smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635955 719143685 /nfs/dbraw/zinc/14/36/85/719143685.db2.gz XSEVHCNBKTZTAN-YIXXDRMTSA-N 1 1 461.610 2.587 20 0 JFADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@H+]4CC[C@H](CO)C4)C[C@@H]3O2)n1 ZINC001164648076 719300013 /nfs/dbraw/zinc/30/00/13/719300013.db2.gz FTNYLNMEDAGGLY-GPHNJDIKSA-N 1 1 498.628 2.928 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)CC1 ZINC001164647468 719313160 /nfs/dbraw/zinc/31/31/60/719313160.db2.gz BPOILLWZAJZXQO-UHFFFAOYSA-N 1 1 455.607 2.658 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164655240 719324758 /nfs/dbraw/zinc/32/47/58/719324758.db2.gz PDODAQMBRGNOPJ-YMVVMYQSSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21 ZINC001164655240 719324760 /nfs/dbraw/zinc/32/47/60/719324760.db2.gz PDODAQMBRGNOPJ-YMVVMYQSSA-N 1 1 461.610 2.935 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nccc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663890 719356531 /nfs/dbraw/zinc/35/65/31/719356531.db2.gz IHAOAFJKGMPDHR-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO C[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@H]21 ZINC001164667855 719439397 /nfs/dbraw/zinc/43/93/97/719439397.db2.gz HWNVXOOPPLUORQ-RPBOFIJWSA-N 1 1 478.618 2.992 20 0 JFADMO O=C([C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164677979 719558742 /nfs/dbraw/zinc/55/87/42/719558742.db2.gz UPYPMCFSYBILJM-HSZRJFAPSA-N 1 1 459.594 2.666 20 0 JFADMO O=C([C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164677979 719558748 /nfs/dbraw/zinc/55/87/48/719558748.db2.gz UPYPMCFSYBILJM-HSZRJFAPSA-N 1 1 459.594 2.666 20 0 JFADMO C(c1nnc2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2)N1CCOCC1 ZINC001164681248 719585894 /nfs/dbraw/zinc/58/58/94/719585894.db2.gz WJFKRTDNQCRJMP-UHFFFAOYSA-N 1 1 494.669 2.610 20 0 JFADMO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4c3CCNC4)CC2)c2ccccc21 ZINC001164680285 719660397 /nfs/dbraw/zinc/66/03/97/719660397.db2.gz DUXBNYNIWSDFMT-SFHVURJKSA-N 1 1 483.060 2.869 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164703964 719818418 /nfs/dbraw/zinc/81/84/18/719818418.db2.gz WNGDBDFIYNKKAJ-ICTDUYRTSA-N 1 1 498.631 2.773 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164703964 719818419 /nfs/dbraw/zinc/81/84/19/719818419.db2.gz WNGDBDFIYNKKAJ-ICTDUYRTSA-N 1 1 498.631 2.773 20 0 JFADMO CCOc1cc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2cc1OCC ZINC001164700609 719855137 /nfs/dbraw/zinc/85/51/37/719855137.db2.gz IGSQMVWUDBYUQR-BXKMTCNYSA-N 1 1 458.559 2.660 20 0 JFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164703387 719857388 /nfs/dbraw/zinc/85/73/88/719857388.db2.gz PQZMHVBCCSTSHL-CJFMBICVSA-N 1 1 467.545 2.851 20 0 JFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164708187 719866098 /nfs/dbraw/zinc/86/60/98/719866098.db2.gz YHORAYIGCLKKTR-IQMFZBJNSA-N 1 1 474.562 2.538 20 0 JFADMO O=C([C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164707527 719913365 /nfs/dbraw/zinc/91/33/65/719913365.db2.gz SRDZWWZNOSPOPX-RBZQAINGSA-N 1 1 462.594 2.893 20 0 JFADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164710330 720051783 /nfs/dbraw/zinc/05/17/83/720051783.db2.gz DZDPPKRBKWKTAC-AVPJRLCVSA-N 1 1 484.604 2.844 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810356 720085727 /nfs/dbraw/zinc/08/57/27/720085727.db2.gz LDRLYLXQZUBLSH-UWJYYQICSA-N 1 1 471.980 2.696 20 0 JFADMO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)c1 ZINC001164709811 720088668 /nfs/dbraw/zinc/08/86/68/720088668.db2.gz GBJQYTKJQOLYNR-UHFFFAOYSA-N 1 1 479.610 2.551 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164716896 720110270 /nfs/dbraw/zinc/11/02/70/720110270.db2.gz LHQBMBHUOCRBEG-GOSISDBHSA-N 1 1 459.978 2.748 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164713610 720140549 /nfs/dbraw/zinc/14/05/49/720140549.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 1 1 492.672 2.975 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164714002 720140671 /nfs/dbraw/zinc/14/06/71/720140671.db2.gz UYGHBKXNFSPWSA-NRFANRHFSA-N 1 1 473.643 2.671 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808198 720147680 /nfs/dbraw/zinc/14/76/80/720147680.db2.gz DWLOOHNHXUYTLE-DFBJGRDBSA-N 1 1 468.554 2.665 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817810 720174039 /nfs/dbraw/zinc/17/40/39/720174039.db2.gz QIMKNWHIBUPJPY-AUSIDOKSSA-N 1 1 450.649 2.733 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CCC2 ZINC001164811442 720214918 /nfs/dbraw/zinc/21/49/18/720214918.db2.gz HWVOVUNMWJYBFU-UHFFFAOYSA-N 1 1 455.941 2.548 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)CCC2 ZINC001164812801 720220623 /nfs/dbraw/zinc/22/06/23/720220623.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 1 1 473.625 2.842 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812847 720230697 /nfs/dbraw/zinc/23/06/97/720230697.db2.gz JCAVOPGZLNERJL-UHFFFAOYSA-N 1 1 477.613 2.823 20 0 JFADMO COc1ccc(OC)c(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)c1 ZINC001164812930 720240188 /nfs/dbraw/zinc/24/01/88/720240188.db2.gz KKPDWYIFMPUPCU-UHFFFAOYSA-N 1 1 464.570 2.968 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817580 720275613 /nfs/dbraw/zinc/27/56/13/720275613.db2.gz DQLAZLNDBGOKDK-GYZWWNDVSA-N 1 1 494.640 2.993 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C2)C1 ZINC001164721903 720286737 /nfs/dbraw/zinc/28/67/37/720286737.db2.gz MPYDQGAFYXABNK-DEOSSOPVSA-N 1 1 471.989 2.652 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C2)C1 ZINC001164721903 720286752 /nfs/dbraw/zinc/28/67/52/720286752.db2.gz MPYDQGAFYXABNK-DEOSSOPVSA-N 1 1 471.989 2.652 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccc(OC)c4)nc4ccccc43)C2)C1 ZINC001164720887 720296616 /nfs/dbraw/zinc/29/66/16/720296616.db2.gz FFBJWOQSLUJRMR-HHHXNRCGSA-N 1 1 475.593 2.970 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccc(OC)c4)nc4ccccc43)C2)C1 ZINC001164720887 720296631 /nfs/dbraw/zinc/29/66/31/720296631.db2.gz FFBJWOQSLUJRMR-HHHXNRCGSA-N 1 1 475.593 2.970 20 0 JFADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164829198 720457105 /nfs/dbraw/zinc/45/71/05/720457105.db2.gz DKPHGOFBKUACMO-JOCHJYFZSA-N 1 1 487.608 2.666 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164837300 720568881 /nfs/dbraw/zinc/56/88/81/720568881.db2.gz LPSDLIHAQCRGJY-DNVJHFABSA-N 1 1 481.645 2.830 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164837771 720606974 /nfs/dbraw/zinc/60/69/74/720606974.db2.gz JIDXZKQPWMKOHN-JAXLGGSGSA-N 1 1 453.591 2.566 20 0 JFADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164740062 720656492 /nfs/dbraw/zinc/65/64/92/720656492.db2.gz PLIGXQOEAMXGNL-NXEZZACHSA-N 1 1 453.721 2.512 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743880 720687002 /nfs/dbraw/zinc/68/70/02/720687002.db2.gz YNUUADSMEHUSIY-HUUCEWRRSA-N 1 1 454.918 2.592 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164841765 720712960 /nfs/dbraw/zinc/71/29/60/720712960.db2.gz WTQFNOWUACKXTK-OAQYLSRUSA-N 1 1 456.612 2.782 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164841764 720713401 /nfs/dbraw/zinc/71/34/01/720713401.db2.gz WTQFNOWUACKXTK-NRFANRHFSA-N 1 1 456.612 2.782 20 0 JFADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737219 720727790 /nfs/dbraw/zinc/72/77/90/720727790.db2.gz BBSNCCMSHJCLOD-GJZGRUSLSA-N 1 1 488.976 2.998 20 0 JFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741665 720801279 /nfs/dbraw/zinc/80/12/79/720801279.db2.gz BPFIKONTIXKOPM-ZIAGYGMSSA-N 1 1 454.865 2.504 20 0 JFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741657 720801305 /nfs/dbraw/zinc/80/13/05/720801305.db2.gz BPFIKONTIXKOPM-KGLIPLIRSA-N 1 1 454.865 2.504 20 0 JFADMO COC[C@]12CCCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164850389 720827138 /nfs/dbraw/zinc/82/71/38/720827138.db2.gz SVJRFZMZJWCMPS-KCVHQNEMSA-N 1 1 474.646 2.902 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738031 720827943 /nfs/dbraw/zinc/82/79/43/720827943.db2.gz DOZKQMCMGPTENF-JAXLGGSGSA-N 1 1 461.570 2.777 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744563 720828598 /nfs/dbraw/zinc/82/85/98/720828598.db2.gz VFFHBEHPZRQNOD-YESZJQIVSA-N 1 1 492.049 3.000 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164741613 720829735 /nfs/dbraw/zinc/82/97/35/720829735.db2.gz NZSLCEOEXDXXHF-NNMXDRDESA-N 1 1 463.586 2.926 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164852548 720840029 /nfs/dbraw/zinc/84/00/29/720840029.db2.gz KRVLPYKJYDQFGW-OFNKIYASSA-N 1 1 472.033 2.862 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748274 720840431 /nfs/dbraw/zinc/84/04/31/720840431.db2.gz SVCNVCYXIOFRPN-SYYKKAFVSA-N 1 1 467.618 2.529 20 0 JFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741225 720841753 /nfs/dbraw/zinc/84/17/53/720841753.db2.gz DUCLNVFEOASIEP-SOUVJXGZSA-N 1 1 455.966 2.935 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@H]2C1 ZINC001164851268 720845653 /nfs/dbraw/zinc/84/56/53/720845653.db2.gz GILAFLBQHXYKNS-RBUKOAKNSA-N 1 1 456.978 2.702 20 0 JFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)no1 ZINC001164740606 720846002 /nfs/dbraw/zinc/84/60/02/720846002.db2.gz DCEOQNFAEGODEU-SVFBPWRDSA-N 1 1 462.558 2.601 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001164739517 720847016 /nfs/dbraw/zinc/84/70/16/720847016.db2.gz AVRLSXKWRXRTNE-WPFOTENUSA-N 1 1 463.630 2.925 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741866 720847977 /nfs/dbraw/zinc/84/79/77/720847977.db2.gz FTRKCDQMFOPHDJ-FUDKSRODSA-N 1 1 473.581 2.886 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164746628 720849428 /nfs/dbraw/zinc/84/94/28/720849428.db2.gz PRHPGXKWXGJEGP-RZUBCFFCSA-N 1 1 487.674 2.519 20 0 JFADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743566 720849722 /nfs/dbraw/zinc/84/97/22/720849722.db2.gz JFRLZQYMNBMLSS-BRWVUGGUSA-N 1 1 453.925 2.568 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164748282 720849887 /nfs/dbraw/zinc/84/98/87/720849887.db2.gz SVQOUZDNEHSNTJ-XKCSPQBFSA-N 1 1 487.674 2.519 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@@H]2C1 ZINC001164862227 720872800 /nfs/dbraw/zinc/87/28/00/720872800.db2.gz RKGFIBMDVKNICG-SJORKVTESA-N 1 1 453.921 2.910 20 0 JFADMO NC(=O)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755461 720874756 /nfs/dbraw/zinc/87/47/56/720874756.db2.gz XHYYAMSWQUUPFT-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755827 720875246 /nfs/dbraw/zinc/87/52/46/720875246.db2.gz ZBKBARBIOVOIGB-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749944 720881651 /nfs/dbraw/zinc/88/16/51/720881651.db2.gz IEDIFCCWXFJMEZ-NLFFAJNJSA-N 1 1 498.653 2.920 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164757852 720886728 /nfs/dbraw/zinc/88/67/28/720886728.db2.gz VWBZVTRTZVEKCH-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO COC(=O)Cc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753954 720887080 /nfs/dbraw/zinc/88/70/80/720887080.db2.gz HXRGAKAYRAGDTC-GJZUVCINSA-N 1 1 450.583 2.947 20 0 JFADMO CCOC(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758842 720887746 /nfs/dbraw/zinc/88/77/46/720887746.db2.gz ZVHFNWPYMFUWPX-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756520 720896371 /nfs/dbraw/zinc/89/63/71/720896371.db2.gz PYDMTCFPPAVKIP-RCZVLFRGSA-N 1 1 485.654 2.530 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756519 720896720 /nfs/dbraw/zinc/89/67/20/720896720.db2.gz PYDMTCFPPAVKIP-DHLKQENFSA-N 1 1 485.654 2.530 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164756321 720897910 /nfs/dbraw/zinc/89/79/10/720897910.db2.gz PSDCFZXNKJEYSS-YWEHKCAJSA-N 1 1 489.620 2.881 20 0 JFADMO CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753229 720910276 /nfs/dbraw/zinc/91/02/76/720910276.db2.gz RACHCALWLKGQCY-RCZVLFRGSA-N 1 1 485.654 2.530 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750908 720910333 /nfs/dbraw/zinc/91/03/33/720910333.db2.gz LCGSNURLSBXPAR-BVAGGSTKSA-N 1 1 499.681 2.918 20 0 JFADMO CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754604 720923132 /nfs/dbraw/zinc/92/31/32/720923132.db2.gz WECYMQKSICEYQB-ZEQKJWHPSA-N 1 1 465.598 2.865 20 0 JFADMO NC(=S)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754249 720926793 /nfs/dbraw/zinc/92/67/93/720926793.db2.gz VHXHGYIFPCZYCM-YKSBVNFPSA-N 1 1 452.628 2.887 20 0 JFADMO NC(=O)c1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754984 720931262 /nfs/dbraw/zinc/93/12/62/720931262.db2.gz XSLNIBZBEHHGTP-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164757364 721016814 /nfs/dbraw/zinc/01/68/14/721016814.db2.gz DMRUMLNGBFTKTM-FOVJLYNBSA-N 1 1 465.598 2.592 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164759102 721020565 /nfs/dbraw/zinc/02/05/65/721020565.db2.gz KPBQBWMWSRPZIH-NIYJGHKDSA-N 1 1 498.631 2.978 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164759102 721020574 /nfs/dbraw/zinc/02/05/74/721020574.db2.gz KPBQBWMWSRPZIH-NIYJGHKDSA-N 1 1 498.631 2.978 20 0 JFADMO O=C(c1cccnc1N1CCc2[nH+]cc(Cn3cccn3)n2CC1)N1CCN(Cc2ccccc2)CC1 ZINC001164861073 721032046 /nfs/dbraw/zinc/03/20/46/721032046.db2.gz AHUOOVQPHMBNFT-UHFFFAOYSA-N 1 1 496.619 2.544 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868362 721045483 /nfs/dbraw/zinc/04/54/83/721045483.db2.gz OFPDMLJYYJSVCY-UXHICEINSA-N 1 1 472.549 2.934 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867946 721048853 /nfs/dbraw/zinc/04/88/53/721048853.db2.gz LEBRBHAPWBDXSX-CVEARBPZSA-N 1 1 467.904 2.726 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164868148 721066165 /nfs/dbraw/zinc/06/61/65/721066165.db2.gz NDMQUQUCQVRMRE-HOTGVXAUSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866198 721076245 /nfs/dbraw/zinc/07/62/45/721076245.db2.gz SAECLJROTKXAHD-CVEARBPZSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865679 721082355 /nfs/dbraw/zinc/08/23/55/721082355.db2.gz OGAYQWDFYHZFKS-HOTGVXAUSA-N 1 1 452.889 2.941 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164766440 721084620 /nfs/dbraw/zinc/08/46/20/721084620.db2.gz KHHZGYWSSHVMNN-NHCUHLMSSA-N 1 1 491.621 2.669 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864912 721087424 /nfs/dbraw/zinc/08/74/24/721087424.db2.gz HIEPJALVESZSRW-HZPDHXFCSA-N 1 1 463.991 2.903 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164865571 721088214 /nfs/dbraw/zinc/08/82/14/721088214.db2.gz NCBZNZSGAXBDEO-MQSCRBSSSA-N 1 1 477.613 2.831 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)OCC ZINC001164866347 721089065 /nfs/dbraw/zinc/08/90/65/721089065.db2.gz SODBSDSUVWOYOL-OALUTQOASA-N 1 1 461.994 2.946 20 0 JFADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864566 721090461 /nfs/dbraw/zinc/09/04/61/721090461.db2.gz GHXDQNQCBZIKAW-WOJBJXKFSA-N 1 1 464.570 2.853 20 0 JFADMO Cc1cc2c(ncnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772706 721094389 /nfs/dbraw/zinc/09/43/89/721094389.db2.gz VWBURWQRYRAFSD-LEWJYISDSA-N 1 1 491.621 2.669 20 0 JFADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164865370 721107030 /nfs/dbraw/zinc/10/70/30/721107030.db2.gz KLTUOJGNCIRVCI-DHIUTWEWSA-N 1 1 472.597 2.799 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C[C@@H]3C2)cn1 ZINC001164774065 721127916 /nfs/dbraw/zinc/12/79/16/721127916.db2.gz ZUODLXPRUWZHHA-FGTMMUONSA-N 1 1 456.982 2.871 20 0 JFADMO CN(C)C(=O)c1cc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764916 721134650 /nfs/dbraw/zinc/13/46/50/721134650.db2.gz ILPXPPMRRVBFMX-TZIWHRDSSA-N 1 1 476.629 2.940 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ncn3)CC2)cc1 ZINC001164875523 721167627 /nfs/dbraw/zinc/16/76/27/721167627.db2.gz LUSLGFPNYPISEO-DQEYMECFSA-N 1 1 471.609 2.678 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@H]3C2)cn1 ZINC001164770097 721217862 /nfs/dbraw/zinc/21/78/62/721217862.db2.gz NAGPVYFMMNLUGV-QZTJIDSGSA-N 1 1 488.564 2.852 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@H]3C2)cn1 ZINC001164770099 721217885 /nfs/dbraw/zinc/21/78/85/721217885.db2.gz NAGPVYFMMNLUGV-ZWKOTPCHSA-N 1 1 488.564 2.852 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)C1 ZINC001164868590 721272641 /nfs/dbraw/zinc/27/26/41/721272641.db2.gz DFSUOFYVUFOFKO-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccccn4)nc4ccccc43)CC2)C1 ZINC001164875548 721285525 /nfs/dbraw/zinc/28/55/25/721285525.db2.gz WWIQISJJGOMKOB-UHFFFAOYSA-N 1 1 460.582 2.699 20 0 JFADMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880658 721321430 /nfs/dbraw/zinc/32/14/30/721321430.db2.gz YVHFXAIQXOEBAV-NOOLENRPSA-N 1 1 484.604 2.844 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)nc1 ZINC001164877232 721323900 /nfs/dbraw/zinc/32/39/00/721323900.db2.gz KLVAMYALCSZGOJ-CNIHBODFSA-N 1 1 450.587 2.832 20 0 JFADMO O=C(COC[C@@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCCC1 ZINC001164875384 721334665 /nfs/dbraw/zinc/33/46/65/721334665.db2.gz KRNUWQNZBSRKQO-UFHPHHKVSA-N 1 1 476.621 2.732 20 0 JFADMO COCCn1ccc2c1ncnc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777346 721353761 /nfs/dbraw/zinc/35/37/61/721353761.db2.gz GKENZWIIQUPCDP-XMMPIXPASA-N 1 1 454.575 2.802 20 0 JFADMO O=C1CO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881556 721363841 /nfs/dbraw/zinc/36/38/41/721363841.db2.gz DTJJYWJLMOBJCV-RPWUZVMVSA-N 1 1 459.525 2.795 20 0 JFADMO O=C1CO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881556 721363848 /nfs/dbraw/zinc/36/38/48/721363848.db2.gz DTJJYWJLMOBJCV-RPWUZVMVSA-N 1 1 459.525 2.795 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)C1 ZINC001164780054 721366316 /nfs/dbraw/zinc/36/63/16/721366316.db2.gz CUDYVVQVCZFPGK-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)C1 ZINC001164780054 721366320 /nfs/dbraw/zinc/36/63/20/721366320.db2.gz CUDYVVQVCZFPGK-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164781458 721373711 /nfs/dbraw/zinc/37/37/11/721373711.db2.gz JUHJGSCYBHIZPC-DEOSSOPVSA-N 1 1 458.559 2.609 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164781458 721373717 /nfs/dbraw/zinc/37/37/17/721373717.db2.gz JUHJGSCYBHIZPC-DEOSSOPVSA-N 1 1 458.559 2.609 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164781949 721379629 /nfs/dbraw/zinc/37/96/29/721379629.db2.gz KZNVANTYJNKTIU-DNRSQYFGSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164781949 721379635 /nfs/dbraw/zinc/37/96/35/721379635.db2.gz KZNVANTYJNKTIU-DNRSQYFGSA-N 1 1 484.604 2.844 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164887865 721381256 /nfs/dbraw/zinc/38/12/56/721381256.db2.gz ISXILLDCJHBWCF-HOYKHHGWSA-N 1 1 473.643 2.942 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886680 721381958 /nfs/dbraw/zinc/38/19/58/721381958.db2.gz FLLTXLURETUMLC-NFQMXDRXSA-N 1 1 492.624 2.825 20 0 JFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884299 721385048 /nfs/dbraw/zinc/38/50/48/721385048.db2.gz AADQZBFBUCMRNG-FDDCHVKYSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891361 721400397 /nfs/dbraw/zinc/40/03/97/721400397.db2.gz VMMMTZWHFDHJKQ-MBSDFSHPSA-N 1 1 451.011 2.986 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883539 721404249 /nfs/dbraw/zinc/40/42/49/721404249.db2.gz APRULXQBZOYFPD-HRAATJIYSA-N 1 1 472.964 2.832 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888360 721411076 /nfs/dbraw/zinc/41/10/76/721411076.db2.gz OLEPJPWUPUAKCA-AOMKIAJQSA-N 1 1 484.066 2.794 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164887134 721412492 /nfs/dbraw/zinc/41/24/92/721412492.db2.gz LBQIIASIWTYONG-UQBPGWFLSA-N 1 1 455.603 2.721 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782765 721423831 /nfs/dbraw/zinc/42/38/31/721423831.db2.gz HXAYIWASIVEGSA-QZTJIDSGSA-N 1 1 466.592 2.693 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888897 721425291 /nfs/dbraw/zinc/42/52/91/721425291.db2.gz BDDBDWBFTKTRHH-WXVAWEFUSA-N 1 1 480.657 2.781 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164898375 721426100 /nfs/dbraw/zinc/42/61/00/721426100.db2.gz VUIMRDLAXAMEBE-SIBVEZHUSA-N 1 1 487.645 2.618 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164891507 721429583 /nfs/dbraw/zinc/42/95/83/721429583.db2.gz GUIXBPPWCBZYDA-DYESRHJHSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)C[C@H](c1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1)C1CC1 ZINC001164891562 721431872 /nfs/dbraw/zinc/43/18/72/721431872.db2.gz GWJDZSIVYKSXTM-UMFSSWHCSA-N 1 1 456.631 2.904 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164895817 721433491 /nfs/dbraw/zinc/43/34/91/721433491.db2.gz QADNONGRZHYGOK-IERDGZPVSA-N 1 1 472.964 2.832 20 0 JFADMO CC1CCN(C(=O)c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2)CC1 ZINC001164898594 721433790 /nfs/dbraw/zinc/43/37/90/721433790.db2.gz WEJNDIBNYVMRGZ-JYFHCDHNSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)O2)CC1 ZINC001164896155 721436453 /nfs/dbraw/zinc/43/64/53/721436453.db2.gz QSJCVGHHFZXADN-KKSFZXQISA-N 1 1 455.981 2.929 20 0 JFADMO COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c2ccccc2c1OC ZINC001164900001 721441991 /nfs/dbraw/zinc/44/19/91/721441991.db2.gz ZYNSHKNNAADYKW-AFMDSPMNSA-N 1 1 468.598 2.795 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C3)O2)CC1 ZINC001164897049 721444294 /nfs/dbraw/zinc/44/42/94/721444294.db2.gz SJDSIAXHGQSVEM-LEAFIULHSA-N 1 1 492.668 2.746 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(Cl)n1 ZINC001164898485 721447692 /nfs/dbraw/zinc/44/76/92/721447692.db2.gz VZXBBNSXOCANMT-OXJNMPFZSA-N 1 1 458.985 2.506 20 0 JFADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CNCC3)CC2 ZINC001164785974 721449203 /nfs/dbraw/zinc/44/92/03/721449203.db2.gz KPWAJUUGMJWYRZ-GOSISDBHSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CNCC3)CC2 ZINC001164785974 721449291 /nfs/dbraw/zinc/44/92/91/721449291.db2.gz KPWAJUUGMJWYRZ-GOSISDBHSA-N 1 1 450.027 2.510 20 0 JFADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788714 721454658 /nfs/dbraw/zinc/45/46/58/721454658.db2.gz SVHMKNHDRQEXLO-LJQANCHMSA-N 1 1 471.602 2.869 20 0 JFADMO CCOC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)c12 ZINC001164788714 721454661 /nfs/dbraw/zinc/45/46/61/721454661.db2.gz SVHMKNHDRQEXLO-LJQANCHMSA-N 1 1 471.602 2.869 20 0 JFADMO CCOC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788714 721454665 /nfs/dbraw/zinc/45/46/65/721454665.db2.gz SVHMKNHDRQEXLO-LJQANCHMSA-N 1 1 471.602 2.869 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)c2)CC1 ZINC001164895116 721479447 /nfs/dbraw/zinc/47/94/47/721479447.db2.gz RBUMXXQQELTONZ-DNVFCKCGSA-N 1 1 460.594 2.604 20 0 JFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900192 721495411 /nfs/dbraw/zinc/49/54/11/721495411.db2.gz NDAJCVWISHXLKC-SESVDKBCSA-N 1 1 450.616 2.898 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164804579 721550577 /nfs/dbraw/zinc/55/05/77/721550577.db2.gz KLULNBKFWHEULP-JBRSBNLGSA-N 1 1 458.566 2.626 20 0 JFADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904627 721552498 /nfs/dbraw/zinc/55/24/98/721552498.db2.gz DZJVINFESPGYLA-FPOVZHCZSA-N 1 1 453.566 2.553 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905311 721555747 /nfs/dbraw/zinc/55/57/47/721555747.db2.gz GPZDICCDHXSRTE-FPOVZHCZSA-N 1 1 462.591 2.887 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(=O)OCC ZINC001164907000 721567627 /nfs/dbraw/zinc/56/76/27/721567627.db2.gz LTZCWGWFYGTXCP-HKUYNNGSSA-N 1 1 457.502 2.916 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)C1=O ZINC001164809291 721573078 /nfs/dbraw/zinc/57/30/78/721573078.db2.gz WGLDJKAAHWICQG-BJLQDIEVSA-N 1 1 456.978 2.757 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)C1=O ZINC001164809291 721573083 /nfs/dbraw/zinc/57/30/83/721573083.db2.gz WGLDJKAAHWICQG-BJLQDIEVSA-N 1 1 456.978 2.757 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1=O ZINC001164901330 721575159 /nfs/dbraw/zinc/57/51/59/721575159.db2.gz DYJVWPWETGRCDL-WMZOPIPTSA-N 1 1 455.628 2.707 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@H]2C1=O ZINC001164902939 721575275 /nfs/dbraw/zinc/57/52/75/721575275.db2.gz NPXHBAQOVIJHIA-YQVWRLOYSA-N 1 1 469.655 2.953 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C1=O ZINC001164904067 721576065 /nfs/dbraw/zinc/57/60/65/721576065.db2.gz UJMDAAUXIRNXBO-ZWKOTPCHSA-N 1 1 451.596 2.961 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805032 721577410 /nfs/dbraw/zinc/57/74/10/721577410.db2.gz KCNBRYAHWXAOCY-WMTXJRDZSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805032 721577411 /nfs/dbraw/zinc/57/74/11/721577411.db2.gz KCNBRYAHWXAOCY-WMTXJRDZSA-N 1 1 471.627 2.519 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)C1 ZINC001164801824 721579829 /nfs/dbraw/zinc/57/98/29/721579829.db2.gz FWYNZOLHJPVAPN-HXKBJWFLSA-N 1 1 480.613 2.519 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164804138 721580643 /nfs/dbraw/zinc/58/06/43/721580643.db2.gz IYPZQSWLHCHWOI-WPFOTENUSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164804138 721580645 /nfs/dbraw/zinc/58/06/45/721580645.db2.gz IYPZQSWLHCHWOI-WPFOTENUSA-N 1 1 473.643 2.812 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806829 721580986 /nfs/dbraw/zinc/58/09/86/721580986.db2.gz NBVYRIIAAAYRTP-AOHZBQACSA-N 1 1 473.643 2.669 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164806829 721580988 /nfs/dbraw/zinc/58/09/88/721580988.db2.gz NBVYRIIAAAYRTP-AOHZBQACSA-N 1 1 473.643 2.669 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810207 721590251 /nfs/dbraw/zinc/59/02/51/721590251.db2.gz VCUJHEVSMNYZJP-OFQRWUPVSA-N 1 1 452.342 2.833 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810207 721590252 /nfs/dbraw/zinc/59/02/52/721590252.db2.gz VCUJHEVSMNYZJP-OFQRWUPVSA-N 1 1 452.342 2.833 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810205 721590418 /nfs/dbraw/zinc/59/04/18/721590418.db2.gz VCUJHEVSMNYZJP-IJEWVQPXSA-N 1 1 452.342 2.833 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810205 721590419 /nfs/dbraw/zinc/59/04/19/721590419.db2.gz VCUJHEVSMNYZJP-IJEWVQPXSA-N 1 1 452.342 2.833 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C(=O)OCC ZINC001164804214 721591115 /nfs/dbraw/zinc/59/11/15/721591115.db2.gz JCWNHFUFQKEYNB-RZUBCFFCSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C(=O)OCC ZINC001164804214 721591118 /nfs/dbraw/zinc/59/11/18/721591118.db2.gz JCWNHFUFQKEYNB-RZUBCFFCSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C(=O)OCC ZINC001164804217 721591191 /nfs/dbraw/zinc/59/11/91/721591191.db2.gz JCWNHFUFQKEYNB-URVUXULASA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C(=O)OCC ZINC001164804217 721591192 /nfs/dbraw/zinc/59/11/92/721591192.db2.gz JCWNHFUFQKEYNB-URVUXULASA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1C(=O)OCC ZINC001164806910 721591217 /nfs/dbraw/zinc/59/12/17/721591217.db2.gz NQEPPTOTJXVSDC-FUDKSRODSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1C(=O)OCC ZINC001164806910 721591219 /nfs/dbraw/zinc/59/12/19/721591219.db2.gz NQEPPTOTJXVSDC-FUDKSRODSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C(=O)OCC ZINC001164804209 721591224 /nfs/dbraw/zinc/59/12/24/721591224.db2.gz JCWNHFUFQKEYNB-JAXLGGSGSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C(=O)OCC ZINC001164804209 721591226 /nfs/dbraw/zinc/59/12/26/721591226.db2.gz JCWNHFUFQKEYNB-JAXLGGSGSA-N 1 1 468.554 2.698 20 0 JFADMO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164801409 721593957 /nfs/dbraw/zinc/59/39/57/721593957.db2.gz QYYBNBKNNQBPGU-AREMUKBSSA-N 1 1 491.617 2.735 20 0 JFADMO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164801409 721593959 /nfs/dbraw/zinc/59/39/59/721593959.db2.gz QYYBNBKNNQBPGU-AREMUKBSSA-N 1 1 491.617 2.735 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)c2c1C ZINC001164796083 721596271 /nfs/dbraw/zinc/59/62/71/721596271.db2.gz BOMHNGVOMXYJTQ-UFYCRDLUSA-N 1 1 485.654 2.889 20 0 JFADMO Cc1cccc(CN2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@H]3C2=O)n1 ZINC001164800814 721603279 /nfs/dbraw/zinc/60/32/79/721603279.db2.gz OQXCCILHDCREMC-DNQXCXABSA-N 1 1 465.598 2.512 20 0 JFADMO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164799830 721606195 /nfs/dbraw/zinc/60/61/95/721606195.db2.gz CEVSMYWUOIWERM-HHHXNRCGSA-N 1 1 471.609 2.878 20 0 JFADMO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164799830 721606197 /nfs/dbraw/zinc/60/61/97/721606197.db2.gz CEVSMYWUOIWERM-HHHXNRCGSA-N 1 1 471.609 2.878 20 0 JFADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C(=O)OCC ZINC001164908403 721695106 /nfs/dbraw/zinc/69/51/06/721695106.db2.gz YXKNKODWFMJAGW-QHCPKHFHSA-N 1 1 489.523 2.963 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906013 721695185 /nfs/dbraw/zinc/69/51/85/721695185.db2.gz KWJAKFLJMYACQO-FQEVSTJZSA-N 1 1 464.542 2.903 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906016 721695828 /nfs/dbraw/zinc/69/58/28/721695828.db2.gz KWJAKFLJMYACQO-HXUWFJFHSA-N 1 1 464.542 2.903 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001165013093 721750771 /nfs/dbraw/zinc/75/07/71/721750771.db2.gz UDZWRYGLRAMTSI-UHFFFAOYSA-N 1 1 458.966 2.894 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnn(C)c4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001165013913 721757646 /nfs/dbraw/zinc/75/76/46/721757646.db2.gz UWGFKBIQIGAGJE-CNNODRBYSA-N 1 1 495.653 2.804 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909592 721757872 /nfs/dbraw/zinc/75/78/72/721757872.db2.gz JFONGUMGSMGRMC-UHFFFAOYSA-N 1 1 492.580 2.673 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909592 721757873 /nfs/dbraw/zinc/75/78/73/721757873.db2.gz JFONGUMGSMGRMC-UHFFFAOYSA-N 1 1 492.580 2.673 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165014825 721763031 /nfs/dbraw/zinc/76/30/31/721763031.db2.gz JWGJKRADVRZXJA-URHOCTSQSA-N 1 1 472.630 2.511 20 0 JFADMO COc1cccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915216 721781933 /nfs/dbraw/zinc/78/19/33/721781933.db2.gz KKDBYXJZAOGYBI-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cccc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915216 721781935 /nfs/dbraw/zinc/78/19/35/721781935.db2.gz KKDBYXJZAOGYBI-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164915149 721784654 /nfs/dbraw/zinc/78/46/54/721784654.db2.gz IPUKKOVSYYNGLU-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164915149 721784655 /nfs/dbraw/zinc/78/46/55/721784655.db2.gz IPUKKOVSYYNGLU-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165017576 721795444 /nfs/dbraw/zinc/79/54/44/721795444.db2.gz GFGXLBHRGFXVEV-IZZNHLLZSA-N 1 1 485.588 2.660 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165017576 721795454 /nfs/dbraw/zinc/79/54/54/721795454.db2.gz GFGXLBHRGFXVEV-IZZNHLLZSA-N 1 1 485.588 2.660 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1=O ZINC001164922025 721844023 /nfs/dbraw/zinc/84/40/23/721844023.db2.gz PSXPVTIHWQYNFO-MOPGFXCFSA-N 1 1 473.643 2.604 20 0 JFADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001165034245 721875497 /nfs/dbraw/zinc/87/54/97/721875497.db2.gz IEBHJHJGZQBLEY-KRWDZBQOSA-N 1 1 471.627 2.670 20 0 JFADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001165034983 721875890 /nfs/dbraw/zinc/87/58/90/721875890.db2.gz RNRFDSXSXLRJKY-WBVHZDCISA-N 1 1 471.627 2.670 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939664 721928652 /nfs/dbraw/zinc/92/86/52/721928652.db2.gz NRJIKSQHVXLUOF-UHFFFAOYSA-N 1 1 495.624 2.670 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)CC3)C2)cc1 ZINC001164939188 721932732 /nfs/dbraw/zinc/93/27/32/721932732.db2.gz KFQXKPSIPBHDMY-UHFFFAOYSA-N 1 1 450.992 2.562 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)n1 ZINC001164954794 721989695 /nfs/dbraw/zinc/98/96/95/721989695.db2.gz XFFIXGYZBBIPDD-ROUUACIJSA-N 1 1 480.704 2.714 20 0 JFADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccnc(N4CC[NH+](C)CC4)n2)C3)n1 ZINC001164958000 722027496 /nfs/dbraw/zinc/02/74/96/722027496.db2.gz CZXZTMUZUNCUNG-WIOPSUGQSA-N 1 1 452.603 2.524 20 0 JFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962402 722058841 /nfs/dbraw/zinc/05/88/41/722058841.db2.gz RQBUOEXXUKPJBZ-UHFFFAOYSA-N 1 1 465.932 2.893 20 0 JFADMO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1)N1CCCCC1 ZINC001164961685 722059885 /nfs/dbraw/zinc/05/98/85/722059885.db2.gz OBUQGXUZYAZFBU-UHFFFAOYSA-N 1 1 485.654 2.770 20 0 JFADMO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1 ZINC001164963403 722061025 /nfs/dbraw/zinc/06/10/25/722061025.db2.gz YLOLHCOJXYYHRI-UHFFFAOYSA-N 1 1 450.587 2.663 20 0 JFADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2=O)cn1 ZINC001164982442 722095641 /nfs/dbraw/zinc/09/56/41/722095641.db2.gz RDYXQBMHTSAGSD-LPHOPBHVSA-N 1 1 477.638 2.999 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977281 722101777 /nfs/dbraw/zinc/10/17/77/722101777.db2.gz FRRQOTDMBAQOOP-AEFFLSMTSA-N 1 1 481.931 2.974 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983941 722104999 /nfs/dbraw/zinc/10/49/99/722104999.db2.gz RHJUFUFWUZLVCE-IRXDYDNUSA-N 1 1 452.937 2.863 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983943 722105402 /nfs/dbraw/zinc/10/54/02/722105402.db2.gz RHJUFUFWUZLVCE-SJORKVTESA-N 1 1 452.937 2.863 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982852 722105536 /nfs/dbraw/zinc/10/55/36/722105536.db2.gz PNCOLPXCWSSEOS-MOPGFXCFSA-N 1 1 494.974 2.634 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981896 722127064 /nfs/dbraw/zinc/12/70/64/722127064.db2.gz VKDMSFJGAZIKDA-YJBOKZPZSA-N 1 1 456.934 2.520 20 0 JFADMO Cc1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978186 722128192 /nfs/dbraw/zinc/12/81/92/722128192.db2.gz NSVXMTFZVWQOLI-RBBKRZOGSA-N 1 1 480.638 2.959 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164983306 722130524 /nfs/dbraw/zinc/13/05/24/722130524.db2.gz TVIVGUDKPLIMTG-PKOBYXMFSA-N 1 1 453.568 2.990 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981150 722132644 /nfs/dbraw/zinc/13/26/44/722132644.db2.gz ORFVQPLJKBPFJL-CPJSRVTESA-N 1 1 491.548 2.603 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ncn3)CC2)cc1 ZINC001164985412 722149609 /nfs/dbraw/zinc/14/96/09/722149609.db2.gz ZJBUFTOCLZIJCC-RSXGOPAZSA-N 1 1 485.636 2.926 20 0 JFADMO COCCO[C@H]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164998247 722223443 /nfs/dbraw/zinc/22/34/43/722223443.db2.gz HKQJYKIEUUYYBI-RPBOFIJWSA-N 1 1 462.598 2.621 20 0 JFADMO COCCO[C@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164998247 722223445 /nfs/dbraw/zinc/22/34/45/722223445.db2.gz HKQJYKIEUUYYBI-RPBOFIJWSA-N 1 1 462.598 2.621 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)CC1 ZINC001164996988 722231222 /nfs/dbraw/zinc/23/12/22/722231222.db2.gz LLMCJRMRONJSFA-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2CN(Cc2ccccc2)C4)CC3)CC1 ZINC001164997067 722231779 /nfs/dbraw/zinc/23/17/79/722231779.db2.gz NVPYBXFDVBNPBL-UHFFFAOYSA-N 1 1 491.043 2.793 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)CC1 ZINC001164996331 722235111 /nfs/dbraw/zinc/23/51/11/722235111.db2.gz CAQIYDGKOMKAIU-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4ccn(C(=O)c5ccccc5)c4n2)CC3)CC1 ZINC001165001750 722236777 /nfs/dbraw/zinc/23/67/77/722236777.db2.gz LJXNIZSPWLFLMM-UHFFFAOYSA-N 1 1 467.577 2.872 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1C ZINC001165002568 722237274 /nfs/dbraw/zinc/23/72/74/722237274.db2.gz VQHLTJBKMMWVKV-UHFFFAOYSA-N 1 1 481.626 2.632 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccn4)nc4ccccc42)CC3)CC1 ZINC001165001240 722237394 /nfs/dbraw/zinc/23/73/94/722237394.db2.gz FFULIKUPXLEYPX-UHFFFAOYSA-N 1 1 452.566 2.839 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Cc2nc4c(ncnc4Cl)s2)CC3)CC1 ZINC001165005911 722240613 /nfs/dbraw/zinc/24/06/13/722240613.db2.gz WAFFNUYZZSAARH-UHFFFAOYSA-N 1 1 480.976 2.518 20 0 JFADMO CO[C@@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001299739980 1059477129 /nfs/dbraw/zinc/47/71/29/1059477129.db2.gz IYJGMOVVBPCBCJ-GLDPYIMESA-N 1 1 464.655 2.700 20 0 JFADMO CO[C@@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001299739980 1059477135 /nfs/dbraw/zinc/47/71/35/1059477135.db2.gz IYJGMOVVBPCBCJ-GLDPYIMESA-N 1 1 464.655 2.700 20 0 JFADMO Cc1nc(S(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Br)n1C ZINC000380852287 1059490453 /nfs/dbraw/zinc/49/04/53/1059490453.db2.gz CGHPJYLBEMVEBD-SJORKVTESA-N 1 1 453.406 2.634 20 0 JFADMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017527 1059505735 /nfs/dbraw/zinc/50/57/35/1059505735.db2.gz NFSXHTBUQLAYTR-QFIPXVFZSA-N 1 1 453.562 2.568 20 0 JFADMO COCCCn1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1=O ZINC001264293741 1059562564 /nfs/dbraw/zinc/56/25/64/1059562564.db2.gz UHHOVNAJDIAREX-UHFFFAOYSA-N 1 1 452.477 2.647 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001264509958 1059600386 /nfs/dbraw/zinc/60/03/86/1059600386.db2.gz BKCIICGXVSSGMI-JOCHJYFZSA-N 1 1 455.521 2.761 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001264510006 1059600480 /nfs/dbraw/zinc/60/04/80/1059600480.db2.gz CTFGHTNWTKCZBT-PMACEKPBSA-N 1 1 452.640 2.957 20 0 JFADMO Cc1c(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)nnn1-c1cnn(C)c1 ZINC001264538103 1059606249 /nfs/dbraw/zinc/60/62/49/1059606249.db2.gz JWVQFTBCKPOIGH-CQSZACIVSA-N 1 1 454.510 2.514 20 0 JFADMO Cc1c(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)nnn1-c1cnn(C)c1 ZINC001264538103 1059606260 /nfs/dbraw/zinc/60/62/60/1059606260.db2.gz JWVQFTBCKPOIGH-CQSZACIVSA-N 1 1 454.510 2.514 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2ccn(Cc3ccccc3)n2)ccc1F ZINC001264564906 1059615247 /nfs/dbraw/zinc/61/52/47/1059615247.db2.gz KHRBMSBSAJVGMV-UHFFFAOYSA-N 1 1 451.502 2.984 20 0 JFADMO CCCNC(=O)c1cccc(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC001264565116 1059616474 /nfs/dbraw/zinc/61/64/74/1059616474.db2.gz QTCHUGSWJMSTOT-UHFFFAOYSA-N 1 1 456.518 2.879 20 0 JFADMO COC(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC001264643843 1059636004 /nfs/dbraw/zinc/63/60/04/1059636004.db2.gz JVSPQBVVZYJRGM-OAQYLSRUSA-N 1 1 455.942 2.862 20 0 JFADMO CN(C)c1ccc(C2(C(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)CC2)cc1 ZINC001264707759 1059653245 /nfs/dbraw/zinc/65/32/45/1059653245.db2.gz DXBWOBXTQLMZNZ-UHFFFAOYSA-N 1 1 450.583 2.761 20 0 JFADMO COCCn1cc(C(=O)Nc2ccccc2C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)nn1 ZINC001264824878 1059694795 /nfs/dbraw/zinc/69/47/95/1059694795.db2.gz CKCDKNQLUGBSAN-UHFFFAOYSA-N 1 1 451.527 2.752 20 0 JFADMO COCCn1cc(C(=O)Nc2ccccc2C[N@H+]2CCc3cc(OC)c(OC)cc3C2)nn1 ZINC001264824878 1059694806 /nfs/dbraw/zinc/69/48/06/1059694806.db2.gz CKCDKNQLUGBSAN-UHFFFAOYSA-N 1 1 451.527 2.752 20 0 JFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1 ZINC001264953478 1059738162 /nfs/dbraw/zinc/73/81/62/1059738162.db2.gz HAQSPRLQWJDZPV-UHFFFAOYSA-N 1 1 450.568 2.668 20 0 JFADMO Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265064041 1059760348 /nfs/dbraw/zinc/76/03/48/1059760348.db2.gz VSFSJMOCABTWHR-GOSISDBHSA-N 1 1 455.509 2.637 20 0 JFADMO CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1 ZINC001265064071 1059760459 /nfs/dbraw/zinc/76/04/59/1059760459.db2.gz VVLLIGKUYGVRMN-HXUWFJFHSA-N 1 1 452.555 2.664 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnc(Br)c(Cl)c3)CC2)CC1 ZINC001265122124 1059771552 /nfs/dbraw/zinc/77/15/52/1059771552.db2.gz GMXKHJODLFPUMY-UHFFFAOYSA-N 1 1 457.800 2.904 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001265241486 1059803435 /nfs/dbraw/zinc/80/34/35/1059803435.db2.gz XLAJRXALANAHDQ-QPPBQGQZSA-N 1 1 455.624 2.961 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001265241486 1059803456 /nfs/dbraw/zinc/80/34/56/1059803456.db2.gz XLAJRXALANAHDQ-QPPBQGQZSA-N 1 1 455.624 2.961 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001265241487 1059803626 /nfs/dbraw/zinc/80/36/26/1059803626.db2.gz XLAJRXALANAHDQ-ZJSXRUAMSA-N 1 1 455.624 2.961 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001265241487 1059803649 /nfs/dbraw/zinc/80/36/49/1059803649.db2.gz XLAJRXALANAHDQ-ZJSXRUAMSA-N 1 1 455.624 2.961 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001265393553 1059840317 /nfs/dbraw/zinc/84/03/17/1059840317.db2.gz AQUHDIUAJZSEOI-MRXNPFEDSA-N 1 1 459.476 2.622 20 0 JFADMO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393744 1059841036 /nfs/dbraw/zinc/84/10/36/1059841036.db2.gz HKLBZAAMPQBDCL-WOJBJXKFSA-N 1 1 458.628 2.704 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400583 1059843799 /nfs/dbraw/zinc/84/37/99/1059843799.db2.gz UYFBAAHFMISZAV-AVRDEDQJSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400583 1059843826 /nfs/dbraw/zinc/84/38/26/1059843826.db2.gz UYFBAAHFMISZAV-AVRDEDQJSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400585 1059844287 /nfs/dbraw/zinc/84/42/87/1059844287.db2.gz UYFBAAHFMISZAV-PGRDOPGGSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400585 1059844310 /nfs/dbraw/zinc/84/43/10/1059844310.db2.gz UYFBAAHFMISZAV-PGRDOPGGSA-N 1 1 457.596 2.773 20 0 JFADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400702 1059844741 /nfs/dbraw/zinc/84/47/41/1059844741.db2.gz VGBPVAMDGGOMKU-OXJNMPFZSA-N 1 1 454.552 2.937 20 0 JFADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400702 1059844770 /nfs/dbraw/zinc/84/47/70/1059844770.db2.gz VGBPVAMDGGOMKU-OXJNMPFZSA-N 1 1 454.552 2.937 20 0 JFADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400703 1059844837 /nfs/dbraw/zinc/84/48/37/1059844837.db2.gz VGBPVAMDGGOMKU-OXQOHEQNSA-N 1 1 454.552 2.937 20 0 JFADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400703 1059844867 /nfs/dbraw/zinc/84/48/67/1059844867.db2.gz VGBPVAMDGGOMKU-OXQOHEQNSA-N 1 1 454.552 2.937 20 0 JFADMO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412352 1059849859 /nfs/dbraw/zinc/84/98/59/1059849859.db2.gz DMMKRFYTDYLTFA-UZLBHIALSA-N 1 1 451.614 2.820 20 0 JFADMO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001265581253 1059890835 /nfs/dbraw/zinc/89/08/35/1059890835.db2.gz UJHRHWCEDUXYIG-AOMKIAJQSA-N 1 1 450.942 2.627 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC001265681251 1059909920 /nfs/dbraw/zinc/90/99/20/1059909920.db2.gz LTGCBBDMFPKVOB-GOSISDBHSA-N 1 1 457.596 2.539 20 0 JFADMO CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001265828750 1059930605 /nfs/dbraw/zinc/93/06/05/1059930605.db2.gz SSBHSABQQKSOIJ-NRFANRHFSA-N 1 1 458.628 2.936 20 0 JFADMO CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837636 1059934305 /nfs/dbraw/zinc/93/43/05/1059934305.db2.gz ZSUQFSATLAYUDO-GMAHTHKFSA-N 1 1 450.514 2.781 20 0 JFADMO CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837636 1059934328 /nfs/dbraw/zinc/93/43/28/1059934328.db2.gz ZSUQFSATLAYUDO-GMAHTHKFSA-N 1 1 450.514 2.781 20 0 JFADMO C[C@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC001265984548 1059953240 /nfs/dbraw/zinc/95/32/40/1059953240.db2.gz AHPBOBQFYABWNN-KBXCAEBGSA-N 1 1 457.356 2.730 20 0 JFADMO C[C@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC001265984548 1059953266 /nfs/dbraw/zinc/95/32/66/1059953266.db2.gz AHPBOBQFYABWNN-KBXCAEBGSA-N 1 1 457.356 2.730 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC001265984551 1059953461 /nfs/dbraw/zinc/95/34/61/1059953461.db2.gz AHPBOBQFYABWNN-RDTXWAMCSA-N 1 1 457.356 2.730 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC001265984551 1059953478 /nfs/dbraw/zinc/95/34/78/1059953478.db2.gz AHPBOBQFYABWNN-RDTXWAMCSA-N 1 1 457.356 2.730 20 0 JFADMO CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001266229342 1059975540 /nfs/dbraw/zinc/97/55/40/1059975540.db2.gz HSORINAOXLOSTP-WTIAFYNJSA-N 1 1 476.042 2.953 20 0 JFADMO Brc1ccc(-c2nnc(N3CCCOCC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001286267887 1060027632 /nfs/dbraw/zinc/02/76/32/1060027632.db2.gz SGZNPUCPWQLNMH-UHFFFAOYSA-N 1 1 450.381 2.657 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001286842919 1061119392 /nfs/dbraw/zinc/11/93/92/1061119392.db2.gz VMFWYGBWBZEBRE-UHFFFAOYSA-N 1 1 456.639 2.780 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286852183 1061187308 /nfs/dbraw/zinc/18/73/08/1061187308.db2.gz PSCOMWPAURVPBN-FUPPJEDESA-N 1 1 467.662 2.937 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286852415 1061189095 /nfs/dbraw/zinc/18/90/95/1061189095.db2.gz WPANBCUVNOQJJJ-AGILITTLSA-N 1 1 468.646 2.997 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286852973 1061193088 /nfs/dbraw/zinc/19/30/88/1061193088.db2.gz VWNOFVYYKYWJTK-SJLPKXTDSA-N 1 1 460.573 2.934 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001286854633 1061204561 /nfs/dbraw/zinc/20/45/61/1061204561.db2.gz OILMENPNWVXTSX-RBBKRZOGSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@@H+]2CCOCC2(C)C)o1 ZINC001289578267 1061225340 /nfs/dbraw/zinc/22/53/40/1061225340.db2.gz XNXGBJAHOHVJSI-UHFFFAOYSA-N 1 1 457.497 2.851 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[N@H+]2CCOCC2(C)C)o1 ZINC001289578267 1061225362 /nfs/dbraw/zinc/22/53/62/1061225362.db2.gz XNXGBJAHOHVJSI-UHFFFAOYSA-N 1 1 457.497 2.851 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286860276 1061227226 /nfs/dbraw/zinc/22/72/26/1061227226.db2.gz NAIXXKXTKHHXJT-QFIPXVFZSA-N 1 1 460.667 2.816 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286860276 1061227249 /nfs/dbraw/zinc/22/72/49/1061227249.db2.gz NAIXXKXTKHHXJT-QFIPXVFZSA-N 1 1 460.667 2.816 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)o1 ZINC001289600011 1061244218 /nfs/dbraw/zinc/24/42/18/1061244218.db2.gz HBFKZFSHJFQDDU-HXUWFJFHSA-N 1 1 471.650 2.711 20 0 JFADMO Cc1ccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCOCC2)o1 ZINC001289613587 1061255302 /nfs/dbraw/zinc/25/53/02/1061255302.db2.gz UGHDBISKHABEJZ-SFHVURJKSA-N 1 1 460.579 2.672 20 0 JFADMO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)o1 ZINC001289616359 1061256334 /nfs/dbraw/zinc/25/63/34/1061256334.db2.gz ZJZDAXMMJMEHBV-HFTRVMKXSA-N 1 1 450.609 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286868902 1061259005 /nfs/dbraw/zinc/25/90/05/1061259005.db2.gz CHXOWLDTMVOEPF-RCZVLFRGSA-N 1 1 497.688 2.706 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001286870242 1061264389 /nfs/dbraw/zinc/26/43/89/1061264389.db2.gz IIXXTLLSSLMFLA-DENIHFKCSA-N 1 1 454.623 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@H]2C)CC1 ZINC001286871721 1061274905 /nfs/dbraw/zinc/27/49/05/1061274905.db2.gz PHVKVIHIPRBNJP-NFBKMPQASA-N 1 1 487.693 2.766 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@H]2C)CC1 ZINC001286872359 1061278120 /nfs/dbraw/zinc/27/81/20/1061278120.db2.gz UQCPGPWYUJLWMP-UTKZUKDTSA-N 1 1 461.010 2.698 20 0 JFADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(=O)n1C ZINC001289655802 1061278375 /nfs/dbraw/zinc/27/83/75/1061278375.db2.gz SKFFZZQGSFDXDF-NRFANRHFSA-N 1 1 491.640 2.573 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001286872804 1061281753 /nfs/dbraw/zinc/28/17/53/1061281753.db2.gz YJPMGICZMGHKCR-CEMLEFRQSA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001286873389 1061286419 /nfs/dbraw/zinc/28/64/19/1061286419.db2.gz ZNIATKMTGIEYEI-AJTFRIOCSA-N 1 1 498.672 2.898 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286881991 1061308191 /nfs/dbraw/zinc/30/81/91/1061308191.db2.gz HYFVBPZLSGEGFG-UHFFFAOYSA-N 1 1 457.529 2.801 20 0 JFADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)cc1 ZINC001289700603 1061312759 /nfs/dbraw/zinc/31/27/59/1061312759.db2.gz VWGCFOOFDYROOJ-NRFANRHFSA-N 1 1 495.672 2.742 20 0 JFADMO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286884653 1061320399 /nfs/dbraw/zinc/32/03/99/1061320399.db2.gz DTPSCWUBSMQSRE-QFIPXVFZSA-N 1 1 454.619 2.689 20 0 JFADMO Cc1ccc(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001289713447 1061320776 /nfs/dbraw/zinc/32/07/76/1061320776.db2.gz KWPHAVUAMMIIRJ-OAQYLSRUSA-N 1 1 476.647 2.562 20 0 JFADMO Cc1ccc(N2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001289716472 1061323984 /nfs/dbraw/zinc/32/39/84/1061323984.db2.gz MKBAABTUWPCXIU-AREMUKBSSA-N 1 1 484.645 2.821 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289720513 1061326810 /nfs/dbraw/zinc/32/68/10/1061326810.db2.gz DHIVDHHUQGLGHM-MOPGFXCFSA-N 1 1 490.674 2.889 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(O)cc3)C[C@@H]2C)CC1 ZINC001286886100 1061327057 /nfs/dbraw/zinc/32/70/57/1061327057.db2.gz ASGGKSZCRYOBAN-PGRDOPGGSA-N 1 1 454.619 2.513 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001286886281 1061328071 /nfs/dbraw/zinc/32/80/71/1061328071.db2.gz BWIAJCCKCKVRDU-CEMLEFRQSA-N 1 1 460.667 2.815 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3c(C)noc3C)C[C@@H]2C)CC1 ZINC001286886477 1061329255 /nfs/dbraw/zinc/32/92/55/1061329255.db2.gz DSLDYYKMTQKYME-HTAPYJJXSA-N 1 1 471.650 2.703 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3c(C)noc3C)C[C@@H]2C)CC1 ZINC001286886478 1061329449 /nfs/dbraw/zinc/32/94/49/1061329449.db2.gz DSLDYYKMTQKYME-JTSKRJEESA-N 1 1 471.650 2.703 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286886800 1061331541 /nfs/dbraw/zinc/33/15/41/1061331541.db2.gz ITRHWPINZPMXJI-GCJKJVERSA-N 1 1 472.609 2.888 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(F)c3)C[C@H]2C)CC1 ZINC001286886773 1061331688 /nfs/dbraw/zinc/33/16/88/1061331688.db2.gz IMAPZVVXIUNXDI-VGOFRKELSA-N 1 1 490.599 2.922 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cnn(CC(C)C)c3C)C[C@H]2C)CC1 ZINC001286886971 1061331931 /nfs/dbraw/zinc/33/19/31/1061331931.db2.gz LGHSECPKHWLRKZ-HYBUGGRVSA-N 1 1 484.693 2.675 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001289725691 1061333352 /nfs/dbraw/zinc/33/33/52/1061333352.db2.gz IIXJEEXBMQNPJA-GMAHTHKFSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)C[C@H]2C)CC1 ZINC001286887234 1061335208 /nfs/dbraw/zinc/33/52/08/1061335208.db2.gz POQAXBLGMAAEQC-YKSBVNFPSA-N 1 1 481.689 2.970 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001286887420 1061336313 /nfs/dbraw/zinc/33/63/13/1061336313.db2.gz QXZULXYHTKRXNB-YZUZCNPQSA-N 1 1 467.662 2.915 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC3CCC(C(F)(F)F)CC3)C[C@H]2C)CC1 ZINC001286887459 1061336915 /nfs/dbraw/zinc/33/69/15/1061336915.db2.gz RLLIAJZDFSGIIO-FFZSDIPESA-N 1 1 456.557 2.944 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCSCC(C)C)C[C@H]2C)CC1 ZINC001286887704 1061338087 /nfs/dbraw/zinc/33/80/87/1061338087.db2.gz SZPXODKSUCYYIS-DENIHFKCSA-N 1 1 486.690 2.503 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286888147 1061339691 /nfs/dbraw/zinc/33/96/91/1061339691.db2.gz KPDRGXBXMNEXLZ-KDURUIRLSA-N 1 1 488.608 2.553 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735785 1061348297 /nfs/dbraw/zinc/34/82/97/1061348297.db2.gz SSOPUBDXFMVDPQ-HXOBKFHXSA-N 1 1 462.545 2.695 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289737413 1061349843 /nfs/dbraw/zinc/34/98/43/1061349843.db2.gz FCJBDIRYUYWTTK-XLIONFOSSA-N 1 1 467.618 2.581 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001286889842 1061351906 /nfs/dbraw/zinc/35/19/06/1061351906.db2.gz NCQQRKZAQUJWAE-HZPDHXFCSA-N 1 1 478.439 2.825 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCS(C)(=O)=O)cc1C ZINC001289739116 1061352718 /nfs/dbraw/zinc/35/27/18/1061352718.db2.gz HTJZOBFEOHSRFG-QGZVFWFLSA-N 1 1 488.658 2.502 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001286890301 1061353226 /nfs/dbraw/zinc/35/32/26/1061353226.db2.gz PSXLOYABPGJSMM-IBGZPJMESA-N 1 1 478.439 2.825 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001289740747 1061354970 /nfs/dbraw/zinc/35/49/70/1061354970.db2.gz PEZMXAWGYSCVRW-CTNGQTDRSA-N 1 1 481.645 2.935 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001289740778 1061355496 /nfs/dbraw/zinc/35/54/96/1061355496.db2.gz PXDVMXIYXNQBKD-FQEVSTJZSA-N 1 1 481.645 2.936 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001286891928 1061363092 /nfs/dbraw/zinc/36/30/92/1061363092.db2.gz QOFCLGRUKPMELP-QGZVFWFLSA-N 1 1 469.540 2.980 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289746327 1061363675 /nfs/dbraw/zinc/36/36/75/1061363675.db2.gz GWDUVCJMOQUHNH-SFTDATJTSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289746750 1061364527 /nfs/dbraw/zinc/36/45/27/1061364527.db2.gz KKJGNECWAONKRE-IRLDBZIGSA-N 1 1 481.645 2.840 20 0 JFADMO CC(=O)Nc1ccc(CCn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001286892791 1061366801 /nfs/dbraw/zinc/36/68/01/1061366801.db2.gz VYWJLGGDMXJOOS-QHCPKHFHSA-N 1 1 484.645 2.920 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748089 1061367498 /nfs/dbraw/zinc/36/74/98/1061367498.db2.gz WXKJLHFHOPBGED-RADWXHQJSA-N 1 1 480.535 2.848 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289748486 1061369067 /nfs/dbraw/zinc/36/90/67/1061369067.db2.gz RLJLLNSBJMZZAF-UXHICEINSA-N 1 1 455.607 2.681 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001286895217 1061374255 /nfs/dbraw/zinc/37/42/55/1061374255.db2.gz PPHPTFWJOCHYTC-DVECYGJZSA-N 1 1 495.672 2.862 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286900768 1061392866 /nfs/dbraw/zinc/39/28/66/1061392866.db2.gz LBVJTVAIGJBQTN-HTAFUYNTSA-N 1 1 456.639 2.683 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001286900892 1061393298 /nfs/dbraw/zinc/39/32/98/1061393298.db2.gz LXAHDTQYWCFTMG-VNXZQDSDSA-N 1 1 483.661 2.769 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001289773149 1061393972 /nfs/dbraw/zinc/39/39/72/1061393972.db2.gz BIMYSYPYHCMFHB-JOCHJYFZSA-N 1 1 484.645 2.725 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286903414 1061402714 /nfs/dbraw/zinc/40/27/14/1061402714.db2.gz BIJKBNCLAZZWEV-ICSRJNTNSA-N 1 1 482.633 2.541 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289782735 1061406519 /nfs/dbraw/zinc/40/65/19/1061406519.db2.gz LAHOXLLJYCPUER-QHCPKHFHSA-N 1 1 474.009 2.564 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286907476 1061437653 /nfs/dbraw/zinc/43/76/53/1061437653.db2.gz RVOPJKQQDTZDIY-FQEVSTJZSA-N 1 1 461.010 2.814 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286907476 1061437665 /nfs/dbraw/zinc/43/76/65/1061437665.db2.gz RVOPJKQQDTZDIY-FQEVSTJZSA-N 1 1 461.010 2.814 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289802172 1061438951 /nfs/dbraw/zinc/43/89/51/1061438951.db2.gz GRIGOGDINLKWNE-NLFFAJNJSA-N 1 1 454.619 2.988 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286907942 1061439652 /nfs/dbraw/zinc/43/96/52/1061439652.db2.gz GBBFBPIFBXGGPC-AEFFLSMTSA-N 1 1 491.434 2.533 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001289802710 1061440058 /nfs/dbraw/zinc/44/00/58/1061440058.db2.gz NLQABYXXTKWRRZ-SFTDATJTSA-N 1 1 454.619 2.989 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911658 1061464027 /nfs/dbraw/zinc/46/40/27/1061464027.db2.gz HWVQQLKJDJHDGE-DNQXCXABSA-N 1 1 468.646 2.525 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001286911711 1061464893 /nfs/dbraw/zinc/46/48/93/1061464893.db2.gz KQTWJFPMXNWRHY-XMMPIXPASA-N 1 1 497.688 2.544 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286912076 1061466623 /nfs/dbraw/zinc/46/66/23/1061466623.db2.gz JKINQNLIFGYMLD-ABSDTBQOSA-N 1 1 459.664 2.859 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001286913370 1061474286 /nfs/dbraw/zinc/47/42/86/1061474286.db2.gz PRCLPWAWEILFQG-DEOSSOPVSA-N 1 1 478.645 2.767 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001289819400 1061479831 /nfs/dbraw/zinc/47/98/31/1061479831.db2.gz UXZIFRFVTNVPTA-MHZLTWQESA-N 1 1 498.672 2.707 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001289819400 1061479841 /nfs/dbraw/zinc/47/98/41/1061479841.db2.gz UXZIFRFVTNVPTA-MHZLTWQESA-N 1 1 498.672 2.707 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001289819447 1061480018 /nfs/dbraw/zinc/48/00/18/1061480018.db2.gz WIAXJJNIXBZONV-UHFFFAOYSA-N 1 1 494.644 2.526 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001286914345 1061482000 /nfs/dbraw/zinc/48/20/00/1061482000.db2.gz XBKVKXRMUDNOAP-GHTZIAJQSA-N 1 1 460.648 2.536 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)C(C)C)CC1 ZINC001286916097 1061497415 /nfs/dbraw/zinc/49/74/15/1061497415.db2.gz FKCOLKGVDXEPIJ-UHFFFAOYSA-N 1 1 480.455 2.881 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286928545 1061548792 /nfs/dbraw/zinc/54/87/92/1061548792.db2.gz PWWOZMKAHUAFCJ-REWPJTCUSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289869158 1061551758 /nfs/dbraw/zinc/55/17/58/1061551758.db2.gz BCLZXLIZZMHFJN-LJQANCHMSA-N 1 1 472.659 2.834 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001289869156 1061551792 /nfs/dbraw/zinc/55/17/92/1061551792.db2.gz BCLZXLIZZMHFJN-IBGZPJMESA-N 1 1 472.659 2.834 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289878681 1061563265 /nfs/dbraw/zinc/56/32/65/1061563265.db2.gz ISXLPIBHRZFOPI-RTWAWAEBSA-N 1 1 486.686 2.903 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286933919 1061567015 /nfs/dbraw/zinc/56/70/15/1061567015.db2.gz BNXGFUKZQNOELR-DEOSSOPVSA-N 1 1 486.636 2.717 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286934681 1061570337 /nfs/dbraw/zinc/57/03/37/1061570337.db2.gz KKNNUCPZTVXHDP-UHFFFAOYSA-N 1 1 475.037 2.597 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286936018 1061576105 /nfs/dbraw/zinc/57/61/05/1061576105.db2.gz ZSXAMRHGWSPOEP-UHFFFAOYSA-N 1 1 470.647 2.972 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001294097708 1061576815 /nfs/dbraw/zinc/57/68/15/1061576815.db2.gz OPHDSKJDKLDVLV-HXUWFJFHSA-N 1 1 458.582 2.525 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC[N@H+]1CCOC ZINC001294098803 1061578870 /nfs/dbraw/zinc/57/88/70/1061578870.db2.gz KYGFOUVSJDYBCL-DZNIXNCWSA-N 1 1 493.693 2.674 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC[N@H+]1CCOC ZINC001294098807 1061579321 /nfs/dbraw/zinc/57/93/21/1061579321.db2.gz KYGFOUVSJDYBCL-QEYAQHABSA-N 1 1 493.693 2.674 20 0 JFADMO CC(=O)c1cccc(OCC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001294102810 1061583106 /nfs/dbraw/zinc/58/31/06/1061583106.db2.gz BBFMIAFRKQOJDH-UHFFFAOYSA-N 1 1 451.567 2.755 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001294105486 1061587034 /nfs/dbraw/zinc/58/70/34/1061587034.db2.gz YEBUQLYNNFLYOD-UHFFFAOYSA-N 1 1 495.672 2.775 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001289902364 1061588769 /nfs/dbraw/zinc/58/87/69/1061588769.db2.gz QRQSWXHUBJFDOU-NRFANRHFSA-N 1 1 484.645 2.975 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001289902364 1061588784 /nfs/dbraw/zinc/58/87/84/1061588784.db2.gz QRQSWXHUBJFDOU-NRFANRHFSA-N 1 1 484.645 2.975 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294106412 1061588962 /nfs/dbraw/zinc/58/89/62/1061588962.db2.gz LALRGPCNOXCMPX-NRFANRHFSA-N 1 1 490.693 2.948 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294106412 1061588987 /nfs/dbraw/zinc/58/89/87/1061588987.db2.gz LALRGPCNOXCMPX-NRFANRHFSA-N 1 1 490.693 2.948 20 0 JFADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001294112335 1061594574 /nfs/dbraw/zinc/59/45/74/1061594574.db2.gz UGMAVZVPIWEACK-FGZHOGPDSA-N 1 1 457.615 2.841 20 0 JFADMO CCCCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC001294115809 1061597415 /nfs/dbraw/zinc/59/74/15/1061597415.db2.gz LDEGUIRSCCBCGP-HXUWFJFHSA-N 1 1 468.712 2.611 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001289909109 1061598091 /nfs/dbraw/zinc/59/80/91/1061598091.db2.gz LNLCGDUZOGDXBX-KRWDZBQOSA-N 1 1 480.598 2.698 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001286943252 1061600032 /nfs/dbraw/zinc/60/00/32/1061600032.db2.gz ZMHJSCSWJREZMX-INIZCTEOSA-N 1 1 499.479 2.841 20 0 JFADMO CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294120766 1061601278 /nfs/dbraw/zinc/60/12/78/1061601278.db2.gz NKMGTDRCAIQYTM-GHTZIAJQSA-N 1 1 461.632 2.696 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001286944479 1061613778 /nfs/dbraw/zinc/61/37/78/1061613778.db2.gz AQWOKNIKBPWQAX-WMZHIEFXSA-N 1 1 488.608 2.602 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286945240 1061621274 /nfs/dbraw/zinc/62/12/74/1061621274.db2.gz WIOULZVGEYGQOW-UGKGYDQZSA-N 1 1 469.634 2.502 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001294139709 1061626273 /nfs/dbraw/zinc/62/62/73/1061626273.db2.gz OPGSWLQZCSXUSK-LMDOGRNLSA-N 1 1 455.599 2.995 20 0 JFADMO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001294140235 1061627378 /nfs/dbraw/zinc/62/73/78/1061627378.db2.gz ZOONUJOCVKIKTF-QUCCMNQESA-N 1 1 496.703 2.746 20 0 JFADMO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC001294145722 1061631401 /nfs/dbraw/zinc/63/14/01/1061631401.db2.gz JIUNFAUQADQGSS-UHFFFAOYSA-N 1 1 452.393 2.999 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286946261 1061633017 /nfs/dbraw/zinc/63/30/17/1061633017.db2.gz ZJNBXORKMMWDEH-QIJUGHKUSA-N 1 1 491.036 2.817 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CC(F)(F)Br)n1 ZINC001289950552 1061644987 /nfs/dbraw/zinc/64/49/87/1061644987.db2.gz MLRUGPJAMHSHSN-SFHVURJKSA-N 1 1 471.350 2.937 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC001286948063 1061650686 /nfs/dbraw/zinc/65/06/86/1061650686.db2.gz OREFDKRNXWUKCB-SLFFLAALSA-N 1 1 492.665 2.882 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC001286948063 1061650700 /nfs/dbraw/zinc/65/07/00/1061650700.db2.gz OREFDKRNXWUKCB-SLFFLAALSA-N 1 1 492.665 2.882 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948489 1061659613 /nfs/dbraw/zinc/65/96/13/1061659613.db2.gz XWOWULGVDUIKCC-QHCPKHFHSA-N 1 1 484.645 2.629 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001286948722 1061662805 /nfs/dbraw/zinc/66/28/05/1061662805.db2.gz VKXVXCCMTQRRSZ-QHCPKHFHSA-N 1 1 468.646 2.656 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294166582 1061663321 /nfs/dbraw/zinc/66/33/21/1061663321.db2.gz PREAKDDNINLKFT-UHFFFAOYSA-N 1 1 485.677 2.917 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294166582 1061663333 /nfs/dbraw/zinc/66/33/33/1061663333.db2.gz PREAKDDNINLKFT-UHFFFAOYSA-N 1 1 485.677 2.917 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001289971683 1061676372 /nfs/dbraw/zinc/67/63/72/1061676372.db2.gz FTXPGMSUUABSLG-VQTJNVASSA-N 1 1 485.633 2.863 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCCOC(C)C)n1 ZINC001289973273 1061684174 /nfs/dbraw/zinc/68/41/74/1061684174.db2.gz RXCYCJMKQCSXSQ-UHFFFAOYSA-N 1 1 469.634 2.598 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCCOC(C)C)n1 ZINC001289973273 1061684183 /nfs/dbraw/zinc/68/41/83/1061684183.db2.gz RXCYCJMKQCSXSQ-UHFFFAOYSA-N 1 1 469.634 2.598 20 0 JFADMO CCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001294195302 1061702907 /nfs/dbraw/zinc/70/29/07/1061702907.db2.gz AUDKHHPLWRNASX-SIKLNZKXSA-N 1 1 470.618 2.970 20 0 JFADMO CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001286954990 1061707649 /nfs/dbraw/zinc/70/76/49/1061707649.db2.gz RFFHAFLRHLAANV-LJQANCHMSA-N 1 1 495.653 2.507 20 0 JFADMO C[C@H]1C[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@H+]1C ZINC001294202034 1061708450 /nfs/dbraw/zinc/70/84/50/1061708450.db2.gz PQVTWTYKWPDQML-QFBILLFUSA-N 1 1 459.568 2.861 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCNC(=O)C(C)C)n1 ZINC001289985363 1061709718 /nfs/dbraw/zinc/70/97/18/1061709718.db2.gz IXKAHHLLUPJKOL-UHFFFAOYSA-N 1 1 453.616 2.804 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)CC1 ZINC001294207312 1061710801 /nfs/dbraw/zinc/71/08/01/1061710801.db2.gz XAHUYOBPACRHON-UHFFFAOYSA-N 1 1 465.606 2.656 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001294208460 1061710838 /nfs/dbraw/zinc/71/08/38/1061710838.db2.gz DIWJJIOJXGGWHZ-QFIPXVFZSA-N 1 1 454.619 2.878 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001294208860 1061711816 /nfs/dbraw/zinc/71/18/16/1061711816.db2.gz KACASIPKCZYSGD-HXUWFJFHSA-N 1 1 462.664 2.667 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294209295 1061712368 /nfs/dbraw/zinc/71/23/68/1061712368.db2.gz QZIQOLATSINBIF-UHFFFAOYSA-N 1 1 470.666 2.885 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001289987991 1061712806 /nfs/dbraw/zinc/71/28/06/1061712806.db2.gz FVVBRDKWJPVRAV-HKUYNNGSSA-N 1 1 468.524 2.653 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001294209869 1061713806 /nfs/dbraw/zinc/71/38/06/1061713806.db2.gz CCMQCCBZORUTPO-VWLOTQADSA-N 1 1 454.619 2.998 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001294210368 1061714056 /nfs/dbraw/zinc/71/40/56/1061714056.db2.gz KRJROXMEBPCONB-UHFFFAOYSA-N 1 1 469.634 2.501 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289990637 1061714968 /nfs/dbraw/zinc/71/49/68/1061714968.db2.gz BATCGJAZCPQZHY-FCHUYYIVSA-N 1 1 472.634 2.636 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001294210734 1061715862 /nfs/dbraw/zinc/71/58/62/1061715862.db2.gz OHXXHCLAKQCWMX-UHFFFAOYSA-N 1 1 481.645 2.517 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001294211937 1061717182 /nfs/dbraw/zinc/71/71/82/1061717182.db2.gz WPNUSDXPVLPWFQ-OAQYLSRUSA-N 1 1 492.690 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001294212175 1061717764 /nfs/dbraw/zinc/71/77/64/1061717764.db2.gz ZSWXLCCUDANZSX-UHFFFAOYSA-N 1 1 495.672 2.907 20 0 JFADMO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001289997488 1061721075 /nfs/dbraw/zinc/72/10/75/1061721075.db2.gz FVVOTPNCNLRBLL-FCHUYYIVSA-N 1 1 454.619 2.913 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286957967 1061722834 /nfs/dbraw/zinc/72/28/34/1061722834.db2.gz HPWLDWMTGVCRHA-UHFFFAOYSA-N 1 1 483.642 2.655 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001290002688 1061728547 /nfs/dbraw/zinc/72/85/47/1061728547.db2.gz VBUNRLDKLPZUKR-FPOVZHCZSA-N 1 1 462.664 2.921 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286959535 1061729658 /nfs/dbraw/zinc/72/96/58/1061729658.db2.gz XWOOWORRPGFNTO-QHCPKHFHSA-N 1 1 489.045 2.869 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001294219203 1061730216 /nfs/dbraw/zinc/73/02/16/1061730216.db2.gz WMRGDIZTPGDPQE-FQEVSTJZSA-N 1 1 453.595 2.514 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CCC)C(=O)C1 ZINC001294219618 1061731192 /nfs/dbraw/zinc/73/11/92/1061731192.db2.gz ZVDZWYUYGGKXSP-UHFFFAOYSA-N 1 1 456.591 2.854 20 0 JFADMO O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001290007546 1061731282 /nfs/dbraw/zinc/73/12/82/1061731282.db2.gz IJUKRNLDQDLJJD-JOCHJYFZSA-N 1 1 455.427 2.668 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1 ZINC001294223594 1061733626 /nfs/dbraw/zinc/73/36/26/1061733626.db2.gz HUFFZGTXFWVBTE-UHFFFAOYSA-N 1 1 467.574 2.715 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294225065 1061735992 /nfs/dbraw/zinc/73/59/92/1061735992.db2.gz ACAKUQGSOOUKAL-KBMIEXCESA-N 1 1 491.681 2.826 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001294225718 1061737595 /nfs/dbraw/zinc/73/75/95/1061737595.db2.gz GTDUORCNFJKLSL-RBUKOAKNSA-N 1 1 466.627 2.544 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001294227091 1061740443 /nfs/dbraw/zinc/74/04/43/1061740443.db2.gz AAGHEWJLBWAZAN-UHFFFAOYSA-N 1 1 451.575 2.551 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001294227131 1061741073 /nfs/dbraw/zinc/74/10/73/1061741073.db2.gz ATHBPKYSESIIEI-GHTZIAJQSA-N 1 1 461.680 2.523 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001294228659 1061744040 /nfs/dbraw/zinc/74/40/40/1061744040.db2.gz GKEJSIRGJRZQKN-HSALFYBXSA-N 1 1 489.665 2.592 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001294228470 1061744122 /nfs/dbraw/zinc/74/41/22/1061744122.db2.gz GFTMKRDLPNFXLO-UHFFFAOYSA-N 1 1 474.675 2.562 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294228715 1061744754 /nfs/dbraw/zinc/74/47/54/1061744754.db2.gz HWJQJOSHHIHQFD-UHFFFAOYSA-N 1 1 457.545 2.765 20 0 JFADMO COc1ccc(C(=O)NCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC001294239297 1061751344 /nfs/dbraw/zinc/75/13/44/1061751344.db2.gz OPXUTSCTCSYCDD-SANMLTNESA-N 1 1 451.567 2.948 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001290047452 1061767211 /nfs/dbraw/zinc/76/72/11/1061767211.db2.gz RUKMDFFZUYJKPD-LJQANCHMSA-N 1 1 451.575 2.585 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(C)COC2)c1 ZINC001290048299 1061768482 /nfs/dbraw/zinc/76/84/82/1061768482.db2.gz XWPZPDBKESJSNO-UHFFFAOYSA-N 1 1 457.619 2.997 20 0 JFADMO CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294282001 1061773466 /nfs/dbraw/zinc/77/34/66/1061773466.db2.gz WBBOISKVAPLIHL-FCHUYYIVSA-N 1 1 490.674 2.512 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286976391 1061783230 /nfs/dbraw/zinc/78/32/30/1061783230.db2.gz DOVJJWHSNKLTPT-UHFFFAOYSA-N 1 1 486.636 2.814 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286976391 1061783252 /nfs/dbraw/zinc/78/32/52/1061783252.db2.gz DOVJJWHSNKLTPT-UHFFFAOYSA-N 1 1 486.636 2.814 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC(=O)N2CCOCC2)c1 ZINC001290062611 1061785035 /nfs/dbraw/zinc/78/50/35/1061785035.db2.gz AWDLEQXHJASMST-UHFFFAOYSA-N 1 1 484.645 2.581 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290064444 1061789063 /nfs/dbraw/zinc/78/90/63/1061789063.db2.gz QYKNMPHYWPRZOS-HSZRJFAPSA-N 1 1 497.644 2.662 20 0 JFADMO CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC001294303711 1061790711 /nfs/dbraw/zinc/79/07/11/1061790711.db2.gz FMJADWMTUHYQRK-QFIPXVFZSA-N 1 1 470.666 2.573 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294304896 1061792180 /nfs/dbraw/zinc/79/21/80/1061792180.db2.gz CAAQPEBJOFUDES-JOCHJYFZSA-N 1 1 473.666 2.616 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001290069187 1061793181 /nfs/dbraw/zinc/79/31/81/1061793181.db2.gz AUPSCQONXNXVCB-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001290069187 1061793201 /nfs/dbraw/zinc/79/32/01/1061793201.db2.gz AUPSCQONXNXVCB-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294308426 1061795862 /nfs/dbraw/zinc/79/58/62/1061795862.db2.gz KPSWJBGCYMFQNN-DHIUTWEWSA-N 1 1 453.635 2.590 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294308550 1061796696 /nfs/dbraw/zinc/79/66/96/1061796696.db2.gz RFYHSCYZGCTGRO-QFIPXVFZSA-N 1 1 475.682 2.910 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 ZINC001294308967 1061797795 /nfs/dbraw/zinc/79/77/95/1061797795.db2.gz XJXSQLBKHGKVHZ-LJQANCHMSA-N 1 1 490.603 2.967 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001294309359 1061798645 /nfs/dbraw/zinc/79/86/45/1061798645.db2.gz VXIGVHDTWFSVFQ-HBMCJLEFSA-N 1 1 496.722 2.674 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309611 1061799800 /nfs/dbraw/zinc/79/98/00/1061799800.db2.gz CBEQXKWVKIALHN-MOPGFXCFSA-N 1 1 450.653 2.808 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309614 1061800163 /nfs/dbraw/zinc/80/01/63/1061800163.db2.gz CBEQXKWVKIALHN-RTBURBONSA-N 1 1 450.653 2.808 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294310668 1061801455 /nfs/dbraw/zinc/80/14/55/1061801455.db2.gz ISLDIRGPSFHPRG-YADHBBJMSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294310666 1061801553 /nfs/dbraw/zinc/80/15/53/1061801553.db2.gz ISLDIRGPSFHPRG-VXKWHMMOSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294310742 1061801877 /nfs/dbraw/zinc/80/18/77/1061801877.db2.gz JAUOAZZRUOINSC-NHCUHLMSSA-N 1 1 491.706 2.704 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294311677 1061802288 /nfs/dbraw/zinc/80/22/88/1061802288.db2.gz NOSAOIHLZYXCNX-FQEVSTJZSA-N 1 1 456.639 2.790 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311802 1061802603 /nfs/dbraw/zinc/80/26/03/1061802603.db2.gz OSDAYWAZBVOMET-RBBKRZOGSA-N 1 1 496.722 2.735 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312094 1061803103 /nfs/dbraw/zinc/80/31/03/1061803103.db2.gz UBYLFGZRDUJPEZ-FQEVSTJZSA-N 1 1 477.679 2.693 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312322 1061803822 /nfs/dbraw/zinc/80/38/22/1061803822.db2.gz YMFWYXYJUPLJHS-VXKWHMMOSA-N 1 1 487.693 2.967 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001290078021 1061807062 /nfs/dbraw/zinc/80/70/62/1061807062.db2.gz PQJXZIXYJFVROL-QFIPXVFZSA-N 1 1 484.645 2.723 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001290078020 1061807315 /nfs/dbraw/zinc/80/73/15/1061807315.db2.gz PQJXZIXYJFVROL-JOCHJYFZSA-N 1 1 484.645 2.723 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001294315526 1061807310 /nfs/dbraw/zinc/80/73/10/1061807310.db2.gz KCEATAXXNZNBKU-BQJUDKOJSA-N 1 1 467.680 2.839 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001294315673 1061808116 /nfs/dbraw/zinc/80/81/16/1061808116.db2.gz COUPAPPLOSJJAL-FDFHNCONSA-N 1 1 487.693 2.767 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294316536 1061810576 /nfs/dbraw/zinc/81/05/76/1061810576.db2.gz HFHNEODVKCGAPM-OFVILXPXSA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294316534 1061810737 /nfs/dbraw/zinc/81/07/37/1061810737.db2.gz HFHNEODVKCGAPM-BWKNWUBXSA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294316809 1061811443 /nfs/dbraw/zinc/81/14/43/1061811443.db2.gz IBLXNDACHGEMMC-YNJKOYDBSA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294317470 1061814103 /nfs/dbraw/zinc/81/41/03/1061814103.db2.gz KXSDTXRIDLVCTB-RBUKOAKNSA-N 1 1 487.674 2.591 20 0 JFADMO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)C2 ZINC001290085642 1061817386 /nfs/dbraw/zinc/81/73/86/1061817386.db2.gz VYTFKSDFHQHAEQ-LJQANCHMSA-N 1 1 474.675 2.881 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001294318455 1061817502 /nfs/dbraw/zinc/81/75/02/1061817502.db2.gz SAPMIJVSOXYKFH-HXUWFJFHSA-N 1 1 470.618 2.799 20 0 JFADMO Cc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N(C)CC[N@@H+]3CCOC(C)(C)C3)c[nH]c21 ZINC001290087316 1061820620 /nfs/dbraw/zinc/82/06/20/1061820620.db2.gz QPPRQXYYNKJJQX-UHFFFAOYSA-N 1 1 481.645 2.996 20 0 JFADMO Cc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N(C)CC[N@H+]3CCOC(C)(C)C3)c[nH]c21 ZINC001290087316 1061820644 /nfs/dbraw/zinc/82/06/44/1061820644.db2.gz QPPRQXYYNKJJQX-UHFFFAOYSA-N 1 1 481.645 2.996 20 0 JFADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001290091578 1061823371 /nfs/dbraw/zinc/82/33/71/1061823371.db2.gz CILJBJONXHUKKH-OALUTQOASA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOCC1(C)C ZINC001290091578 1061823391 /nfs/dbraw/zinc/82/33/91/1061823391.db2.gz CILJBJONXHUKKH-OALUTQOASA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290095441 1061827504 /nfs/dbraw/zinc/82/75/04/1061827504.db2.gz NPHHDYYAEWKUTA-LEWJYISDSA-N 1 1 454.619 2.753 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290100884 1061829777 /nfs/dbraw/zinc/82/97/77/1061829777.db2.gz HILYFPPQVBGITC-UHFFFAOYSA-N 1 1 474.560 2.857 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290100884 1061829793 /nfs/dbraw/zinc/82/97/93/1061829793.db2.gz HILYFPPQVBGITC-UHFFFAOYSA-N 1 1 474.560 2.857 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCC1(O)CCOCC1 ZINC001290103100 1061832200 /nfs/dbraw/zinc/83/22/00/1061832200.db2.gz JETPVDWRWOZOGF-UHFFFAOYSA-N 1 1 471.646 2.980 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286983237 1061834134 /nfs/dbraw/zinc/83/41/34/1061834134.db2.gz XVYXUXFYSGXABG-YPAWHYETSA-N 1 1 490.693 2.540 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294326088 1061835074 /nfs/dbraw/zinc/83/50/74/1061835074.db2.gz PNHJGBUTBFAVQA-WOJBJXKFSA-N 1 1 471.650 2.905 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294326088 1061835083 /nfs/dbraw/zinc/83/50/83/1061835083.db2.gz PNHJGBUTBFAVQA-WOJBJXKFSA-N 1 1 471.650 2.905 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290108198 1061836659 /nfs/dbraw/zinc/83/66/59/1061836659.db2.gz ZWSBNJRNIAGGSF-HXUWFJFHSA-N 1 1 454.619 2.717 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001294327807 1061843979 /nfs/dbraw/zinc/84/39/79/1061843979.db2.gz XIZFMXGBIBSDNT-XUVXKRRUSA-N 1 1 454.623 2.741 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294328839 1061847621 /nfs/dbraw/zinc/84/76/21/1061847621.db2.gz IBUZHNCAOSDKIA-YPAWHYETSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294328839 1061847638 /nfs/dbraw/zinc/84/76/38/1061847638.db2.gz IBUZHNCAOSDKIA-YPAWHYETSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001294330784 1061850078 /nfs/dbraw/zinc/85/00/78/1061850078.db2.gz AFJIGGXPGHCYIT-DXBBTUNJSA-N 1 1 476.666 2.619 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290127977 1061858124 /nfs/dbraw/zinc/85/81/24/1061858124.db2.gz JWZTWTOOIOZOCM-OAQYLSRUSA-N 1 1 470.618 2.889 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290127977 1061858144 /nfs/dbraw/zinc/85/81/44/1061858144.db2.gz JWZTWTOOIOZOCM-OAQYLSRUSA-N 1 1 470.618 2.889 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCCn2cc[nH+]c2C)C1 ZINC001294332146 1061858231 /nfs/dbraw/zinc/85/82/31/1061858231.db2.gz XSKBHAXATQNWAW-TYPHKJRUSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001290128207 1061859318 /nfs/dbraw/zinc/85/93/18/1061859318.db2.gz ACQTWOSHOSPRFR-UHFFFAOYSA-N 1 1 467.662 2.728 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001290128215 1061859356 /nfs/dbraw/zinc/85/93/56/1061859356.db2.gz AOZVLTVZSCPOJF-QHCPKHFHSA-N 1 1 481.689 2.832 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCNS(C)(=O)=O ZINC001290129254 1061861774 /nfs/dbraw/zinc/86/17/74/1061861774.db2.gz JAEAPLVFOZBNAK-GOSISDBHSA-N 1 1 460.648 2.503 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001290133782 1061868137 /nfs/dbraw/zinc/86/81/37/1061868137.db2.gz VUFZVDAWKJTDFR-UHFFFAOYSA-N 1 1 488.683 2.965 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[NH+]2CCOCC2)C1 ZINC001294338369 1061879996 /nfs/dbraw/zinc/87/99/96/1061879996.db2.gz UDOHHCNXNIMHHO-FQEVSTJZSA-N 1 1 458.607 2.702 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294341583 1061889263 /nfs/dbraw/zinc/88/92/63/1061889263.db2.gz ICDPHSMCXPDJID-FPOVZHCZSA-N 1 1 470.666 2.932 20 0 JFADMO Cc1ccccc1[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001290146706 1061889278 /nfs/dbraw/zinc/88/92/78/1061889278.db2.gz YHEHWBHMMQPNEW-UNMCSNQZSA-N 1 1 475.659 2.797 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)NCc1ccco1 ZINC001290152931 1061895263 /nfs/dbraw/zinc/89/52/63/1061895263.db2.gz NAFISUCXJDJMBO-OYRHEFFESA-N 1 1 480.613 2.632 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)NCc1ccco1 ZINC001290152931 1061895275 /nfs/dbraw/zinc/89/52/75/1061895275.db2.gz NAFISUCXJDJMBO-OYRHEFFESA-N 1 1 480.613 2.632 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290164741 1061905893 /nfs/dbraw/zinc/90/58/93/1061905893.db2.gz WKZKLCXEVOTUQS-HSZRJFAPSA-N 1 1 468.646 2.626 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998370 1061911150 /nfs/dbraw/zinc/91/11/50/1061911150.db2.gz QWDGZRKFRUSEPG-OAQYLSRUSA-N 1 1 480.455 2.926 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001294348883 1061911919 /nfs/dbraw/zinc/91/19/19/1061911919.db2.gz ISXUYXGRISCGKT-NRFANRHFSA-N 1 1 473.666 2.566 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001290171530 1061915745 /nfs/dbraw/zinc/91/57/45/1061915745.db2.gz XPTJCQYAHYZQDF-OAQYLSRUSA-N 1 1 459.660 2.923 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287004211 1061921832 /nfs/dbraw/zinc/92/18/32/1061921832.db2.gz GAGRCIFUSMDUDO-FCHUYYIVSA-N 1 1 489.686 2.594 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C(C)C)CC1 ZINC001290176771 1061925525 /nfs/dbraw/zinc/92/55/25/1061925525.db2.gz OVULJNQWXRUABJ-UHFFFAOYSA-N 1 1 492.672 2.622 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001287006576 1061927070 /nfs/dbraw/zinc/92/70/70/1061927070.db2.gz GVNDVAWJOMZBFX-UHFFFAOYSA-N 1 1 472.609 2.709 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001294358242 1061928010 /nfs/dbraw/zinc/92/80/10/1061928010.db2.gz NOPYABSFNOYNDL-IBGZPJMESA-N 1 1 454.623 2.600 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294358283 1061928581 /nfs/dbraw/zinc/92/85/81/1061928581.db2.gz OZLNQVINRQICAK-IBGZPJMESA-N 1 1 472.609 2.938 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294358283 1061928601 /nfs/dbraw/zinc/92/86/01/1061928601.db2.gz OZLNQVINRQICAK-IBGZPJMESA-N 1 1 472.609 2.938 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001287007343 1061930678 /nfs/dbraw/zinc/93/06/78/1061930678.db2.gz UIUXDWUWHSDJMZ-UHFFFAOYSA-N 1 1 460.026 2.807 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001287007343 1061930696 /nfs/dbraw/zinc/93/06/96/1061930696.db2.gz UIUXDWUWHSDJMZ-UHFFFAOYSA-N 1 1 460.026 2.807 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001287007586 1061931059 /nfs/dbraw/zinc/93/10/59/1061931059.db2.gz UWYLRNHKKSYPGV-UHFFFAOYSA-N 1 1 454.619 2.570 20 0 JFADMO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001290197443 1061938331 /nfs/dbraw/zinc/93/83/31/1061938331.db2.gz SMVDPCYZEHIOJG-MGBGTMOVSA-N 1 1 467.643 2.913 20 0 JFADMO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375743 1061948956 /nfs/dbraw/zinc/94/89/56/1061948956.db2.gz BPYHCBNXBFLWEP-AUSIDOKSSA-N 1 1 469.634 2.588 20 0 JFADMO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375746 1061949643 /nfs/dbraw/zinc/94/96/43/1061949643.db2.gz BPYHCBNXBFLWEP-XXBNENTESA-N 1 1 469.634 2.588 20 0 JFADMO Cc1ccccc1OCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290206909 1061953059 /nfs/dbraw/zinc/95/30/59/1061953059.db2.gz VOSOPWRHSJDBHT-HBMCJLEFSA-N 1 1 470.618 2.552 20 0 JFADMO Cc1ccccc1OCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290206909 1061953087 /nfs/dbraw/zinc/95/30/87/1061953087.db2.gz VOSOPWRHSJDBHT-HBMCJLEFSA-N 1 1 470.618 2.552 20 0 JFADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)C1 ZINC001294385811 1061957890 /nfs/dbraw/zinc/95/78/90/1061957890.db2.gz OGWRNDGTBNMXHJ-LJQANCHMSA-N 1 1 451.608 2.997 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(Cn3ccnn3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287023115 1061964193 /nfs/dbraw/zinc/96/41/93/1061964193.db2.gz GPAFDIWNUASFGA-NRFANRHFSA-N 1 1 458.655 2.612 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287025032 1061968168 /nfs/dbraw/zinc/96/81/68/1061968168.db2.gz ZLWBLPIBEWOKNW-NRFANRHFSA-N 1 1 486.636 2.523 20 0 JFADMO CCCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294404223 1061972747 /nfs/dbraw/zinc/97/27/47/1061972747.db2.gz TXMLDTUVCBBEAR-LEWJYISDSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294404223 1061972768 /nfs/dbraw/zinc/97/27/68/1061972768.db2.gz TXMLDTUVCBBEAR-LEWJYISDSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294404228 1061972884 /nfs/dbraw/zinc/97/28/84/1061972884.db2.gz TXMLDTUVCBBEAR-RTWAWAEBSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294404228 1061972905 /nfs/dbraw/zinc/97/29/05/1061972905.db2.gz TXMLDTUVCBBEAR-RTWAWAEBSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294404226 1061972979 /nfs/dbraw/zinc/97/29/79/1061972979.db2.gz TXMLDTUVCBBEAR-NHCUHLMSSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294404226 1061972999 /nfs/dbraw/zinc/97/29/99/1061972999.db2.gz TXMLDTUVCBBEAR-NHCUHLMSSA-N 1 1 492.665 2.730 20 0 JFADMO O=C(CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)CC1)Nc1ccccc1Cl ZINC001290236019 1061982742 /nfs/dbraw/zinc/98/27/42/1061982742.db2.gz VBXOXNIKNZAOEY-JOCHJYFZSA-N 1 1 455.990 2.872 20 0 JFADMO O=C(CN1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)CC1)Nc1ccccc1Cl ZINC001290236019 1061982765 /nfs/dbraw/zinc/98/27/65/1061982765.db2.gz VBXOXNIKNZAOEY-JOCHJYFZSA-N 1 1 455.990 2.872 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCC[NH+]1CCOCC1 ZINC001287031278 1061982909 /nfs/dbraw/zinc/98/29/09/1061982909.db2.gz SEFJXJRDRTZIQQ-UHFFFAOYSA-N 1 1 467.540 2.961 20 0 JFADMO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001290243314 1061984503 /nfs/dbraw/zinc/98/45/03/1061984503.db2.gz DNMDUYRKNPJJBC-DEOSSOPVSA-N 1 1 460.623 2.616 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CSCCS1 ZINC001287032473 1061987384 /nfs/dbraw/zinc/98/73/84/1061987384.db2.gz SEWMXXZXJFFRPA-IBGZPJMESA-N 1 1 480.748 2.850 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H]1CSCCS1 ZINC001287032473 1061987413 /nfs/dbraw/zinc/98/74/13/1061987413.db2.gz SEWMXXZXJFFRPA-IBGZPJMESA-N 1 1 480.748 2.850 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC001290248846 1061987608 /nfs/dbraw/zinc/98/76/08/1061987608.db2.gz OVXYDNJTLCYDFD-QHCPKHFHSA-N 1 1 459.612 2.531 20 0 JFADMO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001290254049 1061990636 /nfs/dbraw/zinc/99/06/36/1061990636.db2.gz MJGAXZAQLJNCHV-LJQANCHMSA-N 1 1 458.632 2.836 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001294453691 1061998479 /nfs/dbraw/zinc/99/84/79/1061998479.db2.gz DCZNBUQODSWFGX-OAQYLSRUSA-N 1 1 469.634 2.913 20 0 JFADMO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290270680 1061999727 /nfs/dbraw/zinc/99/97/27/1061999727.db2.gz BDRQSVZWRHJOBG-QFIPXVFZSA-N 1 1 484.693 2.940 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001287037792 1062003993 /nfs/dbraw/zinc/00/39/93/1062003993.db2.gz SOHPTLKIJSJPPM-GCJKJVERSA-N 1 1 467.536 2.838 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001287037792 1062004019 /nfs/dbraw/zinc/00/40/19/1062004019.db2.gz SOHPTLKIJSJPPM-GCJKJVERSA-N 1 1 467.536 2.838 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2C)C1 ZINC001294460012 1062007493 /nfs/dbraw/zinc/00/74/93/1062007493.db2.gz ADWSWRUKSIJAEF-INIZCTEOSA-N 1 1 458.998 2.952 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294460030 1062007814 /nfs/dbraw/zinc/00/78/14/1062007814.db2.gz AKWGKRHWBJKYKU-MOPGFXCFSA-N 1 1 491.658 2.565 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)C1 ZINC001294460404 1062008037 /nfs/dbraw/zinc/00/80/37/1062008037.db2.gz ZUCDEAGZBBQHDF-HNNXBMFYSA-N 1 1 480.455 2.976 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 ZINC001294460970 1062009430 /nfs/dbraw/zinc/00/94/30/1062009430.db2.gz OWYXQYYYLSMVQF-FQEVSTJZSA-N 1 1 454.619 2.704 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001287041591 1062009863 /nfs/dbraw/zinc/00/98/63/1062009863.db2.gz NJSHLDNYYJJSCO-FDDCHVKYSA-N 1 1 495.715 2.708 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 ZINC001294460971 1062010013 /nfs/dbraw/zinc/01/00/13/1062010013.db2.gz OWYXQYYYLSMVQF-HXUWFJFHSA-N 1 1 454.619 2.704 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001294461702 1062011030 /nfs/dbraw/zinc/01/10/30/1062011030.db2.gz BSTMDICVVMALSF-IBGZPJMESA-N 1 1 456.639 2.638 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001287042237 1062011499 /nfs/dbraw/zinc/01/14/99/1062011499.db2.gz FYVVTGDWPMGWLN-SFHVURJKSA-N 1 1 485.599 2.814 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287042150 1062011809 /nfs/dbraw/zinc/01/18/09/1062011809.db2.gz ATNGSWYIIFULNM-UHFFFAOYSA-N 1 1 499.641 2.528 20 0 JFADMO Cc1cnn(C[C@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001290281266 1062012061 /nfs/dbraw/zinc/01/20/61/1062012061.db2.gz XPKYMWSJRPQLIF-OAQYLSRUSA-N 1 1 455.582 2.759 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 ZINC001294462874 1062012558 /nfs/dbraw/zinc/01/25/58/1062012558.db2.gz MUNZFRCJGNFKID-INIZCTEOSA-N 1 1 468.524 2.800 20 0 JFADMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001294463034 1062012755 /nfs/dbraw/zinc/01/27/55/1062012755.db2.gz NSGFSICFUWTCME-FYYLOGMGSA-N 1 1 455.651 2.865 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001294463034 1062012776 /nfs/dbraw/zinc/01/27/76/1062012776.db2.gz NSGFSICFUWTCME-FYYLOGMGSA-N 1 1 455.651 2.865 20 0 JFADMO Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)o1 ZINC001294463504 1062013908 /nfs/dbraw/zinc/01/39/08/1062013908.db2.gz SKKZWUXSXFIZSC-UHFFFAOYSA-N 1 1 453.568 2.874 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287043959 1062017615 /nfs/dbraw/zinc/01/76/15/1062017615.db2.gz BYCZKDXOEHUMQE-HXUWFJFHSA-N 1 1 475.659 2.957 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467787 1062017595 /nfs/dbraw/zinc/01/75/95/1062017595.db2.gz JDHBLIBIQKTRAR-WOJBJXKFSA-N 1 1 455.607 2.879 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 ZINC001294467852 1062017740 /nfs/dbraw/zinc/01/77/40/1062017740.db2.gz JYROISXTIKJCDN-WAOWUJCRSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468116 1062018139 /nfs/dbraw/zinc/01/81/39/1062018139.db2.gz KUYYVRBGWQXMEK-HUUCEWRRSA-N 1 1 469.599 2.601 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468115 1062018377 /nfs/dbraw/zinc/01/83/77/1062018377.db2.gz KUYYVRBGWQXMEK-GJZGRUSLSA-N 1 1 469.599 2.601 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294468337 1062018681 /nfs/dbraw/zinc/01/86/81/1062018681.db2.gz MRUDVQCKBQDRKD-LPHOPBHVSA-N 1 1 496.534 2.637 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468738 1062018736 /nfs/dbraw/zinc/01/87/36/1062018736.db2.gz PBPAVIWDRMKTDY-SFTDATJTSA-N 1 1 462.639 2.819 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468981 1062019977 /nfs/dbraw/zinc/01/99/77/1062019977.db2.gz SHCHATGCRKOMKC-RBBKRZOGSA-N 1 1 454.619 2.748 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001294469603 1062022502 /nfs/dbraw/zinc/02/25/02/1062022502.db2.gz CCISUUPYRYGMSW-NLFFAJNJSA-N 1 1 454.619 2.812 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287045297 1062023304 /nfs/dbraw/zinc/02/33/04/1062023304.db2.gz LJYKKJIIFXEVNY-QHCPKHFHSA-N 1 1 460.648 2.536 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294474159 1062026613 /nfs/dbraw/zinc/02/66/13/1062026613.db2.gz NLKRJIBAEHIHRJ-ROUUACIJSA-N 1 1 481.613 2.750 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294474157 1062026917 /nfs/dbraw/zinc/02/69/17/1062026917.db2.gz NLKRJIBAEHIHRJ-MSOLQXFVSA-N 1 1 481.613 2.750 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)CC1 ZINC001287046493 1062028841 /nfs/dbraw/zinc/02/88/41/1062028841.db2.gz RRQHZVPUCVAJEH-HXUWFJFHSA-N 1 1 477.631 2.536 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCS(C)(=O)=O)CC1 ZINC001287046491 1062029002 /nfs/dbraw/zinc/02/90/02/1062029002.db2.gz RRQHZVPUCVAJEH-FQEVSTJZSA-N 1 1 477.631 2.536 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287047538 1062033032 /nfs/dbraw/zinc/03/30/32/1062033032.db2.gz IYSHCEMGMTXSMQ-IBGZPJMESA-N 1 1 458.582 2.976 20 0 JFADMO Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001290306953 1062034067 /nfs/dbraw/zinc/03/40/67/1062034067.db2.gz IACKUSVDNJMBPU-HXUWFJFHSA-N 1 1 463.648 2.995 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287047859 1062035151 /nfs/dbraw/zinc/03/51/51/1062035151.db2.gz OJXAMICIKOTHGC-VWLOTQADSA-N 1 1 488.608 2.602 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC001294503466 1062038510 /nfs/dbraw/zinc/03/85/10/1062038510.db2.gz YFMBYICCNHBTSU-HXUWFJFHSA-N 1 1 458.603 2.737 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001294505215 1062040333 /nfs/dbraw/zinc/04/03/33/1062040333.db2.gz IOFXKHYSIKQAMQ-UHFFFAOYSA-N 1 1 487.624 2.640 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001294505791 1062042119 /nfs/dbraw/zinc/04/21/19/1062042119.db2.gz NDRZWBZHVBARMI-UHFFFAOYSA-N 1 1 490.612 2.620 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294506004 1062042399 /nfs/dbraw/zinc/04/23/99/1062042399.db2.gz DYXQKNHBEXTALI-UHFFFAOYSA-N 1 1 454.575 2.718 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001294506150 1062042821 /nfs/dbraw/zinc/04/28/21/1062042821.db2.gz QTQQOTDWEDRLNC-IBGZPJMESA-N 1 1 490.674 2.646 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001294506158 1062043195 /nfs/dbraw/zinc/04/31/95/1062043195.db2.gz QZAIEPWWETZBSV-HXUWFJFHSA-N 1 1 477.451 2.960 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294506886 1062044788 /nfs/dbraw/zinc/04/47/88/1062044788.db2.gz MZAIBLUGCYAITQ-LJQANCHMSA-N 1 1 450.591 2.769 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320767 1062045903 /nfs/dbraw/zinc/04/59/03/1062045903.db2.gz UGTBIZRKZXVCOE-LGVFNWMJSA-N 1 1 458.622 2.829 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320767 1062045909 /nfs/dbraw/zinc/04/59/09/1062045909.db2.gz UGTBIZRKZXVCOE-LGVFNWMJSA-N 1 1 458.622 2.829 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294508094 1062046126 /nfs/dbraw/zinc/04/61/26/1062046126.db2.gz XQZTYJRFQMGZLQ-OAHLLOKOSA-N 1 1 479.423 2.760 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294515396 1062051812 /nfs/dbraw/zinc/05/18/12/1062051812.db2.gz GENPSLVTDLFHGS-UHFFFAOYSA-N 1 1 489.621 2.795 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001294516018 1062052762 /nfs/dbraw/zinc/05/27/62/1062052762.db2.gz MDDQVTSVORZHSQ-KRWDZBQOSA-N 1 1 455.632 2.866 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001294516225 1062053808 /nfs/dbraw/zinc/05/38/08/1062053808.db2.gz OZRPYDASBYNDTA-QFIPXVFZSA-N 1 1 481.645 2.668 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294518869 1062055126 /nfs/dbraw/zinc/05/51/26/1062055126.db2.gz AYLVTWZIIHIXNK-WOJBJXKFSA-N 1 1 491.681 2.791 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001294520906 1062056452 /nfs/dbraw/zinc/05/64/52/1062056452.db2.gz BKPXJPQSUSTZSG-FQEVSTJZSA-N 1 1 470.618 2.753 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294521516 1062057257 /nfs/dbraw/zinc/05/72/57/1062057257.db2.gz CRBVLWJTUHRHSA-HSZRJFAPSA-N 1 1 463.623 2.755 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294523037 1062059370 /nfs/dbraw/zinc/05/93/70/1062059370.db2.gz QDMQOWKMUGBWFF-LJQANCHMSA-N 1 1 454.040 2.878 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294523410 1062060084 /nfs/dbraw/zinc/06/00/84/1062060084.db2.gz YZKJLWJKVLCXER-IBGZPJMESA-N 1 1 467.680 2.840 20 0 JFADMO Cc1csc(Cn2c(Cc3ccncc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001290348078 1062062154 /nfs/dbraw/zinc/06/21/54/1062062154.db2.gz HFJMPXDMWDHBDO-UHFFFAOYSA-N 1 1 455.632 2.872 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001294524826 1062062314 /nfs/dbraw/zinc/06/23/14/1062062314.db2.gz RTQIXUMJVNTYFP-IBGZPJMESA-N 1 1 491.999 2.942 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294526687 1062063176 /nfs/dbraw/zinc/06/31/76/1062063176.db2.gz JMXASEUOFBAXER-UHFFFAOYSA-N 1 1 474.654 2.929 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294526621 1062063261 /nfs/dbraw/zinc/06/32/61/1062063261.db2.gz HOYFELFIPDEKRS-QHCPKHFHSA-N 1 1 461.680 2.667 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294530100 1062066865 /nfs/dbraw/zinc/06/68/65/1062066865.db2.gz WAVPRJAFALMBKX-HSZRJFAPSA-N 1 1 467.680 2.765 20 0 JFADMO CC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530358 1062067463 /nfs/dbraw/zinc/06/74/63/1062067463.db2.gz DNQLUTNOEIPGSB-NHCUHLMSSA-N 1 1 454.962 2.789 20 0 JFADMO CC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530358 1062067481 /nfs/dbraw/zinc/06/74/81/1062067481.db2.gz DNQLUTNOEIPGSB-NHCUHLMSSA-N 1 1 454.962 2.789 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001294548460 1062074026 /nfs/dbraw/zinc/07/40/26/1062074026.db2.gz OXZDVRJPLOOYOZ-CTNGQTDRSA-N 1 1 496.722 2.748 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287056261 1062075558 /nfs/dbraw/zinc/07/55/58/1062075558.db2.gz APYJIPRYJBVMAM-RTWAWAEBSA-N 1 1 485.633 2.680 20 0 JFADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372390 1062076630 /nfs/dbraw/zinc/07/66/30/1062076630.db2.gz MHEPTDZWSXKZBE-IAGOWNOFSA-N 1 1 454.017 2.945 20 0 JFADMO CCCN(CCC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294563518 1062080639 /nfs/dbraw/zinc/08/06/39/1062080639.db2.gz HPMPOEMWDMYXJP-QHAWAJNXSA-N 1 1 498.738 2.994 20 0 JFADMO CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001294571843 1062084608 /nfs/dbraw/zinc/08/46/08/1062084608.db2.gz FCKALLRVIWGGMX-FQEVSTJZSA-N 1 1 492.694 2.664 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287058495 1062085025 /nfs/dbraw/zinc/08/50/25/1062085025.db2.gz ZCQSXSMHAHCGSF-NJYVYQBISA-N 1 1 492.665 2.860 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287058494 1062085186 /nfs/dbraw/zinc/08/51/86/1062085186.db2.gz ZCQSXSMHAHCGSF-NJDAHSKKSA-N 1 1 492.665 2.860 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@@H]3CCSC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC001290388684 1062092665 /nfs/dbraw/zinc/09/26/65/1062092665.db2.gz UZCWQRZQPZUNCB-RTBURBONSA-N 1 1 450.678 2.812 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC001290393255 1062095879 /nfs/dbraw/zinc/09/58/79/1062095879.db2.gz ZGDJEYPWZLHSNH-QFIPXVFZSA-N 1 1 478.569 2.938 20 0 JFADMO CCCN(CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294586141 1062098109 /nfs/dbraw/zinc/09/81/09/1062098109.db2.gz UYHMLEXUDQPJLH-UXHICEINSA-N 1 1 480.654 2.586 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001290398307 1062099468 /nfs/dbraw/zinc/09/94/68/1062099468.db2.gz IPSUUKIFHZHXNV-UHFFFAOYSA-N 1 1 461.680 2.523 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290398307 1062099489 /nfs/dbraw/zinc/09/94/89/1062099489.db2.gz IPSUUKIFHZHXNV-UHFFFAOYSA-N 1 1 461.680 2.523 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290398307 1062099512 /nfs/dbraw/zinc/09/95/12/1062099512.db2.gz IPSUUKIFHZHXNV-UHFFFAOYSA-N 1 1 461.680 2.523 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001290404341 1062114263 /nfs/dbraw/zinc/11/42/63/1062114263.db2.gz ICUBBQRPUIXROE-ROUUACIJSA-N 1 1 459.664 2.955 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cs1 ZINC001290407085 1062119005 /nfs/dbraw/zinc/11/90/05/1062119005.db2.gz FLBGMKDIVBVQMU-PBHICJAKSA-N 1 1 474.553 2.512 20 0 JFADMO CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294616699 1062126114 /nfs/dbraw/zinc/12/61/14/1062126114.db2.gz KQOCPKNIZDJWJR-JTSKRJEESA-N 1 1 460.573 2.936 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCOCC2)C1 ZINC001287064430 1062127057 /nfs/dbraw/zinc/12/70/57/1062127057.db2.gz RSGMNGRVGHPJST-HXUWFJFHSA-N 1 1 485.633 2.804 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1 ZINC001294632456 1062140158 /nfs/dbraw/zinc/14/01/58/1062140158.db2.gz IUUQGHYCVPQDIN-FCHUYYIVSA-N 1 1 495.672 2.795 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(Cc3ccc(F)cc3)CC2)C1 ZINC001294632791 1062141184 /nfs/dbraw/zinc/14/11/84/1062141184.db2.gz LDBMEPGMRGBUKM-NRFANRHFSA-N 1 1 486.636 2.861 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001294632694 1062141247 /nfs/dbraw/zinc/14/12/47/1062141247.db2.gz KOINRFMNJTVABC-QFIPXVFZSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294633504 1062143564 /nfs/dbraw/zinc/14/35/64/1062143564.db2.gz OZHDLKWNXMFAPQ-UQBPGWFLSA-N 1 1 467.618 2.581 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001294633546 1062144398 /nfs/dbraw/zinc/14/43/98/1062144398.db2.gz PNBIYPMRWQNPFG-OAQYLSRUSA-N 1 1 467.618 2.548 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294633976 1062144531 /nfs/dbraw/zinc/14/45/31/1062144531.db2.gz QQWLPMOHLLLKFT-OAQYLSRUSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001294637734 1062151929 /nfs/dbraw/zinc/15/19/29/1062151929.db2.gz LPZVNDFPNHWFFG-MSOLQXFVSA-N 1 1 452.669 2.803 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001294639329 1062154206 /nfs/dbraw/zinc/15/42/06/1062154206.db2.gz SJTJDPPPBDOSLO-JBACZVJFSA-N 1 1 492.665 2.828 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001294639418 1062154241 /nfs/dbraw/zinc/15/42/41/1062154241.db2.gz UWYRURIVLMOQOG-BZSNNMDCSA-N 1 1 464.636 2.523 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001294639328 1062154280 /nfs/dbraw/zinc/15/42/80/1062154280.db2.gz SJTJDPPPBDOSLO-GIVPXCGWSA-N 1 1 492.665 2.828 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@H](c3ccccc3)C2)C1 ZINC001294640818 1062158468 /nfs/dbraw/zinc/15/84/68/1062158468.db2.gz GFEWZNPWQBKFTA-ONTIZHBOSA-N 1 1 490.674 2.588 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294640991 1062159806 /nfs/dbraw/zinc/15/98/06/1062159806.db2.gz HZEIMJZEGYUAHZ-QMHWCDLVSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(c3ccccc3)C2)C1 ZINC001294641088 1062159866 /nfs/dbraw/zinc/15/98/66/1062159866.db2.gz JIWXJHSSWBUSRT-UXHICEINSA-N 1 1 472.659 2.914 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287067577 1062162004 /nfs/dbraw/zinc/16/20/04/1062162004.db2.gz UUZCZQXOEXWBCO-QFIPXVFZSA-N 1 1 499.660 2.727 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287068901 1062176383 /nfs/dbraw/zinc/17/63/83/1062176383.db2.gz RKUICWQQDPGWMU-GOSISDBHSA-N 1 1 462.982 2.644 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287068901 1062176393 /nfs/dbraw/zinc/17/63/93/1062176393.db2.gz RKUICWQQDPGWMU-GOSISDBHSA-N 1 1 462.982 2.644 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)cc(OC)c1 ZINC001294646823 1062178507 /nfs/dbraw/zinc/17/85/07/1062178507.db2.gz ZNCRPNNWBCBFAR-HNNXBMFYSA-N 1 1 452.477 2.799 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)cc(OC)c1 ZINC001294646823 1062178515 /nfs/dbraw/zinc/17/85/15/1062178515.db2.gz ZNCRPNNWBCBFAR-HNNXBMFYSA-N 1 1 452.477 2.799 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001294647011 1062180872 /nfs/dbraw/zinc/18/08/72/1062180872.db2.gz QTSMHHKLHNGSTM-RTWAWAEBSA-N 1 1 454.619 2.990 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294647192 1062181703 /nfs/dbraw/zinc/18/17/03/1062181703.db2.gz DBWQMGMZJJKKRR-SFTDATJTSA-N 1 1 474.675 2.751 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294648007 1062185702 /nfs/dbraw/zinc/18/57/02/1062185702.db2.gz XOESOXVLBXVCOG-IBGZPJMESA-N 1 1 490.674 2.546 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001294649398 1062191053 /nfs/dbraw/zinc/19/10/53/1062191053.db2.gz BAAZLSJBTHKCOJ-OAHLLOKOSA-N 1 1 451.497 2.815 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001294649629 1062192320 /nfs/dbraw/zinc/19/23/20/1062192320.db2.gz FFUXVWNDVDBHJX-RTBURBONSA-N 1 1 450.591 2.563 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294649441 1062192351 /nfs/dbraw/zinc/19/23/51/1062192351.db2.gz OLEAQORDWYNFAF-INIZCTEOSA-N 1 1 482.448 2.674 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001294649970 1062194353 /nfs/dbraw/zinc/19/43/53/1062194353.db2.gz GDOYLLXEESNQCM-KRWDZBQOSA-N 1 1 452.529 2.541 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294650231 1062194394 /nfs/dbraw/zinc/19/43/94/1062194394.db2.gz IKMGGNHBZQNOTK-QGZVFWFLSA-N 1 1 467.540 2.900 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001294649966 1062194570 /nfs/dbraw/zinc/19/45/70/1062194570.db2.gz GALGWIPNJOCKFT-VQTJNVASSA-N 1 1 464.618 2.681 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001294651464 1062196852 /nfs/dbraw/zinc/19/68/52/1062196852.db2.gz YFYRZJYDZBOCRF-INIZCTEOSA-N 1 1 461.408 2.766 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N(C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC001294656678 1062201952 /nfs/dbraw/zinc/20/19/52/1062201952.db2.gz HKEMBYUHISXFEI-LJQANCHMSA-N 1 1 452.603 2.941 20 0 JFADMO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4[nH+]ccn4C)CC3)cc2)c1C ZINC001294657758 1062202612 /nfs/dbraw/zinc/20/26/12/1062202612.db2.gz ZVMLGKALABJBTA-UHFFFAOYSA-N 1 1 453.568 2.800 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[NH+](CC4CC4)CC3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290435260 1062203894 /nfs/dbraw/zinc/20/38/94/1062203894.db2.gz LJRIDCJGYGHZHC-PMERELPUSA-N 1 1 450.678 2.713 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001294659029 1062206468 /nfs/dbraw/zinc/20/64/68/1062206468.db2.gz RXZKJNFIJJJICU-UXHICEINSA-N 1 1 462.639 2.961 20 0 JFADMO Cc1nc(Cc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001290440414 1062208567 /nfs/dbraw/zinc/20/85/67/1062208567.db2.gz SOEFOFUFRPHJDZ-KRWDZBQOSA-N 1 1 450.678 2.715 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287072775 1062209224 /nfs/dbraw/zinc/20/92/24/1062209224.db2.gz RJAKONSOVXFMHL-RTBURBONSA-N 1 1 473.622 2.614 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290440792 1062210341 /nfs/dbraw/zinc/21/03/41/1062210341.db2.gz XGKNKOMFHZSCQJ-VQIMIIECSA-N 1 1 450.678 2.932 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294661004 1062210778 /nfs/dbraw/zinc/21/07/78/1062210778.db2.gz HYNDZBPVBGOQNG-PZJWPPBQSA-N 1 1 463.623 2.753 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294661827 1062212808 /nfs/dbraw/zinc/21/28/08/1062212808.db2.gz WVXRIPWLZBYEBZ-MJGOQNOKSA-N 1 1 460.573 2.936 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294663116 1062215175 /nfs/dbraw/zinc/21/51/75/1062215175.db2.gz QSOJSTUVKQHEFF-HXUWFJFHSA-N 1 1 493.578 2.891 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294665617 1062217219 /nfs/dbraw/zinc/21/72/19/1062217219.db2.gz ZPJVLTLSKJYKCM-LJQANCHMSA-N 1 1 480.704 2.523 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294665215 1062217438 /nfs/dbraw/zinc/21/74/38/1062217438.db2.gz YEWPBCAPHAJJEK-LJQANCHMSA-N 1 1 457.598 2.591 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666155 1062218804 /nfs/dbraw/zinc/21/88/04/1062218804.db2.gz AMCPZYKBEAUXEP-IBGZPJMESA-N 1 1 458.582 2.820 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667400 1062222101 /nfs/dbraw/zinc/22/21/01/1062222101.db2.gz ZPGDKGGYULRHOG-WOJBJXKFSA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)C)CC2)C1 ZINC001294668479 1062223129 /nfs/dbraw/zinc/22/31/29/1062223129.db2.gz GVEFZPVAYJZGMC-IBGZPJMESA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)C)CC2)C1 ZINC001294668479 1062223144 /nfs/dbraw/zinc/22/31/44/1062223144.db2.gz GVEFZPVAYJZGMC-IBGZPJMESA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670078 1062226150 /nfs/dbraw/zinc/22/61/50/1062226150.db2.gz OOIGERSRQNAQAR-NHCUHLMSSA-N 1 1 487.693 2.511 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294670092 1062226526 /nfs/dbraw/zinc/22/65/26/1062226526.db2.gz OSYYKVFIPQGMLW-RTWAWAEBSA-N 1 1 454.619 2.908 20 0 JFADMO CCNC(=O)CN1CCCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001290450626 1062229251 /nfs/dbraw/zinc/22/92/51/1062229251.db2.gz RBHYZCBRZXAYRI-XMMPIXPASA-N 1 1 454.590 2.697 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CCOC)CC2)C1 ZINC001294671028 1062229446 /nfs/dbraw/zinc/22/94/46/1062229446.db2.gz VTUKILUNKCTSRO-BHDDXSALSA-N 1 1 462.683 2.697 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001294683612 1062242814 /nfs/dbraw/zinc/24/28/14/1062242814.db2.gz JYPFZPULYXZWPZ-UXHICEINSA-N 1 1 459.664 2.904 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001290466133 1062250732 /nfs/dbraw/zinc/25/07/32/1062250732.db2.gz XPIJNRWTRQKMCE-WOJBJXKFSA-N 1 1 451.612 2.581 20 0 JFADMO CCC(CC)[C@H](CNC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001290466132 1062250848 /nfs/dbraw/zinc/25/08/48/1062250848.db2.gz XPIJNRWTRQKMCE-VQTJNVASSA-N 1 1 451.612 2.581 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294692376 1062252216 /nfs/dbraw/zinc/25/22/16/1062252216.db2.gz ARVQTCNRGFEJPB-RTWAWAEBSA-N 1 1 482.633 2.542 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001294693862 1062253352 /nfs/dbraw/zinc/25/33/52/1062253352.db2.gz IKSBAAAXBFBYCJ-LEWJYISDSA-N 1 1 496.660 2.883 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001294694168 1062253835 /nfs/dbraw/zinc/25/38/35/1062253835.db2.gz JKMHRBADMPPCLT-JOCHJYFZSA-N 1 1 460.648 2.503 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001294695339 1062256115 /nfs/dbraw/zinc/25/61/15/1062256115.db2.gz ZYYPLBMVPPVKNR-NRFANRHFSA-N 1 1 467.618 2.514 20 0 JFADMO Cc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)cs1 ZINC001290469269 1062258319 /nfs/dbraw/zinc/25/83/19/1062258319.db2.gz XFJPLQXCVHSNGC-HXUWFJFHSA-N 1 1 488.706 2.624 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294697588 1062259518 /nfs/dbraw/zinc/25/95/18/1062259518.db2.gz HZWUOXVCMHKCQL-GGAORHGYSA-N 1 1 496.704 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294698074 1062259993 /nfs/dbraw/zinc/25/99/93/1062259993.db2.gz WQHZATVJTAZRLO-PDOGEWKWSA-N 1 1 459.639 2.871 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698840 1062262530 /nfs/dbraw/zinc/26/25/30/1062262530.db2.gz ZOTFLGZVUGYOLK-XLIONFOSSA-N 1 1 466.627 2.928 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 ZINC001294699471 1062263415 /nfs/dbraw/zinc/26/34/15/1062263415.db2.gz OCICWQFXXGBFLR-WOJBJXKFSA-N 1 1 461.632 2.838 20 0 JFADMO Cc1nc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290474420 1062264983 /nfs/dbraw/zinc/26/49/83/1062264983.db2.gz KXTWYTBBWPMTNE-SJLPKXTDSA-N 1 1 452.650 2.627 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001294707390 1062271188 /nfs/dbraw/zinc/27/11/88/1062271188.db2.gz OBAQQCPHEKBJCS-JOCHJYFZSA-N 1 1 459.683 2.676 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294707726 1062271929 /nfs/dbraw/zinc/27/19/29/1062271929.db2.gz AIOBDAOTUODWEQ-RTBURBONSA-N 1 1 458.582 2.962 20 0 JFADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001290486061 1062274063 /nfs/dbraw/zinc/27/40/63/1062274063.db2.gz IJOUWCFUGZXUGB-CLJLJLNGSA-N 1 1 462.638 2.995 20 0 JFADMO Cc1ncc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001290490633 1062279163 /nfs/dbraw/zinc/27/91/63/1062279163.db2.gz GKCFZQFWDQVFHY-KRWDZBQOSA-N 1 1 466.677 2.552 20 0 JFADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCOCCCO ZINC001287090066 1062280843 /nfs/dbraw/zinc/28/08/43/1062280843.db2.gz WADYVJUDPJQBGH-NHCUHLMSSA-N 1 1 477.675 2.979 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294713245 1062285573 /nfs/dbraw/zinc/28/55/73/1062285573.db2.gz VTRGGFPRIHCHAC-DCLXLUIPSA-N 1 1 463.623 2.584 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C ZINC001294713631 1062287224 /nfs/dbraw/zinc/28/72/24/1062287224.db2.gz XVLAWIYWHQFVOL-LJQANCHMSA-N 1 1 456.639 2.965 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294713763 1062288386 /nfs/dbraw/zinc/28/83/86/1062288386.db2.gz ZYWOUNMSLDCCMN-VQTJNVASSA-N 1 1 470.618 2.832 20 0 JFADMO Cc1ncc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290497253 1062289004 /nfs/dbraw/zinc/28/90/04/1062289004.db2.gz FPDKVQNUYUFTFC-IEGUWTFLSA-N 1 1 478.663 2.677 20 0 JFADMO Cc1ncc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290497253 1062289025 /nfs/dbraw/zinc/28/90/25/1062289025.db2.gz FPDKVQNUYUFTFC-IEGUWTFLSA-N 1 1 478.663 2.677 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287093335 1062291661 /nfs/dbraw/zinc/29/16/61/1062291661.db2.gz SSDLKUVQUKTCAL-OAQYLSRUSA-N 1 1 499.660 2.868 20 0 JFADMO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001294720122 1062294435 /nfs/dbraw/zinc/29/44/35/1062294435.db2.gz IKZHYECSHWWOLW-LVXARBLLSA-N 1 1 490.693 2.888 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC001290501556 1062294481 /nfs/dbraw/zinc/29/44/81/1062294481.db2.gz ONIVSQUBVVNHGW-QFBILLFUSA-N 1 1 486.646 2.698 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCCCCC2)cn1 ZINC001290501903 1062295966 /nfs/dbraw/zinc/29/59/66/1062295966.db2.gz UHBZBUMUMPWVOS-QGZVFWFLSA-N 1 1 472.619 2.596 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC001290501905 1062296042 /nfs/dbraw/zinc/29/60/42/1062296042.db2.gz UJYPYKUTYXKVOR-IYBDPMFKSA-N 1 1 455.538 2.711 20 0 JFADMO COc1ccc(-c2nc(CN3CCN(C(=O)CCCC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC001290502832 1062297883 /nfs/dbraw/zinc/29/78/83/1062297883.db2.gz XGQIIKRESXLGEW-UHFFFAOYSA-N 1 1 458.628 2.965 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC=C(Br)C1 ZINC001290503517 1062299098 /nfs/dbraw/zinc/29/90/98/1062299098.db2.gz JHTUMZVWFOMPLP-UHFFFAOYSA-N 1 1 450.385 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001290503752 1062299359 /nfs/dbraw/zinc/29/93/59/1062299359.db2.gz KGBVFWIYDUNERE-IBGZPJMESA-N 1 1 453.595 2.519 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001290504075 1062300469 /nfs/dbraw/zinc/30/04/69/1062300469.db2.gz QFXUGVWKMQLOFL-QKLQHJQFSA-N 1 1 487.630 2.715 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507363 1062304793 /nfs/dbraw/zinc/30/47/93/1062304793.db2.gz NQSOFIPNJPVVRT-INIZCTEOSA-N 1 1 457.604 2.986 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001290508316 1062306595 /nfs/dbraw/zinc/30/65/95/1062306595.db2.gz WBCOFJKQJMHONI-MRXNPFEDSA-N 1 1 463.512 2.793 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294728839 1062309485 /nfs/dbraw/zinc/30/94/85/1062309485.db2.gz BIJRNDBSCVOUEP-UNMCSNQZSA-N 1 1 481.645 2.589 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294728837 1062309597 /nfs/dbraw/zinc/30/95/97/1062309597.db2.gz BIJRNDBSCVOUEP-RBBKRZOGSA-N 1 1 481.645 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNC(=O)C(C)C ZINC001290511229 1062309494 /nfs/dbraw/zinc/30/94/94/1062309494.db2.gz OEXRCIBSNMOWNR-UHFFFAOYSA-N 1 1 491.438 2.850 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001290511303 1062310328 /nfs/dbraw/zinc/31/03/28/1062310328.db2.gz QIZCVCCSMKBKOS-IRLDBZIGSA-N 1 1 470.666 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001290513556 1062312307 /nfs/dbraw/zinc/31/23/07/1062312307.db2.gz CULGFTTWOMBTFF-IBGZPJMESA-N 1 1 489.621 2.787 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001290515025 1062314068 /nfs/dbraw/zinc/31/40/68/1062314068.db2.gz TYEAUTCFUILNQG-GOSISDBHSA-N 1 1 467.578 2.824 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001294733028 1062314131 /nfs/dbraw/zinc/31/41/31/1062314131.db2.gz JYOPKBNJDOLWJM-YADHBBJMSA-N 1 1 460.667 2.989 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001290515263 1062315085 /nfs/dbraw/zinc/31/50/85/1062315085.db2.gz HEVUZBBWMADZNL-UXHICEINSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001290515512 1062316208 /nfs/dbraw/zinc/31/62/08/1062316208.db2.gz KGFBQEQSAOOTPR-QGZVFWFLSA-N 1 1 462.524 2.932 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001290515559 1062316516 /nfs/dbraw/zinc/31/65/16/1062316516.db2.gz LOCBRDIKFFWZCD-KRWDZBQOSA-N 1 1 464.542 2.690 20 0 JFADMO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001290517171 1062317104 /nfs/dbraw/zinc/31/71/04/1062317104.db2.gz AMFFJQQHTUDELK-QFIPXVFZSA-N 1 1 464.618 2.580 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCOCC1 ZINC001290517243 1062317601 /nfs/dbraw/zinc/31/76/01/1062317601.db2.gz BZQIUJBLQRDDMC-UHFFFAOYSA-N 1 1 457.604 2.728 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N(C)CCS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1 ZINC001290517233 1062317706 /nfs/dbraw/zinc/31/77/06/1062317706.db2.gz BMIQJXIDIYIVER-UHFFFAOYSA-N 1 1 456.616 2.824 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001290517939 1062318490 /nfs/dbraw/zinc/31/84/90/1062318490.db2.gz PNSIMFPDQRDART-JTYJAPAGSA-N 1 1 483.642 2.931 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1 ZINC001290518043 1062318907 /nfs/dbraw/zinc/31/89/07/1062318907.db2.gz TUVBAKCJVPMEOI-UHFFFAOYSA-N 1 1 451.575 2.686 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1=O ZINC001294735269 1062319922 /nfs/dbraw/zinc/31/99/22/1062319922.db2.gz PNDGUDSBLFMNGE-UHFFFAOYSA-N 1 1 453.635 2.835 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290520732 1062320130 /nfs/dbraw/zinc/32/01/30/1062320130.db2.gz BZRZRDJJFMYECV-CQSZACIVSA-N 1 1 458.364 2.580 20 0 JFADMO CCCN1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001294735522 1062321100 /nfs/dbraw/zinc/32/11/00/1062321100.db2.gz VQHUTHJLBWKLDE-JOCHJYFZSA-N 1 1 460.667 2.816 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287109014 1062321082 /nfs/dbraw/zinc/32/10/82/1062321082.db2.gz DXRUFFXVJBLFJH-HXUWFJFHSA-N 1 1 472.609 2.626 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1cnccn1 ZINC001290521759 1062321407 /nfs/dbraw/zinc/32/14/07/1062321407.db2.gz OMOXIFIVQRXSJY-UHFFFAOYSA-N 1 1 470.379 2.720 20 0 JFADMO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001294740198 1062323916 /nfs/dbraw/zinc/32/39/16/1062323916.db2.gz MOJHLLGSMNIEHF-SZPZYZBQSA-N 1 1 487.693 2.607 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001287110950 1062325994 /nfs/dbraw/zinc/32/59/94/1062325994.db2.gz XUHQLVYYWKZTTF-QHCPKHFHSA-N 1 1 468.646 2.999 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001290524542 1062326345 /nfs/dbraw/zinc/32/63/45/1062326345.db2.gz FJNWCJFUKSWWQZ-HOTGVXAUSA-N 1 1 465.023 2.985 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc[nH+]c2C)CC1=O ZINC001294741110 1062326498 /nfs/dbraw/zinc/32/64/98/1062326498.db2.gz VGDUTLRJIDYATP-UHFFFAOYSA-N 1 1 451.575 2.819 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001290525102 1062327511 /nfs/dbraw/zinc/32/75/11/1062327511.db2.gz XFBQYBWTIKKPRL-INIZCTEOSA-N 1 1 460.526 2.554 20 0 JFADMO CC(C)=CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287112192 1062328521 /nfs/dbraw/zinc/32/85/21/1062328521.db2.gz NHPCSXFGFHWLNC-HSALFYBXSA-N 1 1 460.623 2.926 20 0 JFADMO CC(C)=CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287112192 1062328546 /nfs/dbraw/zinc/32/85/46/1062328546.db2.gz NHPCSXFGFHWLNC-HSALFYBXSA-N 1 1 460.623 2.926 20 0 JFADMO Cc1[nH+]ccn1CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290528423 1062328593 /nfs/dbraw/zinc/32/85/93/1062328593.db2.gz GNJWOAUAICGVRR-YADARESESA-N 1 1 489.621 2.627 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001290529698 1062330611 /nfs/dbraw/zinc/33/06/11/1062330611.db2.gz ROKIJOUCQSSWHA-FQEVSTJZSA-N 1 1 469.565 2.942 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCCC[C@H]2CC)CC1=O ZINC001294743914 1062333968 /nfs/dbraw/zinc/33/39/68/1062333968.db2.gz ZMTGIRPBGBNNPR-XJUOHMSHSA-N 1 1 476.666 2.715 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001294745167 1062337848 /nfs/dbraw/zinc/33/78/48/1062337848.db2.gz KCUTXQFKGKJHNN-GHTZIAJQSA-N 1 1 456.591 2.552 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294750912 1062339921 /nfs/dbraw/zinc/33/99/21/1062339921.db2.gz ROTGZMUVAREAKA-FQEVSTJZSA-N 1 1 471.625 2.605 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294752985 1062341549 /nfs/dbraw/zinc/34/15/49/1062341549.db2.gz FGPYKXMRVXVPJM-BJLQDIEVSA-N 1 1 470.622 2.959 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001294753189 1062342118 /nfs/dbraw/zinc/34/21/18/1062342118.db2.gz ILOWJTXGVPPSOC-MJGOQNOKSA-N 1 1 471.631 2.992 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001294753591 1062342172 /nfs/dbraw/zinc/34/21/72/1062342172.db2.gz OOSIJCDFKLOGGI-FPOVZHCZSA-N 1 1 470.666 2.932 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC001294753594 1062342272 /nfs/dbraw/zinc/34/22/72/1062342272.db2.gz OPNKACOTRZMZIF-CEXWTWQISA-N 1 1 485.599 2.814 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294754417 1062343441 /nfs/dbraw/zinc/34/34/41/1062343441.db2.gz CVMNINQRZHPUGG-BBTUJRGHSA-N 1 1 477.631 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294754426 1062344092 /nfs/dbraw/zinc/34/40/92/1062344092.db2.gz CVMNINQRZHPUGG-WFXMLNOXSA-N 1 1 477.631 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294754962 1062344886 /nfs/dbraw/zinc/34/48/86/1062344886.db2.gz LJTLLCAJKGTTFY-IBGZPJMESA-N 1 1 495.719 2.627 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294754742 1062344966 /nfs/dbraw/zinc/34/49/66/1062344966.db2.gz IMHZXCCXZUVLRD-QFIPXVFZSA-N 1 1 472.609 2.614 20 0 JFADMO CS(=O)(=O)NC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)CCCCC1 ZINC001290545980 1062345358 /nfs/dbraw/zinc/34/53/58/1062345358.db2.gz NEJRDNFMGYAEAN-WOJBJXKFSA-N 1 1 476.668 2.727 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294758615 1062349678 /nfs/dbraw/zinc/34/96/78/1062349678.db2.gz YQUOHEUBWICFOP-VNXZQDSDSA-N 1 1 470.666 2.898 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294760088 1062349912 /nfs/dbraw/zinc/34/99/12/1062349912.db2.gz JWHXFFAQQKGICL-ISJBWFOZSA-N 1 1 490.693 2.936 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290549393 1062352068 /nfs/dbraw/zinc/35/20/68/1062352068.db2.gz JLHSPJIJBCJECN-GOSISDBHSA-N 1 1 470.666 2.898 20 0 JFADMO O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001290553368 1062355625 /nfs/dbraw/zinc/35/56/25/1062355625.db2.gz AWJWVWSRBCKRTI-RDGATRHJSA-N 1 1 452.555 2.953 20 0 JFADMO CCCn1nc(-c2nnc(N(C)C[C@H](C)CC)n2C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001294765901 1062356942 /nfs/dbraw/zinc/35/69/42/1062356942.db2.gz ZHUCXTBQDILRAA-CJAUYULYSA-N 1 1 467.618 2.614 20 0 JFADMO CCCn1nc(-c2nnc(N(C)C[C@@H](C)CC)n2C[C@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001294765899 1062357070 /nfs/dbraw/zinc/35/70/70/1062357070.db2.gz ZHUCXTBQDILRAA-BVZFJXPGSA-N 1 1 467.618 2.614 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCOC(C)(C)C)CC1 ZINC001290562399 1062363756 /nfs/dbraw/zinc/36/37/56/1062363756.db2.gz FXQNOVKPCZJQDH-HXUWFJFHSA-N 1 1 459.639 2.660 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NC(C)C)CC1 ZINC001290562733 1062364412 /nfs/dbraw/zinc/36/44/12/1062364412.db2.gz JCWRNFXJMFDFLW-UHFFFAOYSA-N 1 1 492.672 2.651 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001287120754 1062364632 /nfs/dbraw/zinc/36/46/32/1062364632.db2.gz SSFARGCZFQPKGV-HXUWFJFHSA-N 1 1 456.639 2.684 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001287120994 1062365721 /nfs/dbraw/zinc/36/57/21/1062365721.db2.gz TYFISNHDLIQBEI-FQEVSTJZSA-N 1 1 496.660 2.787 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)s2)CC1 ZINC001290564949 1062367349 /nfs/dbraw/zinc/36/73/49/1062367349.db2.gz OKCVDQREMVLPFS-UHFFFAOYSA-N 1 1 491.065 2.852 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001294771169 1062370352 /nfs/dbraw/zinc/37/03/52/1062370352.db2.gz NRWVMKIRYYFLQX-UXHICEINSA-N 1 1 481.645 2.621 20 0 JFADMO CCCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](F)COC)c2ccccc2c1=O ZINC001294771940 1062372235 /nfs/dbraw/zinc/37/22/35/1062372235.db2.gz VPNALFSLXLPBQF-IBGZPJMESA-N 1 1 485.608 2.970 20 0 JFADMO Cc1cc(Cn2c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)n(C)n1 ZINC001290569606 1062372282 /nfs/dbraw/zinc/37/22/82/1062372282.db2.gz ALJLCHRZFRSDDR-GHTZIAJQSA-N 1 1 453.639 2.919 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287123369 1062377122 /nfs/dbraw/zinc/37/71/22/1062377122.db2.gz ARSVRAVYKVGSHK-HXUWFJFHSA-N 1 1 462.683 2.966 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287123369 1062377138 /nfs/dbraw/zinc/37/71/38/1062377138.db2.gz ARSVRAVYKVGSHK-HXUWFJFHSA-N 1 1 462.683 2.966 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001287124799 1062384365 /nfs/dbraw/zinc/38/43/65/1062384365.db2.gz KFCQDXXHTQTEDZ-QFIPXVFZSA-N 1 1 476.629 2.856 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001294781156 1062386173 /nfs/dbraw/zinc/38/61/73/1062386173.db2.gz REBNKBJBOVPWOQ-NHCUHLMSSA-N 1 1 499.660 2.979 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001287125713 1062388485 /nfs/dbraw/zinc/38/84/85/1062388485.db2.gz HCTSZPPPQPWTJA-LJQANCHMSA-N 1 1 487.674 2.621 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294788224 1062393777 /nfs/dbraw/zinc/39/37/77/1062393777.db2.gz DIGVCCTUOOAMNV-TZIWHRDSSA-N 1 1 471.650 2.615 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001294789622 1062397924 /nfs/dbraw/zinc/39/79/24/1062397924.db2.gz MNEQPVOLUKGOFD-UNMCSNQZSA-N 1 1 485.677 2.863 20 0 JFADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789769 1062398231 /nfs/dbraw/zinc/39/82/31/1062398231.db2.gz RZABMOYOCZNHDF-ZJSXRUAMSA-N 1 1 451.567 2.790 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCCO2)n1 ZINC001290594333 1062415270 /nfs/dbraw/zinc/41/52/70/1062415270.db2.gz RKJRDAZWDWOCGO-OAQYLSRUSA-N 1 1 459.639 2.503 20 0 JFADMO CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)s1 ZINC001290605187 1062438896 /nfs/dbraw/zinc/43/88/96/1062438896.db2.gz XKIFWRJZFJRYTK-UHFFFAOYSA-N 1 1 457.600 2.555 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001294800021 1062440785 /nfs/dbraw/zinc/44/07/85/1062440785.db2.gz JMLXZRXJROXLJV-FQEVSTJZSA-N 1 1 461.699 2.635 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001294800021 1062440795 /nfs/dbraw/zinc/44/07/95/1062440795.db2.gz JMLXZRXJROXLJV-FQEVSTJZSA-N 1 1 461.699 2.635 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001294800021 1062440808 /nfs/dbraw/zinc/44/08/08/1062440808.db2.gz JMLXZRXJROXLJV-FQEVSTJZSA-N 1 1 461.699 2.635 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001287133544 1062443653 /nfs/dbraw/zinc/44/36/53/1062443653.db2.gz IUDFECUBRVGRPV-GOSISDBHSA-N 1 1 469.565 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001290606520 1062447077 /nfs/dbraw/zinc/44/70/77/1062447077.db2.gz BXARALBIYDORRT-UHFFFAOYSA-N 1 1 470.588 2.802 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001287134661 1062453650 /nfs/dbraw/zinc/45/36/50/1062453650.db2.gz VMSDYEWYBZNYSH-CEWLAPEOSA-N 1 1 460.667 2.889 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294803854 1062454402 /nfs/dbraw/zinc/45/44/02/1062454402.db2.gz NTAKJMPKLASHBL-FYYLOGMGSA-N 1 1 483.661 2.507 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294803857 1062454457 /nfs/dbraw/zinc/45/44/57/1062454457.db2.gz NTAKJMPKLASHBL-JTHBVZDNSA-N 1 1 483.661 2.507 20 0 JFADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001290615665 1062464010 /nfs/dbraw/zinc/46/40/10/1062464010.db2.gz CVVOHJVZHDWBNB-GQISJSLFSA-N 1 1 458.367 2.601 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618352 1062474783 /nfs/dbraw/zinc/47/47/83/1062474783.db2.gz VBGIJUMAASXHJF-UFYCRDLUSA-N 1 1 499.582 2.653 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618354 1062474868 /nfs/dbraw/zinc/47/48/68/1062474868.db2.gz VBGIJUMAASXHJF-XUVXKRRUSA-N 1 1 499.582 2.653 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001290619035 1062478184 /nfs/dbraw/zinc/47/81/84/1062478184.db2.gz YQECRYAJEUPOPV-RXVVDRJESA-N 1 1 485.036 2.763 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001290620282 1062480930 /nfs/dbraw/zinc/48/09/30/1062480930.db2.gz IZRDMSNQGTYSRQ-QHCPKHFHSA-N 1 1 456.683 2.896 20 0 JFADMO CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001287138263 1062483009 /nfs/dbraw/zinc/48/30/09/1062483009.db2.gz FBFZXMIUWPUXFJ-CEMLEFRQSA-N 1 1 490.693 2.658 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C(N)=O)cc2)n1 ZINC001290625136 1062493282 /nfs/dbraw/zinc/49/32/82/1062493282.db2.gz HIUZEUQUNRJEMX-UHFFFAOYSA-N 1 1 478.645 2.844 20 0 JFADMO CC(C)C(=O)NCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287141036 1062498258 /nfs/dbraw/zinc/49/82/58/1062498258.db2.gz LFHQZBVCJXHDPY-NRFANRHFSA-N 1 1 470.618 2.873 20 0 JFADMO CC(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001287141414 1062500619 /nfs/dbraw/zinc/50/06/19/1062500619.db2.gz XJAJKOBFMLSPLW-NRFANRHFSA-N 1 1 468.646 2.525 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001290629658 1062502912 /nfs/dbraw/zinc/50/29/12/1062502912.db2.gz UUYDMFXLSDVERF-FQEVSTJZSA-N 1 1 474.654 2.926 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001294822117 1062505413 /nfs/dbraw/zinc/50/54/13/1062505413.db2.gz KAERXCYICKIHQD-HXUWFJFHSA-N 1 1 472.609 2.674 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287144698 1062508677 /nfs/dbraw/zinc/50/86/77/1062508677.db2.gz IBFMXMYDCQBKTQ-GHTZIAJQSA-N 1 1 464.408 2.635 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287144698 1062508699 /nfs/dbraw/zinc/50/86/99/1062508699.db2.gz IBFMXMYDCQBKTQ-GHTZIAJQSA-N 1 1 464.408 2.635 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)C(C)C)CC1 ZINC001294823291 1062510344 /nfs/dbraw/zinc/51/03/44/1062510344.db2.gz WYVATOLXNORNCT-UHFFFAOYSA-N 1 1 456.591 2.757 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001294828492 1062515785 /nfs/dbraw/zinc/51/57/85/1062515785.db2.gz OXAMRJWWOFFJGW-UHFFFAOYSA-N 1 1 489.064 2.987 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001294833918 1062523463 /nfs/dbraw/zinc/52/34/63/1062523463.db2.gz JPBAWPBZJIMLIW-VAPSRWTKSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001287151872 1062524061 /nfs/dbraw/zinc/52/40/61/1062524061.db2.gz WSBRAVRBSPQLKP-HQCZVFHSSA-N 1 1 480.661 2.924 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290640132 1062525994 /nfs/dbraw/zinc/52/59/94/1062525994.db2.gz RSQCVBZQMXHNJW-KNQAVFIVSA-N 1 1 470.666 2.709 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001290640953 1062528568 /nfs/dbraw/zinc/52/85/68/1062528568.db2.gz MRMXINDJGPDCSH-ROUUACIJSA-N 1 1 468.572 2.695 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290641686 1062530582 /nfs/dbraw/zinc/53/05/82/1062530582.db2.gz ZGNGYQNPPIOQIY-NJYVYQBISA-N 1 1 459.639 2.643 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001290642101 1062532100 /nfs/dbraw/zinc/53/21/00/1062532100.db2.gz VNDJWQQVRRFWCR-UGKGYDQZSA-N 1 1 470.666 2.565 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290647172 1062540255 /nfs/dbraw/zinc/54/02/55/1062540255.db2.gz CAQUYOBIUJKPPO-SFTDATJTSA-N 1 1 459.639 2.500 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001290647309 1062540849 /nfs/dbraw/zinc/54/08/49/1062540849.db2.gz WCDPMVRMSDNLTJ-DENIHFKCSA-N 1 1 470.666 2.565 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294846857 1062544261 /nfs/dbraw/zinc/54/42/61/1062544261.db2.gz KESDCCRFWNBVIF-YLJYHZDGSA-N 1 1 461.010 2.672 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001294848804 1062548944 /nfs/dbraw/zinc/54/89/44/1062548944.db2.gz FYYXGNWPACOORD-UHFFFAOYSA-N 1 1 465.602 2.829 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001287160171 1062557703 /nfs/dbraw/zinc/55/77/03/1062557703.db2.gz PZNXJYBMWSTZCU-FNVWIQIJSA-N 1 1 489.686 2.903 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001287160170 1062557781 /nfs/dbraw/zinc/55/77/81/1062557781.db2.gz PZNXJYBMWSTZCU-ACTILHGESA-N 1 1 489.686 2.903 20 0 JFADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161458 1062562961 /nfs/dbraw/zinc/56/29/61/1062562961.db2.gz ALLPDWPPPOHYAT-AOHZBQACSA-N 1 1 476.710 2.913 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC001287163819 1062571625 /nfs/dbraw/zinc/57/16/25/1062571625.db2.gz GSRDVWGXQDTGNT-FCHUYYIVSA-N 1 1 491.658 2.526 20 0 JFADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001287164510 1062573925 /nfs/dbraw/zinc/57/39/25/1062573925.db2.gz WGQKOCXKCJFKFC-JOCHJYFZSA-N 1 1 460.667 2.850 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287166487 1062578099 /nfs/dbraw/zinc/57/80/99/1062578099.db2.gz IVGWLGRFKWNLPV-WOJBJXKFSA-N 1 1 490.674 2.765 20 0 JFADMO CC(C)c1ccnc(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)n1 ZINC001287167180 1062579234 /nfs/dbraw/zinc/57/92/34/1062579234.db2.gz LQSFKBATFKBQQF-UHFFFAOYSA-N 1 1 470.666 2.926 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001294883130 1062596632 /nfs/dbraw/zinc/59/66/32/1062596632.db2.gz HPJTZTASKXQIGJ-YLJYHZDGSA-N 1 1 492.571 2.620 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287177267 1062601265 /nfs/dbraw/zinc/60/12/65/1062601265.db2.gz WYRYBCAIGSHPJS-QUCCMNQESA-N 1 1 463.648 2.849 20 0 JFADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001287178969 1062603317 /nfs/dbraw/zinc/60/33/17/1062603317.db2.gz NVXARYRNEABHJI-HKUYNNGSSA-N 1 1 498.694 2.936 20 0 JFADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001287178969 1062603328 /nfs/dbraw/zinc/60/33/28/1062603328.db2.gz NVXARYRNEABHJI-HKUYNNGSSA-N 1 1 498.694 2.936 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294889019 1062613063 /nfs/dbraw/zinc/61/30/63/1062613063.db2.gz SSNJSORAWRGZKK-KDURUIRLSA-N 1 1 458.607 2.698 20 0 JFADMO CC(C)c1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287191516 1062618210 /nfs/dbraw/zinc/61/82/10/1062618210.db2.gz HPEFVMFFZPELPB-UHFFFAOYSA-N 1 1 487.693 2.606 20 0 JFADMO Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001290695916 1062622652 /nfs/dbraw/zinc/62/26/52/1062622652.db2.gz KCCZJJVGSYTCPQ-UHFFFAOYSA-N 1 1 463.011 2.749 20 0 JFADMO Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001290695916 1062622663 /nfs/dbraw/zinc/62/26/63/1062622663.db2.gz KCCZJJVGSYTCPQ-UHFFFAOYSA-N 1 1 463.011 2.749 20 0 JFADMO Cc1nnc(N(C)Cc2ccc(Br)s2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290717312 1062649100 /nfs/dbraw/zinc/64/91/00/1062649100.db2.gz WMXIHKJPMFKBQV-MRXNPFEDSA-N 1 1 469.453 2.990 20 0 JFADMO CCCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294910872 1062659412 /nfs/dbraw/zinc/65/94/12/1062659412.db2.gz RVYICXNZDNDCKX-UHFFFAOYSA-N 1 1 459.683 2.532 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001290760130 1062674284 /nfs/dbraw/zinc/67/42/84/1062674284.db2.gz QFDTZVUYOADNIB-HXUWFJFHSA-N 1 1 468.646 2.939 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001290760130 1062674292 /nfs/dbraw/zinc/67/42/92/1062674292.db2.gz QFDTZVUYOADNIB-HXUWFJFHSA-N 1 1 468.646 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287214129 1062675110 /nfs/dbraw/zinc/67/51/10/1062675110.db2.gz IWBKJRRFTGTABH-LJQANCHMSA-N 1 1 479.551 2.801 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287215947 1062688367 /nfs/dbraw/zinc/68/83/67/1062688367.db2.gz GGERQAVFRUOBMR-ZWKOTPCHSA-N 1 1 466.677 2.628 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001287216495 1062692709 /nfs/dbraw/zinc/69/27/09/1062692709.db2.gz RKWMJDUVEWLMGH-QFIPXVFZSA-N 1 1 483.661 2.647 20 0 JFADMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290782265 1062692973 /nfs/dbraw/zinc/69/29/73/1062692973.db2.gz OOVPVIWAKRRGHC-MJGOQNOKSA-N 1 1 459.450 2.889 20 0 JFADMO CC(C)[N@@H+](C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290782266 1062693011 /nfs/dbraw/zinc/69/30/11/1062693011.db2.gz OOVPVIWAKRRGHC-PKOBYXMFSA-N 1 1 459.450 2.889 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924567 1062693566 /nfs/dbraw/zinc/69/35/66/1062693566.db2.gz ISDRCHQXSZMTDZ-ICSRJNTNSA-N 1 1 470.618 2.894 20 0 JFADMO Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccnc1OCC(F)F ZINC001290793331 1062699921 /nfs/dbraw/zinc/69/99/21/1062699921.db2.gz TXXQVPPOLYUMFN-CALCHBBNSA-N 1 1 464.561 2.999 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001287219090 1062701111 /nfs/dbraw/zinc/70/11/11/1062701111.db2.gz FJENYTIQEJPLBI-GOSISDBHSA-N 1 1 458.582 2.660 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928119 1062701723 /nfs/dbraw/zinc/70/17/23/1062701723.db2.gz XDHQUBPRDHFTKN-GHTZIAJQSA-N 1 1 470.618 2.942 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287219719 1062702938 /nfs/dbraw/zinc/70/29/38/1062702938.db2.gz RSLDIRGAURIZDU-KRWDZBQOSA-N 1 1 464.552 2.781 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287219721 1062703056 /nfs/dbraw/zinc/70/30/56/1062703056.db2.gz RSLDIRGAURIZDU-QGZVFWFLSA-N 1 1 464.552 2.781 20 0 JFADMO CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287221445 1062706475 /nfs/dbraw/zinc/70/64/75/1062706475.db2.gz UOHKHQPYEWVCNZ-JOCHJYFZSA-N 1 1 453.635 2.671 20 0 JFADMO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001290804865 1062707310 /nfs/dbraw/zinc/70/73/10/1062707310.db2.gz YCHKPBZOROMVAP-BKMJKUGQSA-N 1 1 453.583 2.922 20 0 JFADMO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001290804859 1062707398 /nfs/dbraw/zinc/70/73/98/1062707398.db2.gz YCHKPBZOROMVAP-ATIYNZHBSA-N 1 1 453.583 2.922 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287222747 1062709317 /nfs/dbraw/zinc/70/93/17/1062709317.db2.gz JDJRMIWIHARZCA-NRFANRHFSA-N 1 1 492.615 2.990 20 0 JFADMO Cc1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CC(=O)NCC(F)(F)F ZINC001290810795 1062710993 /nfs/dbraw/zinc/71/09/93/1062710993.db2.gz SHIWKTJCVURCBP-UHFFFAOYSA-N 1 1 450.509 2.758 20 0 JFADMO NS(=O)(=O)c1cccc(CNC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001290819131 1062714074 /nfs/dbraw/zinc/71/40/74/1062714074.db2.gz BBXNOIPZYDMFFY-QHCPKHFHSA-N 1 1 455.555 2.991 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935884 1062713866 /nfs/dbraw/zinc/71/38/66/1062713866.db2.gz ROXUZSJEYVNJIR-DQEYMECFSA-N 1 1 473.618 2.814 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001290821175 1062716023 /nfs/dbraw/zinc/71/60/23/1062716023.db2.gz UGHCLZUESGFDCZ-DEOSSOPVSA-N 1 1 455.624 2.979 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001290821175 1062716034 /nfs/dbraw/zinc/71/60/34/1062716034.db2.gz UGHCLZUESGFDCZ-DEOSSOPVSA-N 1 1 455.624 2.979 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001290821175 1062716055 /nfs/dbraw/zinc/71/60/55/1062716055.db2.gz UGHCLZUESGFDCZ-DEOSSOPVSA-N 1 1 455.624 2.979 20 0 JFADMO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290824893 1062719075 /nfs/dbraw/zinc/71/90/75/1062719075.db2.gz RYLMBHKHYUPYNR-NHCUHLMSSA-N 1 1 464.655 2.907 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001287231165 1062719691 /nfs/dbraw/zinc/71/96/91/1062719691.db2.gz DIVKLVNGRJPWDH-QHAWAJNXSA-N 1 1 496.722 2.604 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294939733 1062722280 /nfs/dbraw/zinc/72/22/80/1062722280.db2.gz YXKDLTVBMXAWDQ-UYAOXDASSA-N 1 1 470.618 2.894 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCC[N@H+]2CCC)cc1OC ZINC001294940223 1062725218 /nfs/dbraw/zinc/72/52/18/1062725218.db2.gz OIPLVPPTOITVDU-HXUWFJFHSA-N 1 1 470.618 2.943 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940651 1062726809 /nfs/dbraw/zinc/72/68/09/1062726809.db2.gz SXDCGJLCFJHHML-FQEVSTJZSA-N 1 1 470.618 2.942 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001294941197 1062727272 /nfs/dbraw/zinc/72/72/72/1062727272.db2.gz XBVZRNMBUMXOPP-LEWJYISDSA-N 1 1 486.661 2.994 20 0 JFADMO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290851670 1062735585 /nfs/dbraw/zinc/73/55/85/1062735585.db2.gz DGMVLJUNHQAZOS-KDURUIRLSA-N 1 1 472.609 2.505 20 0 JFADMO CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287252975 1062735672 /nfs/dbraw/zinc/73/56/72/1062735672.db2.gz NLVAGOMGGWBQJF-LEWJYISDSA-N 1 1 475.659 2.678 20 0 JFADMO CCCOc1ccc(Cn2c(C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1OC ZINC001294950406 1062737351 /nfs/dbraw/zinc/73/73/51/1062737351.db2.gz WPJXLQFOASBOBR-UHFFFAOYSA-N 1 1 453.591 2.878 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290856597 1062740520 /nfs/dbraw/zinc/74/05/20/1062740520.db2.gz HJWOLVREVNBVEA-SIKLNZKXSA-N 1 1 470.618 2.933 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290856597 1062740535 /nfs/dbraw/zinc/74/05/35/1062740535.db2.gz HJWOLVREVNBVEA-SIKLNZKXSA-N 1 1 470.618 2.933 20 0 JFADMO CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287265913 1062743137 /nfs/dbraw/zinc/74/31/37/1062743137.db2.gz YLOUFDDSELXUCN-UNMCSNQZSA-N 1 1 496.722 2.748 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC001290859068 1062743401 /nfs/dbraw/zinc/74/34/01/1062743401.db2.gz BZGQYVODIKXOBB-XMMPIXPASA-N 1 1 452.599 2.798 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC001290859020 1062743528 /nfs/dbraw/zinc/74/35/28/1062743528.db2.gz APHJTBFAWAYGBO-UHFFFAOYSA-N 1 1 455.990 2.937 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001290859994 1062744333 /nfs/dbraw/zinc/74/43/33/1062744333.db2.gz NHYHLFLPWORSIA-UHFFFAOYSA-N 1 1 454.562 2.990 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860207 1062744813 /nfs/dbraw/zinc/74/48/13/1062744813.db2.gz XZXFSSZBFIZYRE-VWLOTQADSA-N 1 1 454.590 2.653 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)CC1 ZINC001290862589 1062746411 /nfs/dbraw/zinc/74/64/11/1062746411.db2.gz RAOBNSZPSDEGRH-UHFFFAOYSA-N 1 1 450.562 2.970 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290868455 1062751266 /nfs/dbraw/zinc/75/12/66/1062751266.db2.gz YIJFJKHYONVYGR-YPAWHYETSA-N 1 1 473.710 2.724 20 0 JFADMO CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972880 1062755312 /nfs/dbraw/zinc/75/53/12/1062755312.db2.gz OJQBKKXTEZZHKX-CJFMBICVSA-N 1 1 468.646 2.997 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870452 1062755952 /nfs/dbraw/zinc/75/59/52/1062755952.db2.gz SZGRPGYYRVUUQX-PGRDOPGGSA-N 1 1 453.002 2.921 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001287284437 1062759574 /nfs/dbraw/zinc/75/95/74/1062759574.db2.gz XMSUIPJZHNGNDX-WOJBJXKFSA-N 1 1 459.664 2.794 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877424 1062762149 /nfs/dbraw/zinc/76/21/49/1062762149.db2.gz WBPYEOGDKMFRGC-LJQANCHMSA-N 1 1 461.680 2.620 20 0 JFADMO Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001290879051 1062763232 /nfs/dbraw/zinc/76/32/32/1062763232.db2.gz MMYMCVQPBWAURS-UHFFFAOYSA-N 1 1 478.638 2.891 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290887422 1062766303 /nfs/dbraw/zinc/76/63/03/1062766303.db2.gz FAWHIEFKMFEMQW-SFTDATJTSA-N 1 1 479.000 2.900 20 0 JFADMO CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294982480 1062766842 /nfs/dbraw/zinc/76/68/42/1062766842.db2.gz PMTMVGQFMGIAFA-HXUWFJFHSA-N 1 1 452.607 2.902 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290887570 1062766850 /nfs/dbraw/zinc/76/68/50/1062766850.db2.gz FYSCZKBQYOTWGG-YLJYHZDGSA-N 1 1 464.408 2.774 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC001290890264 1062768203 /nfs/dbraw/zinc/76/82/03/1062768203.db2.gz BNCVYMVHRHYDAD-UZUQRXQVSA-N 1 1 451.546 2.794 20 0 JFADMO COc1cc(OC)cc(N2CCCN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)CC2)c1 ZINC001294985156 1062770957 /nfs/dbraw/zinc/77/09/57/1062770957.db2.gz QABKGWFFAZZCSR-VWLOTQADSA-N 1 1 453.583 2.941 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287304298 1062775160 /nfs/dbraw/zinc/77/51/60/1062775160.db2.gz CJQAPPJUGQIZKP-GGAORHGYSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287304298 1062775178 /nfs/dbraw/zinc/77/51/78/1062775178.db2.gz CJQAPPJUGQIZKP-GGAORHGYSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287306034 1062776899 /nfs/dbraw/zinc/77/68/99/1062776899.db2.gz IPSFEHUBDRDBEE-ONTIZHBOSA-N 1 1 460.667 2.671 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287308480 1062781221 /nfs/dbraw/zinc/78/12/21/1062781221.db2.gz PTOWHININOKSJA-JTHBVZDNSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287308480 1062781241 /nfs/dbraw/zinc/78/12/41/1062781241.db2.gz PTOWHININOKSJA-JTHBVZDNSA-N 1 1 456.635 2.872 20 0 JFADMO Cc1ccc2nc(CSCC(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cn2c1 ZINC001290909288 1062784550 /nfs/dbraw/zinc/78/45/50/1062784550.db2.gz XSNJXBBJPWSJAH-UHFFFAOYSA-N 1 1 451.596 2.580 20 0 JFADMO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001290909132 1062784670 /nfs/dbraw/zinc/78/46/70/1062784670.db2.gz XEQQPTKBYMFPAQ-UHFFFAOYSA-N 1 1 457.884 2.568 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295005315 1062792059 /nfs/dbraw/zinc/79/20/59/1062792059.db2.gz FBTWDZVKWCRLPT-FCHUYYIVSA-N 1 1 476.666 2.543 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001295005820 1062792716 /nfs/dbraw/zinc/79/27/16/1062792716.db2.gz IBGPCXBHKQLNLY-VXKWHMMOSA-N 1 1 476.666 2.543 20 0 JFADMO CCCOCc1ccccc1Cn1c(C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295009002 1062797412 /nfs/dbraw/zinc/79/74/12/1062797412.db2.gz RXZMPVODLNUPFJ-CYFREDJKSA-N 1 1 454.619 2.550 20 0 JFADMO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329175 1062805189 /nfs/dbraw/zinc/80/51/89/1062805189.db2.gz RTRJEACWAUDNSP-JWQCQUIFSA-N 1 1 498.720 2.548 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287350391 1062822927 /nfs/dbraw/zinc/82/29/27/1062822927.db2.gz DDRGKLUHUYISBJ-JOCHJYFZSA-N 1 1 489.686 2.517 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287356022 1062826402 /nfs/dbraw/zinc/82/64/02/1062826402.db2.gz JVTGNGGSOBIGCF-FGZHOGPDSA-N 1 1 459.660 2.665 20 0 JFADMO C[C@@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+]1CCN(c2ccccc2)CC1 ZINC001290954306 1062829400 /nfs/dbraw/zinc/82/94/00/1062829400.db2.gz NKDULFRVKLMLAS-AWEZNQCLSA-N 1 1 458.360 2.972 20 0 JFADMO CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287373302 1062832656 /nfs/dbraw/zinc/83/26/56/1062832656.db2.gz XMZXKVSYIFMXDI-UHFFFAOYSA-N 1 1 485.677 2.919 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001287399999 1062845008 /nfs/dbraw/zinc/84/50/08/1062845008.db2.gz NBOAEKBBUUDQHQ-QFIPXVFZSA-N 1 1 450.534 2.822 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001287399998 1062845119 /nfs/dbraw/zinc/84/51/19/1062845119.db2.gz NBOAEKBBUUDQHQ-JOCHJYFZSA-N 1 1 450.534 2.822 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001295047969 1062851268 /nfs/dbraw/zinc/85/12/68/1062851268.db2.gz BZMYGGYPZYEUDQ-GGPKGHCWSA-N 1 1 472.638 2.997 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCNC(=O)C(C)(C)C ZINC001287412357 1062851487 /nfs/dbraw/zinc/85/14/87/1062851487.db2.gz DUDBENGZLGXUCB-BGYRXZFFSA-N 1 1 462.683 2.965 20 0 JFADMO Cc1nsc(N2CCCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2)n1 ZINC001290973234 1062851663 /nfs/dbraw/zinc/85/16/63/1062851663.db2.gz VILJDHZTCQPIFV-IBGZPJMESA-N 1 1 462.668 2.515 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287413829 1062852921 /nfs/dbraw/zinc/85/29/21/1062852921.db2.gz OUQWSYDGUQPZOE-LJQANCHMSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287413829 1062852947 /nfs/dbraw/zinc/85/29/47/1062852947.db2.gz OUQWSYDGUQPZOE-LJQANCHMSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287414286 1062853777 /nfs/dbraw/zinc/85/37/77/1062853777.db2.gz VAEVWSXWBIIUPD-SZPZYZBQSA-N 1 1 476.710 2.913 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001287414749 1062854342 /nfs/dbraw/zinc/85/43/42/1062854342.db2.gz URXWGQQIWSSGFB-IBGZPJMESA-N 1 1 450.628 2.645 20 0 JFADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCN1CCOCC1(C)C ZINC001287417885 1062855609 /nfs/dbraw/zinc/85/56/09/1062855609.db2.gz GNLNMEBDKQEUMP-UHFFFAOYSA-N 1 1 475.726 2.582 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287419094 1062858005 /nfs/dbraw/zinc/85/80/05/1062858005.db2.gz ACVHFHSAEPQOJC-UHFFFAOYSA-N 1 1 475.682 2.800 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001295054774 1062858604 /nfs/dbraw/zinc/85/86/04/1062858604.db2.gz DOBAGFUIAUVUGJ-LVXARBLLSA-N 1 1 484.645 2.814 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001287420479 1062860703 /nfs/dbraw/zinc/86/07/03/1062860703.db2.gz RQIXPRHTMJDDLM-UHFFFAOYSA-N 1 1 476.691 2.883 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295057598 1062864221 /nfs/dbraw/zinc/86/42/21/1062864221.db2.gz ZEHZGQDYHXOOIT-OTWHNJEPSA-N 1 1 476.597 2.581 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295057598 1062864242 /nfs/dbraw/zinc/86/42/42/1062864242.db2.gz ZEHZGQDYHXOOIT-OTWHNJEPSA-N 1 1 476.597 2.581 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290987316 1062875492 /nfs/dbraw/zinc/87/54/92/1062875492.db2.gz YUAGXTNKUFKXQG-HXUWFJFHSA-N 1 1 498.672 2.932 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001290987316 1062875518 /nfs/dbraw/zinc/87/55/18/1062875518.db2.gz YUAGXTNKUFKXQG-HXUWFJFHSA-N 1 1 498.672 2.932 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287445493 1062879802 /nfs/dbraw/zinc/87/98/02/1062879802.db2.gz AUIPWUIEDIDNCS-LEWJYISDSA-N 1 1 489.709 2.550 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295064424 1062879990 /nfs/dbraw/zinc/87/99/90/1062879990.db2.gz GORDDPIMGQMVMG-KDURUIRLSA-N 1 1 465.602 2.517 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295064424 1062880017 /nfs/dbraw/zinc/88/00/17/1062880017.db2.gz GORDDPIMGQMVMG-KDURUIRLSA-N 1 1 465.602 2.517 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287445892 1062880643 /nfs/dbraw/zinc/88/06/43/1062880643.db2.gz FGUSHTIYKJOZDA-NRFANRHFSA-N 1 1 466.696 2.745 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990181 1062882208 /nfs/dbraw/zinc/88/22/08/1062882208.db2.gz RFJBODQSAIOUHO-CEXWTWQISA-N 1 1 471.654 2.643 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001295066085 1062884470 /nfs/dbraw/zinc/88/44/70/1062884470.db2.gz OFRQNIXQBVKYQI-QGZVFWFLSA-N 1 1 491.434 2.869 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001295067611 1062886541 /nfs/dbraw/zinc/88/65/41/1062886541.db2.gz XBQQBKRZMBSYQP-UHFFFAOYSA-N 1 1 472.634 2.997 20 0 JFADMO CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996244 1062887825 /nfs/dbraw/zinc/88/78/25/1062887825.db2.gz CFRNYXZHZXDNOK-BGYRXZFFSA-N 1 1 455.651 2.981 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001290998699 1062892377 /nfs/dbraw/zinc/89/23/77/1062892377.db2.gz PPVUPEAVSZLGIH-ZCNNSNEGSA-N 1 1 489.690 2.567 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001290999217 1062893700 /nfs/dbraw/zinc/89/37/00/1062893700.db2.gz JPZAUTKRVYDSAR-BGYRXZFFSA-N 1 1 495.672 2.892 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000679 1062896330 /nfs/dbraw/zinc/89/63/30/1062896330.db2.gz WUYZUOOJHHYOLM-PJVZLEMVSA-N 1 1 454.685 2.880 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287461675 1062898956 /nfs/dbraw/zinc/89/89/56/1062898956.db2.gz ABNHZRAZMGOHNJ-RTWAWAEBSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287461675 1062898968 /nfs/dbraw/zinc/89/89/68/1062898968.db2.gz ABNHZRAZMGOHNJ-RTWAWAEBSA-N 1 1 473.691 2.584 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001295075798 1062903188 /nfs/dbraw/zinc/90/31/88/1062903188.db2.gz QLFYOPNZMUGIDP-DENIHFKCSA-N 1 1 470.618 2.890 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462908 1062904832 /nfs/dbraw/zinc/90/48/32/1062904832.db2.gz VAYXGTBREFGMHD-PXDATVDWSA-N 1 1 489.064 2.781 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@@H]2C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009353 1062906136 /nfs/dbraw/zinc/90/61/36/1062906136.db2.gz DPZQRBAJQRNQHR-RDGPPVDQSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@@H]2C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009354 1062906194 /nfs/dbraw/zinc/90/61/94/1062906194.db2.gz DPZQRBAJQRNQHR-ZSYWTGECSA-N 1 1 472.725 2.588 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287463863 1062906567 /nfs/dbraw/zinc/90/65/67/1062906567.db2.gz FWCUAAWOJFUXAL-BGYRXZFFSA-N 1 1 477.698 2.995 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001295078925 1062908416 /nfs/dbraw/zinc/90/84/16/1062908416.db2.gz STWCEDLBIQKHOW-MOPGFXCFSA-N 1 1 457.596 2.679 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001291010607 1062909001 /nfs/dbraw/zinc/90/90/01/1062909001.db2.gz XRGWUAANFZNKRC-KDURUIRLSA-N 1 1 456.639 2.844 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291011395 1062912408 /nfs/dbraw/zinc/91/24/08/1062912408.db2.gz JTGNMJYFOXNMDK-XPWALMASSA-N 1 1 489.709 2.534 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011725 1062913080 /nfs/dbraw/zinc/91/30/80/1062913080.db2.gz OMRQJQHAUGSTKB-ZCNNSNEGSA-N 1 1 456.639 2.512 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011998 1062914830 /nfs/dbraw/zinc/91/48/30/1062914830.db2.gz SJXDOIGDMKJZDA-IIZPIQPGSA-N 1 1 496.722 2.509 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011996 1062914913 /nfs/dbraw/zinc/91/49/13/1062914913.db2.gz SJXDOIGDMKJZDA-CUXKYVRBSA-N 1 1 496.722 2.509 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012478 1062916228 /nfs/dbraw/zinc/91/62/28/1062916228.db2.gz ZVBHPBQYQUINAE-HSALFYBXSA-N 1 1 491.681 2.888 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291012576 1062917390 /nfs/dbraw/zinc/91/73/90/1062917390.db2.gz BEGMMZNOVUSKQE-HDICACEKSA-N 1 1 483.082 2.952 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291013070 1062918998 /nfs/dbraw/zinc/91/89/98/1062918998.db2.gz INKZISFIQTXIEJ-OYRHEFFESA-N 1 1 468.650 2.798 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287471970 1062921317 /nfs/dbraw/zinc/92/13/17/1062921317.db2.gz QLLSMZWMRVWYKN-BGYRXZFFSA-N 1 1 459.614 2.837 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291013801 1062921771 /nfs/dbraw/zinc/92/17/71/1062921771.db2.gz RWGFYEDEYQZRLE-HDICACEKSA-N 1 1 451.612 2.933 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(c4ncccc4C(N)=O)CC3)nnc2C(C)(C)C)C1 ZINC001291014849 1062923896 /nfs/dbraw/zinc/92/38/96/1062923896.db2.gz JCKNIENPDHJMGF-BGYRXZFFSA-N 1 1 482.677 2.764 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287475722 1062926001 /nfs/dbraw/zinc/92/60/01/1062926001.db2.gz YRVQDMYBRWYGAQ-FQEVSTJZSA-N 1 1 459.614 2.574 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291016018 1062927401 /nfs/dbraw/zinc/92/74/01/1062927401.db2.gz ZMBPHIXJGMTCGY-BGYRXZFFSA-N 1 1 474.675 2.645 20 0 JFADMO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094939 1062927674 /nfs/dbraw/zinc/92/76/74/1062927674.db2.gz PRRMTXBJZUHOOC-JXFKEZNVSA-N 1 1 453.486 2.720 20 0 JFADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291018007 1062931713 /nfs/dbraw/zinc/93/17/13/1062931713.db2.gz ZSWGGKDBKSUNTI-BURNTYAHSA-N 1 1 485.633 2.676 20 0 JFADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291018007 1062931744 /nfs/dbraw/zinc/93/17/44/1062931744.db2.gz ZSWGGKDBKSUNTI-BURNTYAHSA-N 1 1 485.633 2.676 20 0 JFADMO CC[N@H+]1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295102956 1062932011 /nfs/dbraw/zinc/93/20/11/1062932011.db2.gz CPQSEHTWKZZBQY-UGKGYDQZSA-N 1 1 455.603 2.920 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287482106 1062938232 /nfs/dbraw/zinc/93/82/32/1062938232.db2.gz OFJLWHXBMKHBNB-UHFFFAOYSA-N 1 1 452.644 2.891 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)OC(C)(C)C2)c1 ZINC001295126006 1062939797 /nfs/dbraw/zinc/93/97/97/1062939797.db2.gz BOGJDMXJBNDRHF-IBGZPJMESA-N 1 1 454.619 2.904 20 0 JFADMO CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295126833 1062943443 /nfs/dbraw/zinc/94/34/43/1062943443.db2.gz IOBODJUORUSDLZ-HSZRJFAPSA-N 1 1 499.685 2.653 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291023080 1062944372 /nfs/dbraw/zinc/94/43/72/1062944372.db2.gz PIEZIMNQBJIDIP-YPAWHYETSA-N 1 1 457.619 2.779 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001287487317 1062944439 /nfs/dbraw/zinc/94/44/39/1062944439.db2.gz QUTGDUCQFPDVSF-NRFANRHFSA-N 1 1 454.619 2.592 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001295127238 1062944887 /nfs/dbraw/zinc/94/48/87/1062944887.db2.gz MLPQIPWFDMPVSP-GHTZIAJQSA-N 1 1 492.690 2.640 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001295127239 1062944926 /nfs/dbraw/zinc/94/49/26/1062944926.db2.gz MLPQIPWFDMPVSP-NQIIRXRSSA-N 1 1 492.690 2.640 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001287487657 1062945157 /nfs/dbraw/zinc/94/51/57/1062945157.db2.gz YOIPOAVPLHKKIU-IBGZPJMESA-N 1 1 461.632 2.634 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001295127240 1062945864 /nfs/dbraw/zinc/94/58/64/1062945864.db2.gz MLPQIPWFDMPVSP-RXVVDRJESA-N 1 1 492.690 2.640 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287504894 1062954173 /nfs/dbraw/zinc/95/41/73/1062954173.db2.gz BFEKADLMJQUDHM-VQTJNVASSA-N 1 1 464.655 2.937 20 0 JFADMO CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287506460 1062954552 /nfs/dbraw/zinc/95/45/52/1062954552.db2.gz SNZCOVJKXUBZHY-QZTJIDSGSA-N 1 1 464.565 2.940 20 0 JFADMO C[C@H]1C[C@@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@@H+]1Cc1ccccc1 ZINC001295142715 1062960866 /nfs/dbraw/zinc/96/08/66/1062960866.db2.gz LILPOOXSGRYBLX-PKOBYXMFSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@H]1C[C@@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@H+]1Cc1ccccc1 ZINC001295142715 1062960881 /nfs/dbraw/zinc/96/08/81/1062960881.db2.gz LILPOOXSGRYBLX-PKOBYXMFSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@H]1C[C@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291032384 1062963005 /nfs/dbraw/zinc/96/30/05/1062963005.db2.gz OKJNDEWOXMYJDA-NZQKXSOJSA-N 1 1 482.654 2.798 20 0 JFADMO C[C@H]1C[C@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291032384 1062963027 /nfs/dbraw/zinc/96/30/27/1062963027.db2.gz OKJNDEWOXMYJDA-NZQKXSOJSA-N 1 1 482.654 2.798 20 0 JFADMO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H](C)C1CCC1 ZINC001295144993 1062963854 /nfs/dbraw/zinc/96/38/54/1062963854.db2.gz MNXKDQNOCCMCNC-IAGOWNOFSA-N 1 1 486.646 2.841 20 0 JFADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145204 1062964316 /nfs/dbraw/zinc/96/43/16/1062964316.db2.gz AZCWUXOGSOHDPN-IEBWSBKVSA-N 1 1 456.486 2.593 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145204 1062964338 /nfs/dbraw/zinc/96/43/38/1062964338.db2.gz AZCWUXOGSOHDPN-IEBWSBKVSA-N 1 1 456.486 2.593 20 0 JFADMO C[C@@H]1C[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291036181 1062967664 /nfs/dbraw/zinc/96/76/64/1062967664.db2.gz LTVRCLLAAJWOFQ-QZTJIDSGSA-N 1 1 460.648 2.720 20 0 JFADMO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295147811 1062968490 /nfs/dbraw/zinc/96/84/90/1062968490.db2.gz MYPPBIXUPNMCSF-QFBILLFUSA-N 1 1 476.578 2.776 20 0 JFADMO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295152830 1062973518 /nfs/dbraw/zinc/97/35/18/1062973518.db2.gz SPFBHDASSZMGBN-HFMPRLQTSA-N 1 1 497.706 2.597 20 0 JFADMO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295152991 1062974001 /nfs/dbraw/zinc/97/40/01/1062974001.db2.gz FVJTWPABHOFDDZ-INIZCTEOSA-N 1 1 485.452 2.535 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 ZINC001291051826 1062982188 /nfs/dbraw/zinc/98/21/88/1062982188.db2.gz KOJQIMLMRURDIM-KDURUIRLSA-N 1 1 474.053 2.682 20 0 JFADMO CCN(c1nnc(-c2ccc(Br)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC001295161850 1062985433 /nfs/dbraw/zinc/98/54/33/1062985433.db2.gz LBCVEZPUKVJYGL-UHFFFAOYSA-N 1 1 461.408 2.860 20 0 JFADMO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001295182545 1063005343 /nfs/dbraw/zinc/00/53/43/1063005343.db2.gz CDNZTKCVVGICCK-HXUWFJFHSA-N 1 1 458.509 2.718 20 0 JFADMO CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287627562 1063008173 /nfs/dbraw/zinc/00/81/73/1063008173.db2.gz DJJMPQSSTMTZBZ-HXUWFJFHSA-N 1 1 458.582 2.785 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001287635764 1063014740 /nfs/dbraw/zinc/01/47/40/1063014740.db2.gz JGUOEGDENAEBGO-JOCHJYFZSA-N 1 1 484.645 2.663 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001287635764 1063014757 /nfs/dbraw/zinc/01/47/57/1063014757.db2.gz JGUOEGDENAEBGO-JOCHJYFZSA-N 1 1 484.645 2.663 20 0 JFADMO C[C@H]1CCC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291068192 1063016094 /nfs/dbraw/zinc/01/60/94/1063016094.db2.gz KNCSAXQAJNOPOT-RBBKRZOGSA-N 1 1 459.683 2.803 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC001295215321 1063028572 /nfs/dbraw/zinc/02/85/72/1063028572.db2.gz CXPLBKBFPRAXRG-RBBKRZOGSA-N 1 1 496.722 2.748 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H](C)C1)C1CCCCC1 ZINC001295216184 1063030683 /nfs/dbraw/zinc/03/06/83/1063030683.db2.gz HFHRQUQYNOQXIA-FPOVZHCZSA-N 1 1 482.695 2.502 20 0 JFADMO C[C@H]1CCCC[C@@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291085339 1063040884 /nfs/dbraw/zinc/04/08/84/1063040884.db2.gz AKPBVAQISYLFSL-SFTDATJTSA-N 1 1 476.666 2.656 20 0 JFADMO C[C@H]1CCCC[C@@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291085339 1063040909 /nfs/dbraw/zinc/04/09/09/1063040909.db2.gz AKPBVAQISYLFSL-SFTDATJTSA-N 1 1 476.666 2.656 20 0 JFADMO CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295228303 1063050422 /nfs/dbraw/zinc/05/04/22/1063050422.db2.gz OVNXLDCREWMBTK-YADHBBJMSA-N 1 1 474.675 2.645 20 0 JFADMO CC(C)Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001287731287 1063053674 /nfs/dbraw/zinc/05/36/74/1063053674.db2.gz FOBPIFKGFUBWCY-RUZDIDTESA-N 1 1 462.683 2.970 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096231 1063056975 /nfs/dbraw/zinc/05/69/75/1063056975.db2.gz ABIYNFGGPILKLM-FSSWDIPSSA-N 1 1 497.706 2.672 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCSCCCO)C1 ZINC001291096468 1063057583 /nfs/dbraw/zinc/05/75/83/1063057583.db2.gz FDJTUKQDFBLROJ-NJYVYQBISA-N 1 1 451.681 2.988 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001291096654 1063057685 /nfs/dbraw/zinc/05/76/85/1063057685.db2.gz IPFNTXDTGHKCDY-MOPGFXCFSA-N 1 1 494.644 2.547 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)C1 ZINC001291096467 1063057779 /nfs/dbraw/zinc/05/77/79/1063057779.db2.gz FDJTUKQDFBLROJ-NJDAHSKKSA-N 1 1 451.681 2.988 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291096862 1063058189 /nfs/dbraw/zinc/05/81/89/1063058189.db2.gz LVAAEUGSGMUBHN-HKBOAZHASA-N 1 1 467.680 2.698 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291096761 1063058321 /nfs/dbraw/zinc/05/83/21/1063058321.db2.gz KFJFWAHZKWENPR-HXUWFJFHSA-N 1 1 489.690 2.855 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 ZINC001291096863 1063058501 /nfs/dbraw/zinc/05/85/01/1063058501.db2.gz LVAAEUGSGMUBHN-NJDAHSKKSA-N 1 1 467.680 2.698 20 0 JFADMO CC(C)CN1C[C@H]2CN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287734027 1063058665 /nfs/dbraw/zinc/05/86/65/1063058665.db2.gz VWPYFNSIGOZSOS-OAQYLSRUSA-N 1 1 487.624 2.919 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096891 1063058966 /nfs/dbraw/zinc/05/89/66/1063058966.db2.gz MLOIGNVNOVBHRR-PKOBYXMFSA-N 1 1 468.593 2.992 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccon2)C1 ZINC001287734198 1063059795 /nfs/dbraw/zinc/05/97/95/1063059795.db2.gz ZWZUOYJSUBXITH-SFHVURJKSA-N 1 1 452.563 2.918 20 0 JFADMO CCN(c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295240040 1063059622 /nfs/dbraw/zinc/05/96/22/1063059622.db2.gz LCMYUFCSXZXKJN-UNMCSNQZSA-N 1 1 459.660 2.951 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001287736578 1063060356 /nfs/dbraw/zinc/06/03/56/1063060356.db2.gz BOUSLBSRRHIQMJ-FQEVSTJZSA-N 1 1 489.690 2.568 20 0 JFADMO CCN(c1nnc(CCc2ccccc2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295240307 1063060353 /nfs/dbraw/zinc/06/03/53/1063060353.db2.gz NPZFTSZOHCGYOX-IFMALSPDSA-N 1 1 459.660 2.809 20 0 JFADMO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1([S@@](C)=O)CC1)C(C)C ZINC001295241121 1063061393 /nfs/dbraw/zinc/06/13/93/1063061393.db2.gz ZKUQBITUQDKULZ-JGCGQSQUSA-N 1 1 458.676 2.789 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)CCN1CC(F)(F)F ZINC001291098629 1063062486 /nfs/dbraw/zinc/06/24/86/1063062486.db2.gz RGGCUZRDUPOESX-RTBURBONSA-N 1 1 485.599 2.851 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291098706 1063062986 /nfs/dbraw/zinc/06/29/86/1063062986.db2.gz STUOTKPBZVDNDQ-FGTMMUONSA-N 1 1 493.596 2.602 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001291098638 1063063090 /nfs/dbraw/zinc/06/30/90/1063063090.db2.gz RKJQSQCFJCGQTH-RTWAWAEBSA-N 1 1 474.675 2.975 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291098688 1063063271 /nfs/dbraw/zinc/06/32/71/1063063271.db2.gz SLVLQQSLPKGTHC-KRWDZBQOSA-N 1 1 472.556 2.672 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291098709 1063063312 /nfs/dbraw/zinc/06/33/12/1063063312.db2.gz STUOTKPBZVDNDQ-SQNIBIBYSA-N 1 1 493.596 2.602 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291098708 1063063363 /nfs/dbraw/zinc/06/33/63/1063063363.db2.gz STUOTKPBZVDNDQ-KZNAEPCWSA-N 1 1 493.596 2.602 20 0 JFADMO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1=O ZINC001287739825 1063064263 /nfs/dbraw/zinc/06/42/63/1063064263.db2.gz BSWYBXQHPCXRFZ-OAQYLSRUSA-N 1 1 497.688 2.998 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291099230 1063064497 /nfs/dbraw/zinc/06/44/97/1063064497.db2.gz DGBCHFMPDBFOHR-HKUYNNGSSA-N 1 1 451.662 2.818 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 ZINC001291099050 1063064771 /nfs/dbraw/zinc/06/47/71/1063064771.db2.gz ATEDOFLNJIQDTQ-PZJWPPBQSA-N 1 1 482.695 2.644 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001291099255 1063065235 /nfs/dbraw/zinc/06/52/35/1063065235.db2.gz DOCJJWITODDUOK-FSSWDIPSSA-N 1 1 496.722 2.892 20 0 JFADMO C[C@H]1CN(c2nnc(CC3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1S(C)(=O)=O ZINC001291099464 1063065965 /nfs/dbraw/zinc/06/59/65/1063065965.db2.gz IEUHZFYDXVKPTG-PMACEKPBSA-N 1 1 466.696 2.745 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001291099774 1063066664 /nfs/dbraw/zinc/06/66/64/1063066664.db2.gz MXTQLJKCFUFONC-CEXWTWQISA-N 1 1 486.583 2.941 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287740935 1063066782 /nfs/dbraw/zinc/06/67/82/1063066782.db2.gz XBBWANHDOBPUJE-OAQYLSRUSA-N 1 1 499.685 2.980 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291100047 1063067451 /nfs/dbraw/zinc/06/74/51/1063067451.db2.gz RJQVGXVOZRTNER-VAMGGRTRSA-N 1 1 489.665 2.939 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291100046 1063067639 /nfs/dbraw/zinc/06/76/39/1063067639.db2.gz RJQVGXVOZRTNER-HSALFYBXSA-N 1 1 489.665 2.939 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001291100756 1063069078 /nfs/dbraw/zinc/06/90/78/1063069078.db2.gz HJAHELPACPHHRW-RBUKOAKNSA-N 1 1 454.685 2.606 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)CC2)C1 ZINC001287742092 1063069411 /nfs/dbraw/zinc/06/94/11/1063069411.db2.gz MBQODZGCHHMYRB-LJQANCHMSA-N 1 1 463.623 2.933 20 0 JFADMO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295256675 1063072906 /nfs/dbraw/zinc/07/29/06/1063072906.db2.gz ORIHTFWFWOHIBQ-QUCCMNQESA-N 1 1 479.622 2.742 20 0 JFADMO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295256674 1063073015 /nfs/dbraw/zinc/07/30/15/1063073015.db2.gz ORIHTFWFWOHIBQ-ICSRJNTNSA-N 1 1 479.622 2.742 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102103 1063075377 /nfs/dbraw/zinc/07/53/77/1063075377.db2.gz HOSIDMITZOUPPT-SVFBPWRDSA-N 1 1 496.722 2.652 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291102363 1063077419 /nfs/dbraw/zinc/07/74/19/1063077419.db2.gz MBGXLCKZWMFBSN-NHCUHLMSSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295260419 1063077569 /nfs/dbraw/zinc/07/75/69/1063077569.db2.gz FICWPHHLVBYQFH-PWRODBHTSA-N 1 1 461.632 2.754 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295260417 1063077624 /nfs/dbraw/zinc/07/76/24/1063077624.db2.gz FICWPHHLVBYQFH-NJDAHSKKSA-N 1 1 461.632 2.754 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103003 1063079259 /nfs/dbraw/zinc/07/92/59/1063079259.db2.gz WTIDFDHMDDPUMW-UXHICEINSA-N 1 1 480.723 2.611 20 0 JFADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291104186 1063082983 /nfs/dbraw/zinc/08/29/83/1063082983.db2.gz QNTSSGJMUWFGQP-HKBOAZHASA-N 1 1 487.693 2.766 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001291104197 1063083506 /nfs/dbraw/zinc/08/35/06/1063083506.db2.gz QPPUAKCIZWPODV-FPOVZHCZSA-N 1 1 480.723 2.849 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287757645 1063084046 /nfs/dbraw/zinc/08/40/46/1063084046.db2.gz JHFZLLJPFWMKHH-UHFFFAOYSA-N 1 1 454.600 2.592 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291104532 1063084904 /nfs/dbraw/zinc/08/49/04/1063084904.db2.gz WEBSBAHYLQTUSQ-FQEVSTJZSA-N 1 1 487.693 2.652 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001287758805 1063085108 /nfs/dbraw/zinc/08/51/08/1063085108.db2.gz DMSQGUCZAAFAAN-JTHBVZDNSA-N 1 1 495.672 2.581 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCS(C)(=O)=O)CC1 ZINC001287762077 1063088479 /nfs/dbraw/zinc/08/84/79/1063088479.db2.gz YFKFZZYZUBUOJI-UHFFFAOYSA-N 1 1 456.616 2.706 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295269064 1063089866 /nfs/dbraw/zinc/08/98/66/1063089866.db2.gz AXKDLOZTWPWFKL-VQTJNVASSA-N 1 1 489.690 2.711 20 0 JFADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106096 1063091690 /nfs/dbraw/zinc/09/16/90/1063091690.db2.gz RLKWZWQDKDBGPF-UHDSXZAQSA-N 1 1 480.601 2.643 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106187 1063092264 /nfs/dbraw/zinc/09/22/64/1063092264.db2.gz SQYOZMDAHXRSGS-RMMWZPCPSA-N 1 1 489.665 2.699 20 0 JFADMO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106663 1063093636 /nfs/dbraw/zinc/09/36/36/1063093636.db2.gz YVMNGTCPLYPYSV-IAGOWNOFSA-N 1 1 462.545 2.993 20 0 JFADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107552 1063097261 /nfs/dbraw/zinc/09/72/61/1063097261.db2.gz KEWAAMXXCNOAFF-QRVBRYPASA-N 1 1 455.669 2.552 20 0 JFADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107734 1063097651 /nfs/dbraw/zinc/09/76/51/1063097651.db2.gz MHHMKPZIIKEIDT-FGTMMUONSA-N 1 1 460.573 2.934 20 0 JFADMO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107736 1063097986 /nfs/dbraw/zinc/09/79/86/1063097986.db2.gz MHHMKPZIIKEIDT-KZNAEPCWSA-N 1 1 460.573 2.934 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291108700 1063101904 /nfs/dbraw/zinc/10/19/04/1063101904.db2.gz ZELJJQNLEFNUII-LEWJYISDSA-N 1 1 453.635 2.689 20 0 JFADMO C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291108568 1063102133 /nfs/dbraw/zinc/10/21/33/1063102133.db2.gz XTZWNZUZMHPSCO-VQTJNVASSA-N 1 1 487.674 2.508 20 0 JFADMO CCN(C1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1)S(C)(=O)=O ZINC001295273347 1063103219 /nfs/dbraw/zinc/10/32/19/1063103219.db2.gz LCBGDOXFRQSLAD-OAQYLSRUSA-N 1 1 488.702 2.798 20 0 JFADMO C[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001291109466 1063104330 /nfs/dbraw/zinc/10/43/30/1063104330.db2.gz MQKXCVHGXYBEFL-VQTJNVASSA-N 1 1 455.607 2.789 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291110079 1063107536 /nfs/dbraw/zinc/10/75/36/1063107536.db2.gz XBXUBQYOVUVYOX-ZCNNSNEGSA-N 1 1 489.665 2.797 20 0 JFADMO CCN(CC(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001295285410 1063131892 /nfs/dbraw/zinc/13/18/92/1063131892.db2.gz QOCUJXHYDZJOTR-UXHICEINSA-N 1 1 484.711 2.604 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123472 1063137214 /nfs/dbraw/zinc/13/72/14/1063137214.db2.gz LNVMREAUCGOASR-UEDWAMCQSA-N 1 1 452.669 2.635 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123689 1063140408 /nfs/dbraw/zinc/14/04/08/1063140408.db2.gz OZEAHKMUXQILBR-NLFFAJNJSA-N 1 1 476.666 2.703 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001291124656 1063143778 /nfs/dbraw/zinc/14/37/78/1063143778.db2.gz HVLRPEHMANGVOI-NRFANRHFSA-N 1 1 473.710 2.779 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125652 1063148589 /nfs/dbraw/zinc/14/85/89/1063148589.db2.gz YHSSXOLOONEHCO-GOSISDBHSA-N 1 1 452.669 2.528 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125903 1063151023 /nfs/dbraw/zinc/15/10/23/1063151023.db2.gz CWWDTPKXXFTHFY-OAQYLSRUSA-N 1 1 495.672 2.889 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(N3CCC(N(C)S(C)(=O)=O)CC3)nnc2C(C)(C)C)C1 ZINC001291125942 1063152228 /nfs/dbraw/zinc/15/22/28/1063152228.db2.gz DKSTVAHYQRRJKU-IBGZPJMESA-N 1 1 468.712 2.948 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126010 1063152260 /nfs/dbraw/zinc/15/22/60/1063152260.db2.gz FIISPIDWYOGTTL-DLBZAZTESA-N 1 1 469.055 2.910 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)Cc2ccccn2)C1 ZINC001291126232 1063153281 /nfs/dbraw/zinc/15/32/81/1063153281.db2.gz IUXASVUCYRNOJA-FQEVSTJZSA-N 1 1 497.669 2.959 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127860 1063161819 /nfs/dbraw/zinc/16/18/19/1063161819.db2.gz NHBZKANYINTTFZ-VQTJNVASSA-N 1 1 485.658 2.732 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291127788 1063161922 /nfs/dbraw/zinc/16/19/22/1063161922.db2.gz MHMXHWHMAFERQL-IBGZPJMESA-N 1 1 454.623 2.550 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127861 1063162010 /nfs/dbraw/zinc/16/20/10/1063162010.db2.gz NHBZKANYINTTFZ-WOJBJXKFSA-N 1 1 485.658 2.732 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291128340 1063163052 /nfs/dbraw/zinc/16/30/52/1063163052.db2.gz VMIMQDDWGZROQF-PMACEKPBSA-N 1 1 470.666 2.788 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128771 1063166442 /nfs/dbraw/zinc/16/64/42/1063166442.db2.gz CHGKCHCYGNSZJC-URVUXULASA-N 1 1 460.667 2.891 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291129252 1063169955 /nfs/dbraw/zinc/16/99/55/1063169955.db2.gz LQCXEUGUNNLCLC-FQEVSTJZSA-N 1 1 453.635 2.737 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001291129935 1063174720 /nfs/dbraw/zinc/17/47/20/1063174720.db2.gz XJVXEYWYXZLMCI-UXHICEINSA-N 1 1 462.639 2.961 20 0 JFADMO C[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001291132746 1063180877 /nfs/dbraw/zinc/18/08/77/1063180877.db2.gz DJOQVQMNSQSZTL-GOSISDBHSA-N 1 1 460.627 2.904 20 0 JFADMO C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291134568 1063184687 /nfs/dbraw/zinc/18/46/87/1063184687.db2.gz KVSPENDRVIIPTK-RBBKRZOGSA-N 1 1 454.619 2.831 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135423 1063188035 /nfs/dbraw/zinc/18/80/35/1063188035.db2.gz BDWLAOBXOODMPJ-YLJYHZDGSA-N 1 1 461.010 2.961 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291135906 1063189649 /nfs/dbraw/zinc/18/96/49/1063189649.db2.gz MEIPONAGFMPTTO-HUUCEWRRSA-N 1 1 479.398 2.998 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291136165 1063190976 /nfs/dbraw/zinc/19/09/76/1063190976.db2.gz RFHRBHJDRWRIOY-RTBURBONSA-N 1 1 488.658 2.599 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291136163 1063191082 /nfs/dbraw/zinc/19/10/82/1063191082.db2.gz RFHRBHJDRWRIOY-OALUTQOASA-N 1 1 488.658 2.599 20 0 JFADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137324 1063194481 /nfs/dbraw/zinc/19/44/81/1063194481.db2.gz ORHFVHVEMOEFIU-GGPKGHCWSA-N 1 1 476.647 2.501 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137404 1063196757 /nfs/dbraw/zinc/19/67/57/1063196757.db2.gz QIHNAJBCXTXEOL-AZUAARDMSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCS(C)(=O)=O ZINC001291137710 1063197873 /nfs/dbraw/zinc/19/78/73/1063197873.db2.gz WFSAMBFATGIHNP-HNNXBMFYSA-N 1 1 470.437 2.673 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291137774 1063198965 /nfs/dbraw/zinc/19/89/65/1063198965.db2.gz XUKAKEKSTVDHKW-SLFFLAALSA-N 1 1 489.665 2.579 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291138378 1063200097 /nfs/dbraw/zinc/20/00/97/1063200097.db2.gz INXHAMRQOWUPFL-QUCCMNQESA-N 1 1 455.607 2.852 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291138376 1063200126 /nfs/dbraw/zinc/20/01/26/1063200126.db2.gz INXHAMRQOWUPFL-AZUAARDMSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291138377 1063200170 /nfs/dbraw/zinc/20/01/70/1063200170.db2.gz INXHAMRQOWUPFL-ICSRJNTNSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001291138631 1063201023 /nfs/dbraw/zinc/20/10/23/1063201023.db2.gz NKPDXFXRAGBYFW-NJDAHSKKSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291139102 1063202130 /nfs/dbraw/zinc/20/21/30/1063202130.db2.gz VWLQDJZKKWBYMR-ROUUACIJSA-N 1 1 477.654 2.577 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291139448 1063203493 /nfs/dbraw/zinc/20/34/93/1063203493.db2.gz CGOWSMKZEYOSOZ-NRFANRHFSA-N 1 1 499.660 2.787 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140477 1063208825 /nfs/dbraw/zinc/20/88/25/1063208825.db2.gz ZFURNDJGBDIEOO-ROUUACIJSA-N 1 1 450.628 2.790 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141438 1063214584 /nfs/dbraw/zinc/21/45/84/1063214584.db2.gz NUAXQFGFNZKQSH-HSZRJFAPSA-N 1 1 481.689 2.901 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219173 /nfs/dbraw/zinc/21/91/73/1063219173.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 1 1 498.720 2.785 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224270 /nfs/dbraw/zinc/22/42/70/1063224270.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 1 1 496.704 2.843 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295327608 1063225415 /nfs/dbraw/zinc/22/54/15/1063225415.db2.gz YWDZJEUVHBLCGD-JTHBVZDNSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295327608 1063225432 /nfs/dbraw/zinc/22/54/32/1063225432.db2.gz YWDZJEUVHBLCGD-JTHBVZDNSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001295329652 1063229522 /nfs/dbraw/zinc/22/95/22/1063229522.db2.gz UCQWEEVNOFAUTR-UHFFFAOYSA-N 1 1 491.640 2.989 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001295329652 1063229540 /nfs/dbraw/zinc/22/95/40/1063229540.db2.gz UCQWEEVNOFAUTR-UHFFFAOYSA-N 1 1 491.640 2.989 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 ZINC001295329666 1063229585 /nfs/dbraw/zinc/22/95/85/1063229585.db2.gz UNHDUNGSWOPJJQ-SANMLTNESA-N 1 1 468.646 2.616 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 ZINC001295329666 1063229602 /nfs/dbraw/zinc/22/96/02/1063229602.db2.gz UNHDUNGSWOPJJQ-SANMLTNESA-N 1 1 468.646 2.616 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2nc3cccc(Cl)c3n2C)CC1 ZINC001295330344 1063230442 /nfs/dbraw/zinc/23/04/42/1063230442.db2.gz WYTYOVBMOANJMS-UHFFFAOYSA-N 1 1 473.025 2.555 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2nc3cccc(Cl)c3n2C)CC1 ZINC001295330344 1063230455 /nfs/dbraw/zinc/23/04/55/1063230455.db2.gz WYTYOVBMOANJMS-UHFFFAOYSA-N 1 1 473.025 2.555 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(F)c2)CC1 ZINC001295333802 1063232684 /nfs/dbraw/zinc/23/26/84/1063232684.db2.gz ALXBTDDDCQPRFG-QFIPXVFZSA-N 1 1 486.636 2.934 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(F)c2)CC1 ZINC001295333802 1063232704 /nfs/dbraw/zinc/23/27/04/1063232704.db2.gz ALXBTDDDCQPRFG-QFIPXVFZSA-N 1 1 486.636 2.934 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295334047 1063235421 /nfs/dbraw/zinc/23/54/21/1063235421.db2.gz GSPXIRGFCZMNFS-URXFXBBRSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295334047 1063235444 /nfs/dbraw/zinc/23/54/44/1063235444.db2.gz GSPXIRGFCZMNFS-URXFXBBRSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295334413 1063238839 /nfs/dbraw/zinc/23/88/39/1063238839.db2.gz NJZYEFRCOCZWAT-HXUWFJFHSA-N 1 1 490.599 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295334413 1063238860 /nfs/dbraw/zinc/23/88/60/1063238860.db2.gz NJZYEFRCOCZWAT-HXUWFJFHSA-N 1 1 490.599 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC2(SC)CC2)CC1 ZINC001295334399 1063239043 /nfs/dbraw/zinc/23/90/43/1063239043.db2.gz MUSJUHOQTZRCJU-UHFFFAOYSA-N 1 1 471.675 2.540 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CC2(SC)CC2)CC1 ZINC001295334399 1063239065 /nfs/dbraw/zinc/23/90/65/1063239065.db2.gz MUSJUHOQTZRCJU-UHFFFAOYSA-N 1 1 471.675 2.540 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001295334486 1063239948 /nfs/dbraw/zinc/23/99/48/1063239948.db2.gz PPEACNLLLFSKHW-CPJSRVTESA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001295334486 1063239962 /nfs/dbraw/zinc/23/99/62/1063239962.db2.gz PPEACNLLLFSKHW-CPJSRVTESA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 ZINC001295334502 1063240959 /nfs/dbraw/zinc/24/09/59/1063240959.db2.gz PZXGMNUSEZHBTC-OAQYLSRUSA-N 1 1 472.609 2.544 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 ZINC001295334502 1063240980 /nfs/dbraw/zinc/24/09/80/1063240980.db2.gz PZXGMNUSEZHBTC-OAQYLSRUSA-N 1 1 472.609 2.544 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001291152370 1063242169 /nfs/dbraw/zinc/24/21/69/1063242169.db2.gz MQEDZLQVCSJGHP-OALUTQOASA-N 1 1 461.632 2.696 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001295334978 1063246626 /nfs/dbraw/zinc/24/66/26/1063246626.db2.gz KUTOLRTWDGZAOQ-HSZRJFAPSA-N 1 1 468.646 2.623 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001295334978 1063246650 /nfs/dbraw/zinc/24/66/50/1063246650.db2.gz KUTOLRTWDGZAOQ-HSZRJFAPSA-N 1 1 468.646 2.623 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC001295335451 1063251935 /nfs/dbraw/zinc/25/19/35/1063251935.db2.gz YFZVDMVNSMGGIP-UHFFFAOYSA-N 1 1 481.689 2.840 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001295335439 1063252141 /nfs/dbraw/zinc/25/21/41/1063252141.db2.gz XVOIGCYIPRVXNV-FCHUYYIVSA-N 1 1 470.666 2.737 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001295335439 1063252164 /nfs/dbraw/zinc/25/21/64/1063252164.db2.gz XVOIGCYIPRVXNV-FCHUYYIVSA-N 1 1 470.666 2.737 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001291167916 1063257625 /nfs/dbraw/zinc/25/76/25/1063257625.db2.gz WTUCRDWCRGWRIU-HKBOAZHASA-N 1 1 492.665 2.670 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295336814 1063260037 /nfs/dbraw/zinc/26/00/37/1063260037.db2.gz WTSXKTRXNMGCAD-JOCHJYFZSA-N 1 1 467.662 2.728 20 0 JFADMO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171748 1063260549 /nfs/dbraw/zinc/26/05/49/1063260549.db2.gz QFUCIVYNLJJVTM-KCZVDYSFSA-N 1 1 453.635 2.689 20 0 JFADMO C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291171874 1063260645 /nfs/dbraw/zinc/26/06/45/1063260645.db2.gz SHLPXFAFQCODAY-NRFANRHFSA-N 1 1 461.614 2.843 20 0 JFADMO CC1CC[NH+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001291184462 1063283461 /nfs/dbraw/zinc/28/34/61/1063283461.db2.gz AYHALLBXHDQHPW-SFHVURJKSA-N 1 1 467.586 2.827 20 0 JFADMO CC1CC[NH+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001291184656 1063284035 /nfs/dbraw/zinc/28/40/35/1063284035.db2.gz GRYYWEPXUPBYET-MRXNPFEDSA-N 1 1 463.570 2.691 20 0 JFADMO CC1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001291186093 1063288774 /nfs/dbraw/zinc/28/87/74/1063288774.db2.gz ZEQJJWNJPIAVNC-UHFFFAOYSA-N 1 1 479.622 2.742 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C2CC2)C[C@H](C)O1 ZINC001291186890 1063292772 /nfs/dbraw/zinc/29/27/72/1063292772.db2.gz LGSBEICRMKZJCA-HDICACEKSA-N 1 1 490.674 2.682 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187705 1063297437 /nfs/dbraw/zinc/29/74/37/1063297437.db2.gz YFUFARHZYLGFGX-OTWHNJEPSA-N 1 1 484.711 2.793 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291187998 1063299709 /nfs/dbraw/zinc/29/97/09/1063299709.db2.gz COGPKUBKOXCSFQ-HDICACEKSA-N 1 1 488.608 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291188128 1063300666 /nfs/dbraw/zinc/30/06/66/1063300666.db2.gz FZHBHQCBMKUVJT-KDURUIRLSA-N 1 1 477.604 2.539 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291188703 1063304798 /nfs/dbraw/zinc/30/47/98/1063304798.db2.gz PGLOJLQMNNFNFB-BGYRXZFFSA-N 1 1 498.672 2.979 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295355641 1063310133 /nfs/dbraw/zinc/31/01/33/1063310133.db2.gz OZRPFEBLYOTRFZ-FGZHOGPDSA-N 1 1 482.677 2.968 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295356195 1063311586 /nfs/dbraw/zinc/31/15/86/1063311586.db2.gz ROPGZGLYHWLNNN-OYRHEFFESA-N 1 1 463.671 2.560 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001291197386 1063342984 /nfs/dbraw/zinc/34/29/84/1063342984.db2.gz DCZCHOXIUMHCQQ-JKSUJKDBSA-N 1 1 469.512 2.812 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291198058 1063347288 /nfs/dbraw/zinc/34/72/88/1063347288.db2.gz OZTCCGVYZCAVMF-FFZYEISDSA-N 1 1 487.674 2.783 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291209810 1063385556 /nfs/dbraw/zinc/38/55/56/1063385556.db2.gz RNEQDUMCOLKGKF-SFHLNBCPSA-N 1 1 488.608 2.725 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295398944 1063386051 /nfs/dbraw/zinc/38/60/51/1063386051.db2.gz VRNPOOVWWJWRGX-MJGOQNOKSA-N 1 1 458.588 2.640 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291212453 1063399099 /nfs/dbraw/zinc/39/90/99/1063399099.db2.gz OJSRCHVJRYWIMN-GOSISDBHSA-N 1 1 496.077 2.970 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC001291212728 1063399624 /nfs/dbraw/zinc/39/96/24/1063399624.db2.gz SYVBLTHJSZTCLT-HNNXBMFYSA-N 1 1 467.412 2.762 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOCC2(C)C)CCCO1 ZINC001291212728 1063399643 /nfs/dbraw/zinc/39/96/43/1063399643.db2.gz SYVBLTHJSZTCLT-HNNXBMFYSA-N 1 1 467.412 2.762 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001295428253 1063440872 /nfs/dbraw/zinc/44/08/72/1063440872.db2.gz PHSIKQRDDBVFMD-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCOCC1(C)C ZINC001295428253 1063440886 /nfs/dbraw/zinc/44/08/86/1063440886.db2.gz PHSIKQRDDBVFMD-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295441384 1063447629 /nfs/dbraw/zinc/44/76/29/1063447629.db2.gz RCRFKFSWJNFFAZ-QFIPXVFZSA-N 1 1 450.583 2.690 20 0 JFADMO CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001295448816 1063453580 /nfs/dbraw/zinc/45/35/80/1063453580.db2.gz XFPOMZHWYOOXBS-UHFFFAOYSA-N 1 1 450.628 2.961 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C)CC1 ZINC001295466644 1063472805 /nfs/dbraw/zinc/47/28/05/1063472805.db2.gz XTQHBGRMLSXXKV-SFHVURJKSA-N 1 1 462.664 2.609 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232446 1063491031 /nfs/dbraw/zinc/49/10/31/1063491031.db2.gz MTWDXANWKKTGMB-QUCCMNQESA-N 1 1 485.633 2.800 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232446 1063491047 /nfs/dbraw/zinc/49/10/47/1063491047.db2.gz MTWDXANWKKTGMB-QUCCMNQESA-N 1 1 485.633 2.800 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291234181 1063494904 /nfs/dbraw/zinc/49/49/04/1063494904.db2.gz QXBYWIOOSFRWIF-UYAOXDASSA-N 1 1 473.622 2.687 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001291241027 1063510687 /nfs/dbraw/zinc/51/06/87/1063510687.db2.gz JBNWLIQKFJXFGT-NCOADZHNSA-N 1 1 458.529 2.506 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@H+](C2CCC2)C1 ZINC001291240858 1063510845 /nfs/dbraw/zinc/51/08/45/1063510845.db2.gz GYGPQMWEELCWBF-GXTWGEPZSA-N 1 1 461.355 2.528 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291249530 1063526513 /nfs/dbraw/zinc/52/65/13/1063526513.db2.gz GQTNCPXTCOYVLM-IBGZPJMESA-N 1 1 456.639 2.796 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291249959 1063528422 /nfs/dbraw/zinc/52/84/22/1063528422.db2.gz LUKKMRFXAHKCTG-NJDAHSKKSA-N 1 1 492.665 2.586 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291262014 1063558638 /nfs/dbraw/zinc/55/86/38/1063558638.db2.gz LLXIEXHUVYGVLI-VQIMIIECSA-N 1 1 453.509 2.794 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291264560 1063563862 /nfs/dbraw/zinc/56/38/62/1063563862.db2.gz FHDUHRHVGUWJPK-AEFFLSMTSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291264560 1063563880 /nfs/dbraw/zinc/56/38/80/1063563880.db2.gz FHDUHRHVGUWJPK-AEFFLSMTSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@@H]1CN(c2nnc(CC3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291270578 1063576357 /nfs/dbraw/zinc/57/63/57/1063576357.db2.gz KOTGQFHKPNKBQJ-MJGOQNOKSA-N 1 1 458.573 2.540 20 0 JFADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291274713 1063580841 /nfs/dbraw/zinc/58/08/41/1063580841.db2.gz GAYNAMYEMXPYKI-FDFHNCONSA-N 1 1 471.719 2.923 20 0 JFADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291274715 1063580886 /nfs/dbraw/zinc/58/08/86/1063580886.db2.gz GAYNAMYEMXPYKI-YPAWHYETSA-N 1 1 471.719 2.923 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001295567949 1063602549 /nfs/dbraw/zinc/60/25/49/1063602549.db2.gz MAMKMAGLYBHRNW-GGAORHGYSA-N 1 1 455.651 2.543 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001291281720 1063609611 /nfs/dbraw/zinc/60/96/11/1063609611.db2.gz CJIVJSMZOXFYIE-SFHVURJKSA-N 1 1 458.582 2.785 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001295578659 1063618968 /nfs/dbraw/zinc/61/89/68/1063618968.db2.gz NUTLXCBCTCEQLE-LJQANCHMSA-N 1 1 481.645 2.725 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCC[C@@H]1C ZINC001295582711 1063625820 /nfs/dbraw/zinc/62/58/20/1063625820.db2.gz CNHNAECPZDKXGG-IBGZPJMESA-N 1 1 464.618 2.891 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285323 1063626010 /nfs/dbraw/zinc/62/60/10/1063626010.db2.gz OXSCKSAYFJHBRA-GXRSIYKFSA-N 1 1 490.693 2.755 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285324 1063626068 /nfs/dbraw/zinc/62/60/68/1063626068.db2.gz OXSCKSAYFJHBRA-LNRXMEIDSA-N 1 1 490.693 2.755 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291285513 1063627058 /nfs/dbraw/zinc/62/70/58/1063627058.db2.gz SHSQXXFVXQWQJD-BRSBDYLESA-N 1 1 461.529 2.642 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001295583503 1063627237 /nfs/dbraw/zinc/62/72/37/1063627237.db2.gz HVJSPOIWSWTRON-UGKGYDQZSA-N 1 1 481.645 2.689 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001291287776 1063643049 /nfs/dbraw/zinc/64/30/49/1063643049.db2.gz HPSKIXOVUOQVLB-IYBDPMFKSA-N 1 1 491.438 2.905 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC001291288120 1063646696 /nfs/dbraw/zinc/64/66/96/1063646696.db2.gz NGMSYKCDYSTNFP-OSPHWJPCSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@@H]1CN(Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288410 1063648330 /nfs/dbraw/zinc/64/83/30/1063648330.db2.gz RTPIUHOFNYLFJT-HXUWFJFHSA-N 1 1 450.635 2.977 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cc[nH+]c1C ZINC001295604253 1063649126 /nfs/dbraw/zinc/64/91/26/1063649126.db2.gz UPLUZJOUECJLMW-HXUWFJFHSA-N 1 1 472.615 2.811 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288555 1063650316 /nfs/dbraw/zinc/65/03/16/1063650316.db2.gz UNAVLOOACLVKFE-WEMPKCCASA-N 1 1 490.674 2.511 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288880 1063653256 /nfs/dbraw/zinc/65/32/56/1063653256.db2.gz ZSKZJNYNKZOERE-ZWKOTPCHSA-N 1 1 461.010 2.766 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCN1CC(F)(F)F ZINC001291289170 1063654777 /nfs/dbraw/zinc/65/47/77/1063654777.db2.gz FQIDZTGUBNZBOJ-RTBURBONSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCN1CC(F)(F)F ZINC001291289167 1063654933 /nfs/dbraw/zinc/65/49/33/1063654933.db2.gz FQIDZTGUBNZBOJ-MOPGFXCFSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCO1 ZINC001291290064 1063662337 /nfs/dbraw/zinc/66/23/37/1063662337.db2.gz URSKOJHYUJTHJS-SFHVURJKSA-N 1 1 484.066 2.970 20 0 JFADMO C[C@@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290166 1063663091 /nfs/dbraw/zinc/66/30/91/1063663091.db2.gz VRVCMHCPRSTGOB-RTBURBONSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291290344 1063663931 /nfs/dbraw/zinc/66/39/31/1063663931.db2.gz YPASRWRIPJDTOV-ZWKOTPCHSA-N 1 1 461.010 2.766 20 0 JFADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291110 1063666698 /nfs/dbraw/zinc/66/66/98/1063666698.db2.gz KFMUSMGHLILRCA-UGTOYMOASA-N 1 1 484.645 2.892 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@H](C)O1 ZINC001291291052 1063666763 /nfs/dbraw/zinc/66/67/63/1063666763.db2.gz JHWBKNNCFSPCRU-SOLBZPMBSA-N 1 1 472.556 2.897 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291326 1063670291 /nfs/dbraw/zinc/67/02/91/1063670291.db2.gz NCMQQDIYVNYUOB-MBDNFAEBSA-N 1 1 476.666 2.760 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291292120 1063673953 /nfs/dbraw/zinc/67/39/53/1063673953.db2.gz ZBMFQTQLDCNBML-SOLBZPMBSA-N 1 1 455.529 2.957 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291292410 1063675908 /nfs/dbraw/zinc/67/59/08/1063675908.db2.gz DBNXBXHMWJXXMH-MOPGFXCFSA-N 1 1 475.037 2.690 20 0 JFADMO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291293111 1063681959 /nfs/dbraw/zinc/68/19/59/1063681959.db2.gz PEEIEYMNSZLZQG-VQTJNVASSA-N 1 1 495.594 2.838 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001291293234 1063683736 /nfs/dbraw/zinc/68/37/36/1063683736.db2.gz RETLGLKTABTMOJ-HXUWFJFHSA-N 1 1 474.675 2.736 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291293338 1063684351 /nfs/dbraw/zinc/68/43/51/1063684351.db2.gz SVYFRDRLKOXXTN-WSTZPKSXSA-N 1 1 462.639 2.833 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291293425 1063684556 /nfs/dbraw/zinc/68/45/56/1063684556.db2.gz UTVVVWIPGCWVFH-FUPPJEDESA-N 1 1 468.646 2.654 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001295645848 1063686570 /nfs/dbraw/zinc/68/65/70/1063686570.db2.gz BHTWNZDSFBKEJO-HXUWFJFHSA-N 1 1 456.639 2.929 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294022 1063686801 /nfs/dbraw/zinc/68/68/01/1063686801.db2.gz CYICPONJVSVACI-WBVHZDCISA-N 1 1 482.398 2.919 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294110 1063688566 /nfs/dbraw/zinc/68/85/66/1063688566.db2.gz FGLAKMOJZDJLAN-RXVVDRJESA-N 1 1 474.675 2.855 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291294238 1063688622 /nfs/dbraw/zinc/68/86/22/1063688622.db2.gz GWBYFVPUDPNDJC-PLACYPQZSA-N 1 1 499.722 2.567 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295465 1063695855 /nfs/dbraw/zinc/69/58/55/1063695855.db2.gz ZJMPDYFRZQONED-DLBZAZTESA-N 1 1 464.408 2.780 20 0 JFADMO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001295670895 1063711652 /nfs/dbraw/zinc/71/16/52/1063711652.db2.gz YESFKUGZZPYBIF-ROUUACIJSA-N 1 1 473.647 2.880 20 0 JFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(N4C[C@@H](C)O[C@@H](C)C4)ccn3)cc2)CC1 ZINC001295683489 1063718373 /nfs/dbraw/zinc/71/83/73/1063718373.db2.gz MPKMNNNCYKBAMW-KDURUIRLSA-N 1 1 451.571 2.612 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306650 1063719303 /nfs/dbraw/zinc/71/93/03/1063719303.db2.gz DLNNLSLKDGAMTE-HOTGVXAUSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306650 1063719322 /nfs/dbraw/zinc/71/93/22/1063719322.db2.gz DLNNLSLKDGAMTE-HOTGVXAUSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001291307040 1063721179 /nfs/dbraw/zinc/72/11/79/1063721179.db2.gz LLTQIRMYYNTRME-OAHLLOKOSA-N 1 1 494.463 2.902 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001291307040 1063721196 /nfs/dbraw/zinc/72/11/96/1063721196.db2.gz LLTQIRMYYNTRME-OAHLLOKOSA-N 1 1 494.463 2.902 20 0 JFADMO CCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295692627 1063721840 /nfs/dbraw/zinc/72/18/40/1063721840.db2.gz KFZZMMMHOFDPAY-UHFFFAOYSA-N 1 1 459.664 2.532 20 0 JFADMO CCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295692627 1063721858 /nfs/dbraw/zinc/72/18/58/1063721858.db2.gz KFZZMMMHOFDPAY-UHFFFAOYSA-N 1 1 459.664 2.532 20 0 JFADMO CCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295692627 1063721874 /nfs/dbraw/zinc/72/18/74/1063721874.db2.gz KFZZMMMHOFDPAY-UHFFFAOYSA-N 1 1 459.664 2.532 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001291307229 1063722623 /nfs/dbraw/zinc/72/26/23/1063722623.db2.gz PCHWVEIAJGMPDJ-HZPDHXFCSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001291307229 1063722637 /nfs/dbraw/zinc/72/26/37/1063722637.db2.gz PCHWVEIAJGMPDJ-HZPDHXFCSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291307373 1063723119 /nfs/dbraw/zinc/72/31/19/1063723119.db2.gz SCOAWVQSVZNSPC-KRWDZBQOSA-N 1 1 469.977 2.789 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291307373 1063723136 /nfs/dbraw/zinc/72/31/36/1063723136.db2.gz SCOAWVQSVZNSPC-KRWDZBQOSA-N 1 1 469.977 2.789 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307727 1063725641 /nfs/dbraw/zinc/72/56/41/1063725641.db2.gz AGAHRLGDXVGBJD-MOPGFXCFSA-N 1 1 471.606 2.506 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307727 1063725650 /nfs/dbraw/zinc/72/56/50/1063725650.db2.gz AGAHRLGDXVGBJD-MOPGFXCFSA-N 1 1 471.606 2.506 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001295713670 1063731907 /nfs/dbraw/zinc/73/19/07/1063731907.db2.gz GZZCQMWPTLQBBY-GOTSBHOMSA-N 1 1 484.645 2.713 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291320840 1063760385 /nfs/dbraw/zinc/76/03/85/1063760385.db2.gz BIBWANWBPOOHNH-QVKFZJNVSA-N 1 1 481.439 2.886 20 0 JFADMO CCN(CC1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001295761454 1063765051 /nfs/dbraw/zinc/76/50/51/1063765051.db2.gz BUGQFNGYAHXQRP-AREMUKBSSA-N 1 1 499.660 2.880 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C(C)C)C1)CC(F)(F)F ZINC001295763434 1063769510 /nfs/dbraw/zinc/76/95/10/1063769510.db2.gz NGOJROVNCAMZIO-QGZVFWFLSA-N 1 1 456.561 2.729 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001295764099 1063770922 /nfs/dbraw/zinc/77/09/22/1063770922.db2.gz RKTWDDBWIHCHQY-SFHVURJKSA-N 1 1 466.556 2.651 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295766355 1063774829 /nfs/dbraw/zinc/77/48/29/1063774829.db2.gz LIIJHGSJVNFMDE-GHTZIAJQSA-N 1 1 486.608 2.708 20 0 JFADMO C[C@@H]1SCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001291331382 1063786911 /nfs/dbraw/zinc/78/69/11/1063786911.db2.gz IKYPLZSVRCDTDF-ZJOUEHCJSA-N 1 1 471.675 2.537 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001291334861 1063793689 /nfs/dbraw/zinc/79/36/89/1063793689.db2.gz GEPRUQCRNWDXHD-MOPGFXCFSA-N 1 1 496.641 2.785 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291340425 1063817443 /nfs/dbraw/zinc/81/74/43/1063817443.db2.gz JEZSZKCVVDIWGT-CEXWTWQISA-N 1 1 457.623 2.656 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)C(C)C ZINC001295816453 1063822333 /nfs/dbraw/zinc/82/23/33/1063822333.db2.gz WYNNWZYGBMYRFH-UHFFFAOYSA-N 1 1 481.645 2.643 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001291341570 1063822926 /nfs/dbraw/zinc/82/29/26/1063822926.db2.gz FXKQAKYBEFFITM-SFTDATJTSA-N 1 1 469.634 2.644 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1)C(C)C ZINC001295819917 1063824110 /nfs/dbraw/zinc/82/41/10/1063824110.db2.gz WKUCCOXZJWZRIV-HNNXBMFYSA-N 1 1 499.479 2.901 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001295820286 1063824793 /nfs/dbraw/zinc/82/47/93/1063824793.db2.gz ARMVPLJZJLFRPN-LJQANCHMSA-N 1 1 496.660 2.788 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1)C1CC1 ZINC001295820565 1063825339 /nfs/dbraw/zinc/82/53/39/1063825339.db2.gz DCYURPJHQFOMGU-UGKGYDQZSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295820586 1063825361 /nfs/dbraw/zinc/82/53/61/1063825361.db2.gz DXIICPMQJBXKHT-MJGOQNOKSA-N 1 1 498.632 2.759 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291342396 1063825402 /nfs/dbraw/zinc/82/54/02/1063825402.db2.gz SUIGDXWTWLYREE-QFIPXVFZSA-N 1 1 459.683 2.704 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C2CCOCC2)C1)CCC(F)(F)F ZINC001295821048 1063827178 /nfs/dbraw/zinc/82/71/78/1063827178.db2.gz LRRSVQKUAJYFPN-GOSISDBHSA-N 1 1 474.572 2.944 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1)C(C)C ZINC001295822125 1063827791 /nfs/dbraw/zinc/82/77/91/1063827791.db2.gz WRNBIIWSCSEGMU-UHFFFAOYSA-N 1 1 495.607 2.907 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001291343023 1063827912 /nfs/dbraw/zinc/82/79/12/1063827912.db2.gz FCTUDFUCXNUYIA-BAGYTPMASA-N 1 1 454.619 2.798 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001291343026 1063827969 /nfs/dbraw/zinc/82/79/69/1063827969.db2.gz FCTUDFUCXNUYIA-KSEOMHKRSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC(=O)NC)CC1)C1CC1 ZINC001295822611 1063829251 /nfs/dbraw/zinc/82/92/51/1063829251.db2.gz CRVWVTKIYOTJAR-UHFFFAOYSA-N 1 1 492.466 2.883 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](NC(C)=O)C1)C1CC1 ZINC001295823973 1063830949 /nfs/dbraw/zinc/83/09/49/1063830949.db2.gz ZHKRIKXVEUXEJE-QGZVFWFLSA-N 1 1 478.439 2.635 20 0 JFADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1)C(C)C ZINC001295823894 1063831150 /nfs/dbraw/zinc/83/11/50/1063831150.db2.gz WLVFQSRZAUCGQZ-SFHVURJKSA-N 1 1 463.652 2.502 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)C(=O)C1)C1CC1 ZINC001295825145 1063833484 /nfs/dbraw/zinc/83/34/84/1063833484.db2.gz OKDSGVKYZGCBMA-UHFFFAOYSA-N 1 1 478.439 2.825 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295826770 1063834761 /nfs/dbraw/zinc/83/47/61/1063834761.db2.gz AKYCXRAUZWTOTH-UHFFFAOYSA-N 1 1 450.465 2.902 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001291345414 1063839926 /nfs/dbraw/zinc/83/99/26/1063839926.db2.gz XELRFKAOABHPLO-QHCPKHFHSA-N 1 1 461.614 2.891 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(F)cc2Br)nnc1N(C)CCS(C)(=O)=O)C1CC1 ZINC001295829863 1063842864 /nfs/dbraw/zinc/84/28/64/1063842864.db2.gz KXKFPUDTQICGNI-UHFFFAOYSA-N 1 1 488.427 2.812 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)CCC(F)(F)F ZINC001295830144 1063844129 /nfs/dbraw/zinc/84/41/29/1063844129.db2.gz NJCWTTIAMANTQJ-MRXNPFEDSA-N 1 1 498.550 2.904 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001291346583 1063845498 /nfs/dbraw/zinc/84/54/98/1063845498.db2.gz VUQCYUOUYQPZSY-PKTZIBPZSA-N 1 1 498.672 2.937 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(N)=O)C1)CCC(F)(F)F ZINC001295831484 1063846468 /nfs/dbraw/zinc/84/64/68/1063846468.db2.gz YATUOKNSHYLTMZ-CQSZACIVSA-N 1 1 459.904 2.579 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001291347002 1063847462 /nfs/dbraw/zinc/84/74/62/1063847462.db2.gz DGQFYKDVPMMDBC-JTHBVZDNSA-N 1 1 498.672 2.937 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001291347184 1063848025 /nfs/dbraw/zinc/84/80/25/1063848025.db2.gz IAGCCQKNVCASIU-NHCUHLMSSA-N 1 1 458.582 2.896 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Br)nnc1N(C)CCN1CCOCC1)C1CC1 ZINC001295833661 1063848097 /nfs/dbraw/zinc/84/80/97/1063848097.db2.gz AGRWADOZYCONPG-UHFFFAOYSA-N 1 1 477.451 2.960 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001295833700 1063848579 /nfs/dbraw/zinc/84/85/79/1063848579.db2.gz BYTFNOGBGLZADV-DHLKQENFSA-N 1 1 481.689 2.973 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1)C1CC1 ZINC001295833768 1063848707 /nfs/dbraw/zinc/84/87/07/1063848707.db2.gz FBFGRFJREBNONX-UHFFFAOYSA-N 1 1 476.423 2.653 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001295835818 1063851905 /nfs/dbraw/zinc/85/19/05/1063851905.db2.gz JRZCAGHHXMAPTP-UHFFFAOYSA-N 1 1 481.066 2.943 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836220 1063852499 /nfs/dbraw/zinc/85/24/99/1063852499.db2.gz POVLLKWCXRNBGD-DYESRHJHSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)CCC(F)(F)F ZINC001295836177 1063852646 /nfs/dbraw/zinc/85/26/46/1063852646.db2.gz OYSAPXXWNUDOCR-OAHLLOKOSA-N 1 1 469.487 2.572 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291348839 1063854866 /nfs/dbraw/zinc/85/48/66/1063854866.db2.gz YHIJHAGZLFAVHN-KEZQHZCBSA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295837649 1063855500 /nfs/dbraw/zinc/85/55/00/1063855500.db2.gz ASWLIRMBSJEAHF-GOSISDBHSA-N 1 1 480.539 2.958 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC001295838067 1063856065 /nfs/dbraw/zinc/85/60/65/1063856065.db2.gz SILKXRWMUURNBE-DHIUTWEWSA-N 1 1 496.704 2.887 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295838627 1063856579 /nfs/dbraw/zinc/85/65/79/1063856579.db2.gz KNOSTRHYNGZEBT-APWZRJJASA-N 1 1 458.611 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001295838125 1063856656 /nfs/dbraw/zinc/85/66/56/1063856656.db2.gz UGBYKNOLRSTIPZ-UHFFFAOYSA-N 1 1 465.524 2.721 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295841473 1063860301 /nfs/dbraw/zinc/86/03/01/1063860301.db2.gz HAJZLJWBTVMXPH-INIZCTEOSA-N 1 1 463.512 2.737 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1)CCC(F)(F)F ZINC001295841667 1063861694 /nfs/dbraw/zinc/86/16/94/1063861694.db2.gz MWVXPXUIJAMHMQ-UHFFFAOYSA-N 1 1 497.595 2.732 20 0 JFADMO CC[N@@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCCO1)C(C)C ZINC001295842581 1063862874 /nfs/dbraw/zinc/86/28/74/1063862874.db2.gz YHSGKQRUKZOROR-IBGZPJMESA-N 1 1 477.679 2.974 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001295844513 1063863906 /nfs/dbraw/zinc/86/39/06/1063863906.db2.gz CFPHPJFAQSVQJJ-RBUKOAKNSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1)C(C)C ZINC001295845418 1063867130 /nfs/dbraw/zinc/86/71/30/1063867130.db2.gz NAERUIVVTPQCLH-NRFANRHFSA-N 1 1 472.609 2.673 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291359751 1063869209 /nfs/dbraw/zinc/86/92/09/1063869209.db2.gz LXFNWZREAQDDAD-IMWIBFENSA-N 1 1 461.582 2.877 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291359749 1063869311 /nfs/dbraw/zinc/86/93/11/1063869311.db2.gz LXFNWZREAQDDAD-GLDPYIMESA-N 1 1 461.582 2.877 20 0 JFADMO CC[N@@H+](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCc1cnccn1)C(C)C ZINC001295847037 1063869754 /nfs/dbraw/zinc/86/97/54/1063869754.db2.gz YFEKCNWDMUQRNC-UHFFFAOYSA-N 1 1 461.574 2.793 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001295852626 1063877478 /nfs/dbraw/zinc/87/74/78/1063877478.db2.gz KAZSSPOXNCXDTM-SFTDATJTSA-N 1 1 475.659 2.816 20 0 JFADMO CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001295853144 1063878985 /nfs/dbraw/zinc/87/89/85/1063878985.db2.gz ODUKBXSJQUENSS-RTWAWAEBSA-N 1 1 492.665 2.730 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1)C1CC1 ZINC001295853887 1063881413 /nfs/dbraw/zinc/88/14/13/1063881413.db2.gz BLJDGPWZTRFYOD-UHFFFAOYSA-N 1 1 463.623 2.896 20 0 JFADMO CC[N@@H+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C ZINC001295854125 1063882151 /nfs/dbraw/zinc/88/21/51/1063882151.db2.gz VMCJZEBKYPQAOM-LJQANCHMSA-N 1 1 491.681 2.790 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)C(C)C ZINC001295854914 1063883860 /nfs/dbraw/zinc/88/38/60/1063883860.db2.gz MUGGCKZEMRMKIE-UHFFFAOYSA-N 1 1 494.619 2.559 20 0 JFADMO CCN(CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063884022 /nfs/dbraw/zinc/88/40/22/1063884022.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 1 1 488.599 2.746 20 0 JFADMO CCN(CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063884035 /nfs/dbraw/zinc/88/40/35/1063884035.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 1 1 488.599 2.746 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001295854987 1063884202 /nfs/dbraw/zinc/88/42/02/1063884202.db2.gz BJPPUNSTNXAIMA-ZCNNSNEGSA-N 1 1 480.654 2.930 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295860560 1063891979 /nfs/dbraw/zinc/89/19/79/1063891979.db2.gz DUXMCAVNSWYIMN-LJQANCHMSA-N 1 1 473.569 2.610 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)C1CC1 ZINC001295860857 1063892484 /nfs/dbraw/zinc/89/24/84/1063892484.db2.gz NJBULQHFQCRSTI-UHFFFAOYSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C)CCC(F)(F)F ZINC001295861080 1063892965 /nfs/dbraw/zinc/89/29/65/1063892965.db2.gz SBESKOZKECFFQE-AWEZNQCLSA-N 1 1 473.569 2.575 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291370166 1063895414 /nfs/dbraw/zinc/89/54/14/1063895414.db2.gz UJDXHDRTJZRGHK-VWLOTQADSA-N 1 1 455.651 2.804 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C ZINC001295865775 1063899059 /nfs/dbraw/zinc/89/90/59/1063899059.db2.gz PGAXSNOZPCUYJS-OAQYLSRUSA-N 1 1 469.634 2.760 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295866857 1063901402 /nfs/dbraw/zinc/90/14/02/1063901402.db2.gz NATURNUGFMJAMV-IBGZPJMESA-N 1 1 486.583 2.928 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1)C(C)C ZINC001295867755 1063903427 /nfs/dbraw/zinc/90/34/27/1063903427.db2.gz YEAINLPPWBXNAB-UHFFFAOYSA-N 1 1 458.655 2.754 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C ZINC001295868280 1063904642 /nfs/dbraw/zinc/90/46/42/1063904642.db2.gz HXSZDPWBCGWZDY-IBGZPJMESA-N 1 1 474.606 2.873 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C ZINC001295869514 1063906924 /nfs/dbraw/zinc/90/69/24/1063906924.db2.gz PKMNKVUELXZVFK-OALUTQOASA-N 1 1 477.654 2.747 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)C1CC1 ZINC001295870273 1063907936 /nfs/dbraw/zinc/90/79/36/1063907936.db2.gz XGWOVLYYIIUZNF-KSEOMHKRSA-N 1 1 460.667 2.986 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1)C(C)C ZINC001295870300 1063907979 /nfs/dbraw/zinc/90/79/79/1063907979.db2.gz XVKBGYSTOXTCRN-JOCHJYFZSA-N 1 1 488.608 2.727 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCC[N@H+]1CC ZINC001295876440 1063915181 /nfs/dbraw/zinc/91/51/81/1063915181.db2.gz CFFHRPAWCYHSCT-LJQANCHMSA-N 1 1 456.616 2.849 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCC[N@H+]1CC ZINC001295876439 1063915343 /nfs/dbraw/zinc/91/53/43/1063915343.db2.gz CFFHRPAWCYHSCT-IBGZPJMESA-N 1 1 456.616 2.849 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001295878355 1063920576 /nfs/dbraw/zinc/92/05/76/1063920576.db2.gz RYODUOHQFQEFCH-UHFFFAOYSA-N 1 1 469.571 2.655 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880419 1063924776 /nfs/dbraw/zinc/92/47/76/1063924776.db2.gz BOLHYNIOYXSXCU-WOJBJXKFSA-N 1 1 455.669 2.759 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291385782 1063931179 /nfs/dbraw/zinc/93/11/79/1063931179.db2.gz PVDNYRNJQKIZLZ-HOIFWPIMSA-N 1 1 495.466 2.991 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001295885162 1063931734 /nfs/dbraw/zinc/93/17/34/1063931734.db2.gz FEJQQGGWLMFOHU-UHFFFAOYSA-N 1 1 487.674 2.510 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001295885162 1063931742 /nfs/dbraw/zinc/93/17/42/1063931742.db2.gz FEJQQGGWLMFOHU-UHFFFAOYSA-N 1 1 487.674 2.510 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001295890416 1063941331 /nfs/dbraw/zinc/94/13/31/1063941331.db2.gz NNSKCPQYUZYGFH-NHCUHLMSSA-N 1 1 497.644 2.848 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H](C)C3)CCN2C1=O ZINC001295891704 1063943547 /nfs/dbraw/zinc/94/35/47/1063943547.db2.gz CMGOXVGRLBOZBA-VQTJNVASSA-N 1 1 473.666 2.852 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H](C)C3)CCN2C1=O ZINC001295891703 1063943629 /nfs/dbraw/zinc/94/36/29/1063943629.db2.gz CMGOXVGRLBOZBA-UXHICEINSA-N 1 1 473.666 2.852 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001291393563 1063946289 /nfs/dbraw/zinc/94/62/89/1063946289.db2.gz MFITUMCDSZWAFC-CLOONOSVSA-N 1 1 465.602 2.863 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291399126 1063958339 /nfs/dbraw/zinc/95/83/39/1063958339.db2.gz HGYFNEKELWVMPX-YMSRPXOMSA-N 1 1 471.646 2.976 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC001295908878 1063962575 /nfs/dbraw/zinc/96/25/75/1063962575.db2.gz BVGDGXVJQRKTPN-NRFANRHFSA-N 1 1 474.407 2.627 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC001295908879 1063962680 /nfs/dbraw/zinc/96/26/80/1063962680.db2.gz BVGDGXVJQRKTPN-OAQYLSRUSA-N 1 1 474.407 2.627 20 0 JFADMO CCn1cc(CN(C)c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC001295911933 1063964548 /nfs/dbraw/zinc/96/45/48/1063964548.db2.gz BYMRKYCRMATQKT-HSZRJFAPSA-N 1 1 451.619 2.944 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291402658 1063965839 /nfs/dbraw/zinc/96/58/39/1063965839.db2.gz ALHPIEVNFGSSMX-BPYKYCOYSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291402658 1063965848 /nfs/dbraw/zinc/96/58/48/1063965848.db2.gz ALHPIEVNFGSSMX-BPYKYCOYSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291402545 1063966027 /nfs/dbraw/zinc/96/60/27/1063966027.db2.gz ZKPAGVYWCUCWAE-BYXVTNLJSA-N 1 1 471.646 2.998 20 0 JFADMO CCn1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC001295915481 1063968548 /nfs/dbraw/zinc/96/85/48/1063968548.db2.gz OHZGYMBVPWPBPP-QFIPXVFZSA-N 1 1 464.618 2.971 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001291411743 1063987360 /nfs/dbraw/zinc/98/73/60/1063987360.db2.gz OISVCRNWPRMFAC-JYLXEMOASA-N 1 1 467.622 2.901 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291414594 1063991312 /nfs/dbraw/zinc/99/13/12/1063991312.db2.gz ZTUCGUFRAPHLLS-KZTDQWPFSA-N 1 1 485.677 2.724 20 0 JFADMO CCn1cccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1=O ZINC001295939365 1063992265 /nfs/dbraw/zinc/99/22/65/1063992265.db2.gz RAVJUFJWKZMKFF-GOSISDBHSA-N 1 1 471.005 2.985 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291418610 1063997896 /nfs/dbraw/zinc/99/78/96/1063997896.db2.gz ZXEZVJPVGYNZEO-LBVMUVSTSA-N 1 1 460.667 2.986 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420483 1064001363 /nfs/dbraw/zinc/00/13/63/1064001363.db2.gz XXKGNWKLUKQHSH-FDFHNCONSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420483 1064001365 /nfs/dbraw/zinc/00/13/65/1064001365.db2.gz XXKGNWKLUKQHSH-FDFHNCONSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420484 1064001450 /nfs/dbraw/zinc/00/14/50/1064001450.db2.gz XXKGNWKLUKQHSH-FKBYEOEOSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420484 1064001457 /nfs/dbraw/zinc/00/14/57/1064001457.db2.gz XXKGNWKLUKQHSH-FKBYEOEOSA-N 1 1 476.666 2.715 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@H]1C ZINC001295975401 1064018726 /nfs/dbraw/zinc/01/87/26/1064018726.db2.gz CULRYWZELKMLSI-RTBURBONSA-N 1 1 453.591 2.917 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451369 1064020594 /nfs/dbraw/zinc/02/05/94/1064020594.db2.gz CITZBHDMCPHEOF-IFMALSPDSA-N 1 1 489.686 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001291455777 1064021739 /nfs/dbraw/zinc/02/17/39/1064021739.db2.gz DHCYZQIOPBKMGN-GBXCKJPGSA-N 1 1 480.723 2.547 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001291455777 1064021742 /nfs/dbraw/zinc/02/17/42/1064021742.db2.gz DHCYZQIOPBKMGN-GBXCKJPGSA-N 1 1 480.723 2.547 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1C ZINC001295977505 1064023926 /nfs/dbraw/zinc/02/39/26/1064023926.db2.gz LGUMVHGXRBPWIX-RBUKOAKNSA-N 1 1 454.619 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064024981 /nfs/dbraw/zinc/02/49/81/1064024981.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 1 1 480.455 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025067 /nfs/dbraw/zinc/02/50/67/1064025067.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 1 1 480.455 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC001295977940 1064025165 /nfs/dbraw/zinc/02/51/65/1064025165.db2.gz MCNSIEKQXGGFFZ-HOTGVXAUSA-N 1 1 477.009 2.808 20 0 JFADMO CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978346 1064025414 /nfs/dbraw/zinc/02/54/14/1064025414.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 1 1 474.675 2.752 20 0 JFADMO CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978346 1064025419 /nfs/dbraw/zinc/02/54/19/1064025419.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 1 1 474.675 2.752 20 0 JFADMO CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978349 1064025655 /nfs/dbraw/zinc/02/56/55/1064025655.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 1 1 474.675 2.752 20 0 JFADMO CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978349 1064025663 /nfs/dbraw/zinc/02/56/63/1064025663.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026406 /nfs/dbraw/zinc/02/64/06/1064026406.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026411 /nfs/dbraw/zinc/02/64/11/1064026411.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026620 /nfs/dbraw/zinc/02/66/20/1064026620.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026624 /nfs/dbraw/zinc/02/66/24/1064026624.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 1 1 474.675 2.752 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@H]1C ZINC001295978828 1064026959 /nfs/dbraw/zinc/02/69/59/1064026959.db2.gz TVPRRBAXDFDIOY-QZTJIDSGSA-N 1 1 460.648 2.914 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)C[C@@H]1C ZINC001295979646 1064028021 /nfs/dbraw/zinc/02/80/21/1064028021.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)C[C@@H]1C ZINC001295979646 1064028027 /nfs/dbraw/zinc/02/80/27/1064028027.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001295980098 1064029150 /nfs/dbraw/zinc/02/91/50/1064029150.db2.gz QJLPJMLWTJKYNH-VQTJNVASSA-N 1 1 485.633 2.678 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNC(=O)c1ccc(C)cc1 ZINC001291469459 1064029757 /nfs/dbraw/zinc/02/97/57/1064029757.db2.gz ANUAFGDKFLWGIF-IMSXRSKXSA-N 1 1 495.672 2.519 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001291470210 1064030540 /nfs/dbraw/zinc/03/05/40/1064030540.db2.gz NAAOWSPNMZTOPK-HUUJSLGLSA-N 1 1 491.681 2.694 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1COC ZINC001291470284 1064030592 /nfs/dbraw/zinc/03/05/92/1064030592.db2.gz NSAPNTDRDPKFLV-MZLICYQSSA-N 1 1 468.646 2.975 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@@H]1C ZINC001295980435 1064030583 /nfs/dbraw/zinc/03/05/83/1064030583.db2.gz ZAWZZFUQHBEIFT-RBUKOAKNSA-N 1 1 468.627 2.905 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001295980569 1064030633 /nfs/dbraw/zinc/03/06/33/1064030633.db2.gz ZOAWYPSXFFFYQN-QZTJIDSGSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001295980569 1064030645 /nfs/dbraw/zinc/03/06/45/1064030645.db2.gz ZOAWYPSXFFFYQN-QZTJIDSGSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295980680 1064031059 /nfs/dbraw/zinc/03/10/59/1064031059.db2.gz RAEWKSUZZYNQTC-OALUTQOASA-N 1 1 477.654 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001291470831 1064032029 /nfs/dbraw/zinc/03/20/29/1064032029.db2.gz WGBVPOPYNUCTLN-QZNHQXDQSA-N 1 1 487.693 2.573 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001291471049 1064032398 /nfs/dbraw/zinc/03/23/98/1064032398.db2.gz YLUXQXGLBMCJIV-CEWOCBPMSA-N 1 1 459.660 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C[C@H]1C ZINC001295981466 1064032577 /nfs/dbraw/zinc/03/25/77/1064032577.db2.gz VDTXTKZEYBJJDI-FUMNGEBKSA-N 1 1 466.696 2.699 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(OC)c1 ZINC001291471059 1064032971 /nfs/dbraw/zinc/03/29/71/1064032971.db2.gz YPBKQXDQLQTFLL-CNNODRBYSA-N 1 1 484.645 2.846 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Sc2ccccc2)C[C@H]1C ZINC001295982451 1064033701 /nfs/dbraw/zinc/03/37/01/1064033701.db2.gz SYHUPKTZWKTPAA-HCXYKTFWSA-N 1 1 480.704 2.988 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@H]1C ZINC001295983448 1064037945 /nfs/dbraw/zinc/03/79/45/1064037945.db2.gz WEZKMFRZUCDIRN-PBDKAQRYSA-N 1 1 498.672 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291482678 1064038510 /nfs/dbraw/zinc/03/85/10/1064038510.db2.gz UHWIDTAOJWSADX-UNMCSNQZSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001295983321 1064039067 /nfs/dbraw/zinc/03/90/67/1064039067.db2.gz IAIDNTRJHGASEQ-LLGFUMIMSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001295983323 1064039088 /nfs/dbraw/zinc/03/90/88/1064039088.db2.gz IAIDNTRJHGASEQ-WWMYMODYSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001295984127 1064041053 /nfs/dbraw/zinc/04/10/53/1064041053.db2.gz LOBBPFLGIMXOSR-VQTJNVASSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001295984129 1064041164 /nfs/dbraw/zinc/04/11/64/1064041164.db2.gz LOBBPFLGIMXOSR-WOJBJXKFSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@H]1C ZINC001295987172 1064043433 /nfs/dbraw/zinc/04/34/33/1064043433.db2.gz ZAMLHJRDOYPJRI-IAGOWNOFSA-N 1 1 451.999 2.925 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)C[C@H]1C ZINC001295987342 1064043470 /nfs/dbraw/zinc/04/34/70/1064043470.db2.gz ZWIONJSETILBRB-WSTZPKSXSA-N 1 1 459.591 2.687 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001295987169 1064043495 /nfs/dbraw/zinc/04/34/95/1064043495.db2.gz YXAMCTFPTYBICI-ROUUACIJSA-N 1 1 453.591 2.971 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001295992909 1064047831 /nfs/dbraw/zinc/04/78/31/1064047831.db2.gz BKEIWXIGQWKEQT-TUFLPTIASA-N 1 1 492.665 2.727 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@@H]1C ZINC001295993423 1064048896 /nfs/dbraw/zinc/04/88/96/1064048896.db2.gz SBEYGPXWTRTNJP-WFXMLNOXSA-N 1 1 465.577 2.742 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@H]1C ZINC001295993556 1064049221 /nfs/dbraw/zinc/04/92/21/1064049221.db2.gz DBLDQAIIUXXABW-HKBOAZHASA-N 1 1 465.639 2.651 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001291498617 1064050685 /nfs/dbraw/zinc/05/06/85/1064050685.db2.gz TXJMBBYOQTYAOC-GEMQDWRSSA-N 1 1 492.734 2.863 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001295995778 1064051502 /nfs/dbraw/zinc/05/15/02/1064051502.db2.gz JKKFMJSHAIOOOT-RTBURBONSA-N 1 1 456.639 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996166 1064052339 /nfs/dbraw/zinc/05/23/39/1064052339.db2.gz MPDXMUYSAGJQJW-DLBZAZTESA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001295996489 1064052672 /nfs/dbraw/zinc/05/26/72/1064052672.db2.gz LIUBDGWNSNAECO-ZIFCJYIRSA-N 1 1 459.591 2.775 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@H]1C ZINC001295996942 1064053205 /nfs/dbraw/zinc/05/32/05/1064053205.db2.gz NSYVTKFXVRWOEK-QZTJIDSGSA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001295997411 1064053311 /nfs/dbraw/zinc/05/33/11/1064053311.db2.gz QQLOJENOMGGUBS-RVKKMQEKSA-N 1 1 465.524 2.805 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291502747 1064053509 /nfs/dbraw/zinc/05/35/09/1064053509.db2.gz MFNVJFPSGSPVSX-ITTUMRLJSA-N 1 1 496.722 2.541 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@H]1C ZINC001295997506 1064053773 /nfs/dbraw/zinc/05/37/73/1064053773.db2.gz RGECSJGLUIRZSO-HSALFYBXSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC001295998340 1064055806 /nfs/dbraw/zinc/05/58/06/1064055806.db2.gz VIFUPQCFDDSIHY-ZJOUEHCJSA-N 1 1 472.609 2.589 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001295998656 1064055834 /nfs/dbraw/zinc/05/58/34/1064055834.db2.gz XRUFSYRSGKBETI-HSALFYBXSA-N 1 1 491.658 2.574 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998989 1064056181 /nfs/dbraw/zinc/05/61/81/1064056181.db2.gz YHSDKEMYQPLPBA-MSOLQXFVSA-N 1 1 478.592 2.653 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000355 1064057138 /nfs/dbraw/zinc/05/71/38/1064057138.db2.gz CJKQGEBRDYVRMH-MOPGFXCFSA-N 1 1 480.654 2.599 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002076 1064057833 /nfs/dbraw/zinc/05/78/33/1064057833.db2.gz KKXLXDSGDFOQBM-SJORKVTESA-N 1 1 468.005 2.983 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296002734 1064058059 /nfs/dbraw/zinc/05/80/59/1064058059.db2.gz NSDYXNNRXZPDMM-IRFCIJBXSA-N 1 1 495.594 2.836 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003267 1064058246 /nfs/dbraw/zinc/05/82/46/1064058246.db2.gz SKSVJNXYVORHSC-FDFHNCONSA-N 1 1 468.646 2.591 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003208 1064058436 /nfs/dbraw/zinc/05/84/36/1064058436.db2.gz SBEYPDWICQOKDO-ROUUACIJSA-N 1 1 454.550 2.836 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291508021 1064059298 /nfs/dbraw/zinc/05/92/98/1064059298.db2.gz DZLMNPRSKYZMOY-NRFANRHFSA-N 1 1 459.683 2.801 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001291510317 1064061645 /nfs/dbraw/zinc/06/16/45/1064061645.db2.gz SUPNSOKPMVHKLB-CTNGQTDRSA-N 1 1 459.683 2.701 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008825 1064062554 /nfs/dbraw/zinc/06/25/54/1064062554.db2.gz BPOZYDZWJKWIQU-PMACEKPBSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008903 1064063411 /nfs/dbraw/zinc/06/34/11/1064063411.db2.gz BWXFXPIODSSPDG-HUUCEWRRSA-N 1 1 470.952 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009388 1064064407 /nfs/dbraw/zinc/06/44/07/1064064407.db2.gz FURBZMCVJSUZTI-LEWJYISDSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009657 1064065842 /nfs/dbraw/zinc/06/58/42/1064065842.db2.gz IBWHAZZNPDLWJA-NHCUHLMSSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009917 1064067505 /nfs/dbraw/zinc/06/75/05/1064067505.db2.gz JEKZYPCQEDWJEN-SFTDATJTSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010378 1064068587 /nfs/dbraw/zinc/06/85/87/1064068587.db2.gz PUHVGICAJYMMSB-RBUKOAKNSA-N 1 1 454.619 2.517 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001296010710 1064069113 /nfs/dbraw/zinc/06/91/13/1064069113.db2.gz CTHCQUOVWYGQQT-HKBOAZHASA-N 1 1 472.634 2.505 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011243 1064070634 /nfs/dbraw/zinc/07/06/34/1064070634.db2.gz UNQAELYSLMEFDD-AOIWGVFYSA-N 1 1 458.573 2.803 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001296011884 1064072102 /nfs/dbraw/zinc/07/21/02/1064072102.db2.gz XGRMLDOKCAIRNO-IBGGVINMSA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001296011884 1064072112 /nfs/dbraw/zinc/07/21/12/1064072112.db2.gz XGRMLDOKCAIRNO-IBGGVINMSA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001296011887 1064072184 /nfs/dbraw/zinc/07/21/84/1064072184.db2.gz XGRMLDOKCAIRNO-NYULUDCUSA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001296011887 1064072197 /nfs/dbraw/zinc/07/21/97/1064072197.db2.gz XGRMLDOKCAIRNO-NYULUDCUSA-N 1 1 497.732 2.969 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291522062 1064073887 /nfs/dbraw/zinc/07/38/87/1064073887.db2.gz YBUONBCNZWGPFE-SFTDATJTSA-N 1 1 459.683 2.514 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@H]1C ZINC001296016989 1064078291 /nfs/dbraw/zinc/07/82/91/1064078291.db2.gz WNLYRBDTIFYIID-MSOLQXFVSA-N 1 1 470.574 2.967 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001291539151 1064080868 /nfs/dbraw/zinc/08/08/68/1064080868.db2.gz ADVZSWIRAPHNAX-QUCCMNQESA-N 1 1 463.652 2.781 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291542346 1064085436 /nfs/dbraw/zinc/08/54/36/1064085436.db2.gz PWOXPZMTSWRBPY-IPJJNNNSSA-N 1 1 457.671 2.867 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031093 1064089079 /nfs/dbraw/zinc/08/90/79/1064089079.db2.gz PUEMMBIBGSCABA-IRLDBZIGSA-N 1 1 453.635 2.863 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001296031636 1064089748 /nfs/dbraw/zinc/08/97/48/1064089748.db2.gz YPBCINUPBRWXGK-LJQANCHMSA-N 1 1 489.665 2.692 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001296032691 1064090102 /nfs/dbraw/zinc/09/01/02/1064090102.db2.gz BQOGSDNHLXDDET-RZUBCFFCSA-N 1 1 470.618 2.729 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001296033318 1064091759 /nfs/dbraw/zinc/09/17/59/1064091759.db2.gz KXQIMECKLDCKJG-GJZGRUSLSA-N 1 1 475.084 2.972 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001296033317 1064091840 /nfs/dbraw/zinc/09/18/40/1064091840.db2.gz KXQIMECKLDCKJG-CABCVRRESA-N 1 1 475.084 2.972 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034588 1064093106 /nfs/dbraw/zinc/09/31/06/1064093106.db2.gz VWUPJKSPNFLFAH-WBVHZDCISA-N 1 1 488.580 2.885 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001296035004 1064093848 /nfs/dbraw/zinc/09/38/48/1064093848.db2.gz ACBJPNBXXSHOKR-LSDHHAIUSA-N 1 1 479.398 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296035848 1064095076 /nfs/dbraw/zinc/09/50/76/1064095076.db2.gz GFKHHQRJIWZEPZ-FUHWJXTLSA-N 1 1 496.475 2.981 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296036077 1064095401 /nfs/dbraw/zinc/09/54/01/1064095401.db2.gz HASUNPBRNKHMGF-CVEARBPZSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001296036211 1064095819 /nfs/dbraw/zinc/09/58/19/1064095819.db2.gz HKLULFMDWGZWPN-KRWDZBQOSA-N 1 1 461.408 2.718 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296036850 1064096833 /nfs/dbraw/zinc/09/68/33/1064096833.db2.gz MWXLZJDNYQOIGC-WOJBJXKFSA-N 1 1 470.618 2.657 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296036848 1064096968 /nfs/dbraw/zinc/09/69/68/1064096968.db2.gz MWXLZJDNYQOIGC-UXHICEINSA-N 1 1 470.618 2.657 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001291571186 1064097684 /nfs/dbraw/zinc/09/76/84/1064097684.db2.gz RBYXRJJVNVTQCU-HXUWFJFHSA-N 1 1 462.664 2.832 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001291571063 1064097691 /nfs/dbraw/zinc/09/76/91/1064097691.db2.gz YOTUTNGPQKRNND-QGZVFWFLSA-N 1 1 464.565 2.566 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001291571063 1064097694 /nfs/dbraw/zinc/09/76/94/1064097694.db2.gz YOTUTNGPQKRNND-QGZVFWFLSA-N 1 1 464.565 2.566 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001296037876 1064097844 /nfs/dbraw/zinc/09/78/44/1064097844.db2.gz MOQHPIBYJWNETH-IAGOWNOFSA-N 1 1 462.545 2.980 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291571721 1064098329 /nfs/dbraw/zinc/09/83/29/1064098329.db2.gz WMTDUWYRLRDFNO-OAQYLSRUSA-N 1 1 454.619 2.753 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037915 1064098310 /nfs/dbraw/zinc/09/83/10/1064098310.db2.gz MUZVXEHWWKAIDW-SFHVURJKSA-N 1 1 491.658 2.708 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 ZINC001296039721 1064099348 /nfs/dbraw/zinc/09/93/48/1064099348.db2.gz SRZDGSBJAVTEIN-ROUUACIJSA-N 1 1 472.590 2.581 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CN[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC001291575712 1064099391 /nfs/dbraw/zinc/09/93/91/1064099391.db2.gz ABTUQHKMGFBZFR-LJQANCHMSA-N 1 1 458.525 2.939 20 0 JFADMO CC(=O)Nc1ccccc1C(F)(F)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001291576568 1064099873 /nfs/dbraw/zinc/09/98/73/1064099873.db2.gz LHVACDVNHIBRAI-UHFFFAOYSA-N 1 1 454.518 2.796 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296041233 1064101344 /nfs/dbraw/zinc/10/13/44/1064101344.db2.gz YYXRAUSMACCUCN-IBGZPJMESA-N 1 1 470.618 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001296042218 1064101897 /nfs/dbraw/zinc/10/18/97/1064101897.db2.gz ITDJEYLYFTUXTB-QGZVFWFLSA-N 1 1 465.524 2.577 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001296043789 1064102722 /nfs/dbraw/zinc/10/27/22/1064102722.db2.gz ADLXQRZDJPOONY-AEFFLSMTSA-N 1 1 452.024 2.812 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001291578247 1064103137 /nfs/dbraw/zinc/10/31/37/1064103137.db2.gz CSZSCMPPGHHTNH-ADSMNUKGSA-N 1 1 472.634 2.652 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001291578580 1064104173 /nfs/dbraw/zinc/10/41/73/1064104173.db2.gz FHJROYUTDQCGJS-LNLFQRSKSA-N 1 1 475.663 2.747 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)C1 ZINC001296046442 1064106525 /nfs/dbraw/zinc/10/65/25/1064106525.db2.gz OPKVMERVHPODSB-LJQANCHMSA-N 1 1 495.093 2.772 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(NS(=O)(=O)CC)CC2)C1 ZINC001296046441 1064106565 /nfs/dbraw/zinc/10/65/65/1064106565.db2.gz OPKVMERVHPODSB-IBGZPJMESA-N 1 1 495.093 2.772 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001296049565 1064109602 /nfs/dbraw/zinc/10/96/02/1064109602.db2.gz JTNUHIDQCJWSEW-TZIWHRDSSA-N 1 1 453.635 2.737 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001296050297 1064110059 /nfs/dbraw/zinc/11/00/59/1064110059.db2.gz PSLHKCLQYQGZTM-KRWDZBQOSA-N 1 1 469.531 2.628 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001296050460 1064110078 /nfs/dbraw/zinc/11/00/78/1064110078.db2.gz RLTSXFDIUKNUOF-LEWJYISDSA-N 1 1 469.634 2.957 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296050962 1064110927 /nfs/dbraw/zinc/11/09/27/1064110927.db2.gz WGFMBCIRBRNMFH-XZOQPEGZSA-N 1 1 468.646 2.766 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001296051723 1064112078 /nfs/dbraw/zinc/11/20/78/1064112078.db2.gz JSCRMAXXZZVHTM-AZUAARDMSA-N 1 1 493.077 2.907 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296051689 1064112086 /nfs/dbraw/zinc/11/20/86/1064112086.db2.gz JBGBZZIVJZIHDC-IBGZPJMESA-N 1 1 458.582 2.643 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291582041 1064112851 /nfs/dbraw/zinc/11/28/51/1064112851.db2.gz SHESQSPHUDEUGI-IRLDBZIGSA-N 1 1 460.667 2.867 20 0 JFADMO CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296052339 1064113873 /nfs/dbraw/zinc/11/38/73/1064113873.db2.gz QMBCIXJXCQTWBL-LEWJYISDSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296054804 1064115758 /nfs/dbraw/zinc/11/57/58/1064115758.db2.gz CTVPLJWCRDUKBZ-OAQYLSRUSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001296056744 1064117605 /nfs/dbraw/zinc/11/76/05/1064117605.db2.gz NQNAEAJISLJVPP-CIIPOXIHSA-N 1 1 475.659 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001296056746 1064118179 /nfs/dbraw/zinc/11/81/79/1064118179.db2.gz NQNAEAJISLJVPP-ZIQAXNKYSA-N 1 1 475.659 2.718 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001296057237 1064119113 /nfs/dbraw/zinc/11/91/13/1064119113.db2.gz UIOQVJCXTHXMEI-QYZOEREBSA-N 1 1 476.622 2.691 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCn1cc[nH+]c1C ZINC001291589322 1064121122 /nfs/dbraw/zinc/12/11/22/1064121122.db2.gz GKFGQXXNYMVMOT-SFHVURJKSA-N 1 1 469.565 2.863 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001296059683 1064123068 /nfs/dbraw/zinc/12/30/68/1064123068.db2.gz INIGGLABZXVYIK-HKUYNNGSSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296059897 1064123395 /nfs/dbraw/zinc/12/33/95/1064123395.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296059897 1064123403 /nfs/dbraw/zinc/12/34/03/1064123403.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001296060220 1064124805 /nfs/dbraw/zinc/12/48/05/1064124805.db2.gz OVEGHDSKRIBDFA-OAHLLOKOSA-N 1 1 465.940 2.971 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001296060447 1064125287 /nfs/dbraw/zinc/12/52/87/1064125287.db2.gz BEDJWJGDRAKITP-RBUKOAKNSA-N 1 1 479.622 2.599 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)CC1 ZINC001296060542 1064125773 /nfs/dbraw/zinc/12/57/73/1064125773.db2.gz QUODZZJIPAVGLO-GOSISDBHSA-N 1 1 482.601 2.915 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001296060853 1064126243 /nfs/dbraw/zinc/12/62/43/1064126243.db2.gz SKABZBIXBHKCCC-HKUYNNGSSA-N 1 1 472.590 2.724 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCn1cc[nH+]c1C ZINC001291591252 1064126848 /nfs/dbraw/zinc/12/68/48/1064126848.db2.gz DKFMVTIIUIHFOY-KNQAVFIVSA-N 1 1 464.618 2.735 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC1CC1)C1CCCCC1 ZINC001296061832 1064127683 /nfs/dbraw/zinc/12/76/83/1064127683.db2.gz RDCVVHAQUGVTTJ-PXNSSMCTSA-N 1 1 452.669 2.922 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001296062440 1064128262 /nfs/dbraw/zinc/12/82/62/1064128262.db2.gz PEZDJTUPFGLANE-LJQANCHMSA-N 1 1 470.622 2.961 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC001296063599 1064130079 /nfs/dbraw/zinc/13/00/79/1064130079.db2.gz XBIDEELBOVXMBT-RBUKOAKNSA-N 1 1 460.627 2.689 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291594444 1064130452 /nfs/dbraw/zinc/13/04/52/1064130452.db2.gz HWYACNKZCVIZDZ-VXKWHMMOSA-N 1 1 497.688 2.848 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291594431 1064130473 /nfs/dbraw/zinc/13/04/73/1064130473.db2.gz HWYACNKZCVIZDZ-FCHUYYIVSA-N 1 1 497.688 2.848 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296063833 1064130407 /nfs/dbraw/zinc/13/04/07/1064130407.db2.gz ZZBNCBALRSMAGP-SFHVURJKSA-N 1 1 481.066 2.943 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296064182 1064130791 /nfs/dbraw/zinc/13/07/91/1064130791.db2.gz ZTTBMOPLYCOWHH-SLFFLAALSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296063877 1064130803 /nfs/dbraw/zinc/13/08/03/1064130803.db2.gz YBXQMFZEGYDGAO-ZWKOTPCHSA-N 1 1 462.561 2.561 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 ZINC001296066401 1064131678 /nfs/dbraw/zinc/13/16/78/1064131678.db2.gz CSTYEGJOFYADCH-XUVXKRRUSA-N 1 1 478.638 2.544 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001296067898 1064133404 /nfs/dbraw/zinc/13/34/04/1064133404.db2.gz LHGLZFAROCGMAY-SJLPKXTDSA-N 1 1 453.559 2.579 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCCCO ZINC001296067960 1064133417 /nfs/dbraw/zinc/13/34/17/1064133417.db2.gz LYXIIRMWSTYVDK-PMACEKPBSA-N 1 1 480.654 2.670 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccccc1C ZINC001296068218 1064133804 /nfs/dbraw/zinc/13/38/04/1064133804.db2.gz NAGIYEDNMOHGQZ-NHCUHLMSSA-N 1 1 475.659 2.878 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001296068408 1064134410 /nfs/dbraw/zinc/13/44/10/1064134410.db2.gz ORFZDEVAUHTLTK-SJBKTWHCSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001296068398 1064134442 /nfs/dbraw/zinc/13/44/42/1064134442.db2.gz OKONSDNHLJFJAL-SJORKVTESA-N 1 1 463.570 2.833 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001296068396 1064134457 /nfs/dbraw/zinc/13/44/57/1064134457.db2.gz OKONSDNHLJFJAL-IAGOWNOFSA-N 1 1 463.570 2.833 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001296068621 1064134860 /nfs/dbraw/zinc/13/48/60/1064134860.db2.gz QIQBZHVPOUSPAP-AQNXPRMDSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001296068842 1064135121 /nfs/dbraw/zinc/13/51/21/1064135121.db2.gz SKPRIXGFXPMNRY-OTWHNJEPSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1 ZINC001296069820 1064135181 /nfs/dbraw/zinc/13/51/81/1064135181.db2.gz XXOWXIFKGJRJHQ-HUUCEWRRSA-N 1 1 486.436 2.656 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001296072282 1064136079 /nfs/dbraw/zinc/13/60/79/1064136079.db2.gz BNVPNNPEAOSDNU-HXUWFJFHSA-N 1 1 489.665 2.626 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001296072760 1064137114 /nfs/dbraw/zinc/13/71/14/1064137114.db2.gz OZCFPWOJWYMUEJ-QHCPKHFHSA-N 1 1 481.689 2.789 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001296072849 1064137599 /nfs/dbraw/zinc/13/75/99/1064137599.db2.gz FXVWTPLMFLIOJU-MOPGFXCFSA-N 1 1 468.572 2.697 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001296072833 1064137635 /nfs/dbraw/zinc/13/76/35/1064137635.db2.gz FTVODBVVCMXFGP-MSOLQXFVSA-N 1 1 468.023 2.618 20 0 JFADMO CCn1cc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CC)cn1 ZINC001296072948 1064138029 /nfs/dbraw/zinc/13/80/29/1064138029.db2.gz GTUXTOMYTCDQGS-SFHVURJKSA-N 1 1 456.620 2.607 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296073532 1064138589 /nfs/dbraw/zinc/13/85/89/1064138589.db2.gz RMCDFMDJUFEHBE-VQTJNVASSA-N 1 1 455.607 2.852 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296073344 1064138594 /nfs/dbraw/zinc/13/85/94/1064138594.db2.gz CYZLJMRSWCZEFS-QGZVFWFLSA-N 1 1 482.555 2.777 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(=O)(=O)CC ZINC001296073449 1064138604 /nfs/dbraw/zinc/13/86/04/1064138604.db2.gz FDTHWDOZWJOMGF-GUDVDZBRSA-N 1 1 455.669 2.552 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296073636 1064138962 /nfs/dbraw/zinc/13/89/62/1064138962.db2.gz GDARXRMUXGDIPS-OFVILXPXSA-N 1 1 470.618 2.538 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296073653 1064139490 /nfs/dbraw/zinc/13/94/90/1064139490.db2.gz GGWXRQFRSCIKGD-BQJUDKOJSA-N 1 1 492.665 2.980 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1CCOCC1 ZINC001296074446 1064140507 /nfs/dbraw/zinc/14/05/07/1064140507.db2.gz NZAYDYUYBMXINS-JOCHJYFZSA-N 1 1 456.635 2.727 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C ZINC001296074784 1064141467 /nfs/dbraw/zinc/14/14/67/1064141467.db2.gz MKHNNTUFYLGUQY-LZBANZJXSA-N 1 1 473.710 2.877 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001296074769 1064141518 /nfs/dbraw/zinc/14/15/18/1064141518.db2.gz XPDBKKDGDNXLCG-VXKWHMMOSA-N 1 1 473.710 2.874 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296075710 1064143406 /nfs/dbraw/zinc/14/34/06/1064143406.db2.gz QLEVWUYIKMYERI-UXHICEINSA-N 1 1 473.666 2.520 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296075712 1064143465 /nfs/dbraw/zinc/14/34/65/1064143465.db2.gz QLEVWUYIKMYERI-WOJBJXKFSA-N 1 1 473.666 2.520 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001296075876 1064143957 /nfs/dbraw/zinc/14/39/57/1064143957.db2.gz XWWXDAZLALNKRT-HXUWFJFHSA-N 1 1 456.591 2.847 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296076456 1064145021 /nfs/dbraw/zinc/14/50/21/1064145021.db2.gz XAKGJCWRWVGYBA-CGXNFDGLSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001296076664 1064145445 /nfs/dbraw/zinc/14/54/45/1064145445.db2.gz YWAZVDSNZHLRRB-ILOCAZANSA-N 1 1 461.529 2.642 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296080443 1064147492 /nfs/dbraw/zinc/14/74/92/1064147492.db2.gz LKFNRHPUJRIMBK-QFIPXVFZSA-N 1 1 453.635 2.838 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296080910 1064148251 /nfs/dbraw/zinc/14/82/51/1064148251.db2.gz OFIVXMUDWUKTTD-PZJWPPBQSA-N 1 1 467.618 2.689 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296081002 1064148284 /nfs/dbraw/zinc/14/82/84/1064148284.db2.gz OXNXPZXDBSPREQ-INIZCTEOSA-N 1 1 481.523 2.693 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296081455 1064149257 /nfs/dbraw/zinc/14/92/57/1064149257.db2.gz UQIJGGZKHLPBOT-IBGZPJMESA-N 1 1 492.571 2.716 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296081451 1064149268 /nfs/dbraw/zinc/14/92/68/1064149268.db2.gz UJCQDKJPJBNQPA-HTAPYJJXSA-N 1 1 492.466 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296082758 1064150325 /nfs/dbraw/zinc/15/03/25/1064150325.db2.gz AIBIIIFYEMFEOV-SFHVURJKSA-N 1 1 461.010 2.768 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291613499 1064150909 /nfs/dbraw/zinc/15/09/09/1064150909.db2.gz FXAOHKRWPHQXLK-SIKLNZKXSA-N 1 1 470.666 2.762 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296083608 1064151305 /nfs/dbraw/zinc/15/13/05/1064151305.db2.gz GPFKRTYMEMWZHL-QGZVFWFLSA-N 1 1 452.529 2.684 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296084698 1064151825 /nfs/dbraw/zinc/15/18/25/1064151825.db2.gz NYDLYVLBOQTYFU-LEWJYISDSA-N 1 1 474.675 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296084702 1064151843 /nfs/dbraw/zinc/15/18/43/1064151843.db2.gz NYDLYVLBOQTYFU-RTWAWAEBSA-N 1 1 474.675 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084802 1064152271 /nfs/dbraw/zinc/15/22/71/1064152271.db2.gz OVPGFNOZNHDZCM-VQTJNVASSA-N 1 1 489.665 2.939 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296084739 1064152313 /nfs/dbraw/zinc/15/23/13/1064152313.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296084739 1064152316 /nfs/dbraw/zinc/15/23/16/1064152316.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085213 1064153254 /nfs/dbraw/zinc/15/32/54/1064153254.db2.gz CYEFFLWUJYQEAY-RTBURBONSA-N 1 1 456.591 2.627 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084962 1064153355 /nfs/dbraw/zinc/15/33/55/1064153355.db2.gz BLIPIALLZVIYSH-UXHICEINSA-N 1 1 489.665 2.545 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001296086546 1064155031 /nfs/dbraw/zinc/15/50/31/1064155031.db2.gz ZFNLAOLMRPAAHX-WMZOPIPTSA-N 1 1 454.545 2.626 20 0 JFADMO CC[NH+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296086885 1064155105 /nfs/dbraw/zinc/15/51/05/1064155105.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[NH+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296086885 1064155109 /nfs/dbraw/zinc/15/51/09/1064155109.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296086885 1064155117 /nfs/dbraw/zinc/15/51/17/1064155117.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296086885 1064155123 /nfs/dbraw/zinc/15/51/23/1064155123.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296089346 1064160601 /nfs/dbraw/zinc/16/06/01/1064160601.db2.gz OPPYJOYLOBMHCM-OAQYLSRUSA-N 1 1 490.674 2.736 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621868 1064162372 /nfs/dbraw/zinc/16/23/72/1064162372.db2.gz PZDKPSHMYYMIIN-OALUTQOASA-N 1 1 454.619 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296091781 1064163037 /nfs/dbraw/zinc/16/30/37/1064163037.db2.gz BVGNLCYEDIGNMG-RTWAWAEBSA-N 1 1 454.619 2.648 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001291625016 1064164609 /nfs/dbraw/zinc/16/46/09/1064164609.db2.gz CYVZZKCKESQARA-OAQYLSRUSA-N 1 1 497.688 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296092683 1064165032 /nfs/dbraw/zinc/16/50/32/1064165032.db2.gz JPMQSLUTFJIHHC-PZJWPPBQSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001296093758 1064166039 /nfs/dbraw/zinc/16/60/39/1064166039.db2.gz RAMVZOPUCZDNJI-QHCPKHFHSA-N 1 1 455.651 2.685 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626806 1064167756 /nfs/dbraw/zinc/16/77/56/1064167756.db2.gz AJCPDMNAAAIFNJ-UPVQGACJSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626806 1064167762 /nfs/dbraw/zinc/16/77/62/1064167762.db2.gz AJCPDMNAAAIFNJ-UPVQGACJSA-N 1 1 483.705 2.673 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095392 1064168560 /nfs/dbraw/zinc/16/85/60/1064168560.db2.gz ITYDJXXUBMGUGN-RXVVDRJESA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296095999 1064169224 /nfs/dbraw/zinc/16/92/24/1064169224.db2.gz KYASJDVZELECHH-FQEVSTJZSA-N 1 1 470.618 2.511 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296096025 1064169257 /nfs/dbraw/zinc/16/92/57/1064169257.db2.gz KYXACOWEQIGYFY-CYFREDJKSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001291637706 1064184633 /nfs/dbraw/zinc/18/46/33/1064184633.db2.gz JNRSOPASEJRKAR-WOJBJXKFSA-N 1 1 454.619 2.784 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001291638488 1064185705 /nfs/dbraw/zinc/18/57/05/1064185705.db2.gz IJKZDUZDUZSYLL-SIKLNZKXSA-N 1 1 475.659 2.686 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291638443 1064185723 /nfs/dbraw/zinc/18/57/23/1064185723.db2.gz MWTKQZLPGAFUNV-GHTZIAJQSA-N 1 1 461.680 2.726 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)C(C)C ZINC001291639054 1064186971 /nfs/dbraw/zinc/18/69/71/1064186971.db2.gz LFXHMJMKPFFHBJ-FKBYEOEOSA-N 1 1 450.672 2.694 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001291640268 1064189533 /nfs/dbraw/zinc/18/95/33/1064189533.db2.gz QVFANMJFNDOIGH-GSPCLOLRSA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291643440 1064194609 /nfs/dbraw/zinc/19/46/09/1064194609.db2.gz PDVMRWKMZDGSGB-GBESFXJTSA-N 1 1 476.588 2.602 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291644988 1064200569 /nfs/dbraw/zinc/20/05/69/1064200569.db2.gz XWICYOYGAKPVJQ-IBGZPJMESA-N 1 1 493.678 2.554 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4cccnc4)n3CC(O)(CC)CC)CC2)CC1 ZINC001296118501 1064200609 /nfs/dbraw/zinc/20/06/09/1064200609.db2.gz COYHLSKQHYXEIO-UHFFFAOYSA-N 1 1 497.688 2.586 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3C[C@H](C)OC)CC2)CC1 ZINC001296118617 1064201101 /nfs/dbraw/zinc/20/11/01/1064201101.db2.gz FUWQXNYBZDWXCN-FQEVSTJZSA-N 1 1 454.619 2.751 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)SC)CC2)CC1 ZINC001296118801 1064201818 /nfs/dbraw/zinc/20/18/18/1064201818.db2.gz KJNHILXXOXYLDV-CTNGQTDRSA-N 1 1 478.707 2.694 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)CC)CC2)CC1 ZINC001296118762 1064201949 /nfs/dbraw/zinc/20/19/49/1064201949.db2.gz JVXAMMYRNZTNDX-UHFFFAOYSA-N 1 1 475.682 2.623 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cnn(C)c4)n3CC(C)(C)CC)CC2)CC1 ZINC001296118813 1064202236 /nfs/dbraw/zinc/20/22/36/1064202236.db2.gz KLFHHGKRPGCWJV-UHFFFAOYSA-N 1 1 470.666 2.885 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648105 1064202360 /nfs/dbraw/zinc/20/23/60/1064202360.db2.gz GFXVPSFKLQBCHQ-WBVHZDCISA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648105 1064202367 /nfs/dbraw/zinc/20/23/67/1064202367.db2.gz GFXVPSFKLQBCHQ-WBVHZDCISA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291649902 1064203233 /nfs/dbraw/zinc/20/32/33/1064203233.db2.gz JRJXNWIGUWIMOG-FDFHNCONSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4OC)n3CCC(C)(C)O)CC2)CC1 ZINC001296119018 1064203171 /nfs/dbraw/zinc/20/31/71/1064203171.db2.gz NEBFORVHOFFRLI-UHFFFAOYSA-N 1 1 498.672 2.885 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3CC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119253 1064203931 /nfs/dbraw/zinc/20/39/31/1064203931.db2.gz QGEYOMWQTJDMHD-UHFFFAOYSA-N 1 1 496.704 2.759 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001296119466 1064204821 /nfs/dbraw/zinc/20/48/21/1064204821.db2.gz DTXNRTHMIGPUOK-QHCPKHFHSA-N 1 1 484.645 2.581 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001296119525 1064205217 /nfs/dbraw/zinc/20/52/17/1064205217.db2.gz FTGYYOZUTLZOOT-FQEVSTJZSA-N 1 1 470.618 2.656 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001291652174 1064205472 /nfs/dbraw/zinc/20/54/72/1064205472.db2.gz RIQQOAZCKOQIMZ-FPOVZHCZSA-N 1 1 467.618 2.786 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291654315 1064206719 /nfs/dbraw/zinc/20/67/19/1064206719.db2.gz GTEMDJVSSHFTMN-WIYYLYMNSA-N 1 1 454.619 2.580 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120083 1064207804 /nfs/dbraw/zinc/20/78/04/1064207804.db2.gz DJRZTKJWUAXVKU-PKOBYXMFSA-N 1 1 464.561 2.798 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120133 1064208269 /nfs/dbraw/zinc/20/82/69/1064208269.db2.gz FGNDXUBEDXIDPO-QGZVFWFLSA-N 1 1 464.561 2.834 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120117 1064208356 /nfs/dbraw/zinc/20/83/56/1064208356.db2.gz FDPFJNAHVSPNBC-PMACEKPBSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291665846 1064210367 /nfs/dbraw/zinc/21/03/67/1064210367.db2.gz ADEHVQQZGKQQAL-ZWKOTPCHSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291665846 1064210374 /nfs/dbraw/zinc/21/03/74/1064210374.db2.gz ADEHVQQZGKQQAL-ZWKOTPCHSA-N 1 1 461.611 2.987 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296122565 1064215144 /nfs/dbraw/zinc/21/51/44/1064215144.db2.gz XTMPBYDRNBDXNL-REHUZNOOSA-N 1 1 486.661 2.850 20 0 JFADMO O=C(Cc1ccc(I)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001291678901 1064215909 /nfs/dbraw/zinc/21/59/09/1064215909.db2.gz PHSATRQTLHOTJJ-UHFFFAOYSA-N 1 1 450.320 2.982 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124156 1064216572 /nfs/dbraw/zinc/21/65/72/1064216572.db2.gz FRBGFPTUDYEOBB-KRWDZBQOSA-N 1 1 492.043 2.726 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291682312 1064216747 /nfs/dbraw/zinc/21/67/47/1064216747.db2.gz LFCVUTDIUGHELV-HXUWFJFHSA-N 1 1 480.723 2.755 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@H]2C)CC1 ZINC001296124347 1064217087 /nfs/dbraw/zinc/21/70/87/1064217087.db2.gz GXUIYTIBGPDURG-RBUKOAKNSA-N 1 1 474.675 2.930 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125298 1064218637 /nfs/dbraw/zinc/21/86/37/1064218637.db2.gz LUCNMUNAFYDOBO-RBUKOAKNSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125569 1064219195 /nfs/dbraw/zinc/21/91/95/1064219195.db2.gz MUSHGNSEPDCKJD-HKUYNNGSSA-N 1 1 462.042 2.881 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126455 1064220399 /nfs/dbraw/zinc/22/03/99/1064220399.db2.gz QHRWTYSHVMHQPH-OALUTQOASA-N 1 1 467.618 2.536 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127361 1064221640 /nfs/dbraw/zinc/22/16/40/1064221640.db2.gz UXZYBVLBDKKSBI-NFQMXDRXSA-N 1 1 481.689 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128045 1064222071 /nfs/dbraw/zinc/22/20/71/1064222071.db2.gz XJDOERKBFNNASU-NHCUHLMSSA-N 1 1 498.676 2.812 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296130718 1064224107 /nfs/dbraw/zinc/22/41/07/1064224107.db2.gz GGBKBTWZAUOMGN-LJQANCHMSA-N 1 1 491.084 2.994 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131187 1064224976 /nfs/dbraw/zinc/22/49/76/1064224976.db2.gz HZBKQZPBYQEOET-RBUKOAKNSA-N 1 1 488.633 2.602 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131347 1064225040 /nfs/dbraw/zinc/22/50/40/1064225040.db2.gz JKDXLXBANAYMBN-MSOLQXFVSA-N 1 1 467.456 2.687 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131352 1064225463 /nfs/dbraw/zinc/22/54/63/1064225463.db2.gz JVHITCFGRUROKN-FQEVSTJZSA-N 1 1 494.688 2.890 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131729 1064226492 /nfs/dbraw/zinc/22/64/92/1064226492.db2.gz LRABRJZOWDRNAV-CVEARBPZSA-N 1 1 487.596 2.920 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131916 1064227483 /nfs/dbraw/zinc/22/74/83/1064227483.db2.gz NAZGQJGAFHXTEQ-VAMGGRTRSA-N 1 1 488.599 2.746 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132221 1064228868 /nfs/dbraw/zinc/22/88/68/1064228868.db2.gz PSAWOOKZAUQXGK-WZONZLPQSA-N 1 1 495.594 2.896 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291723647 1064229440 /nfs/dbraw/zinc/22/94/40/1064229440.db2.gz XVLIXGHIKSYJNM-PCCBWWKXSA-N 1 1 494.681 2.916 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N(C)C[C@@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132584 1064230810 /nfs/dbraw/zinc/23/08/10/1064230810.db2.gz BRRZUPZOBFSKFK-YADHBBJMSA-N 1 1 481.689 2.592 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132788 1064231588 /nfs/dbraw/zinc/23/15/88/1064231588.db2.gz RTODUPXOLJHQKH-OXQOHEQNSA-N 1 1 478.016 2.684 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133548 1064233514 /nfs/dbraw/zinc/23/35/14/1064233514.db2.gz IKDFAHXIQPHKER-KSEOMHKRSA-N 1 1 490.693 2.612 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296133380 1064233568 /nfs/dbraw/zinc/23/35/68/1064233568.db2.gz TXTJQLGFGWDREA-JRFVFWCSSA-N 1 1 470.662 2.676 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133358 1064233630 /nfs/dbraw/zinc/23/36/30/1064233630.db2.gz TVOKQEGBWGJKPR-UXHICEINSA-N 1 1 475.682 2.923 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296134378 1064235650 /nfs/dbraw/zinc/23/56/50/1064235650.db2.gz OJZLZSOAXGWMAM-OALUTQOASA-N 1 1 491.731 2.627 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296134806 1064236735 /nfs/dbraw/zinc/23/67/35/1064236735.db2.gz ZVHJDPSUVJMCOW-QGZVFWFLSA-N 1 1 458.573 2.855 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001291758693 1064238418 /nfs/dbraw/zinc/23/84/18/1064238418.db2.gz BQEZGEBFWXMYDN-HKUYNNGSSA-N 1 1 491.036 2.981 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291759418 1064239266 /nfs/dbraw/zinc/23/92/66/1064239266.db2.gz DYIDNKMNKXETLV-SXWKCWPCSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296135472 1064239594 /nfs/dbraw/zinc/23/95/94/1064239594.db2.gz YYGUDOZQDVQKRL-CDJZJNNCSA-N 1 1 462.683 2.836 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001291759455 1064239693 /nfs/dbraw/zinc/23/96/93/1064239693.db2.gz FRALZYGOYJYRFV-KGLIPLIRSA-N 1 1 454.417 2.584 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 ZINC001291759753 1064240161 /nfs/dbraw/zinc/24/01/61/1064240161.db2.gz HYNTZEUYWYDALS-CQSZACIVSA-N 1 1 468.400 2.654 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759747 1064240503 /nfs/dbraw/zinc/24/05/03/1064240503.db2.gz JXGUBZUPLMHAQO-FHWLQOOXSA-N 1 1 496.653 2.758 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001291760914 1064242169 /nfs/dbraw/zinc/24/21/69/1064242169.db2.gz OQTOEJZBPIMLTH-JPYJTQIMSA-N 1 1 461.632 2.696 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001291762148 1064243254 /nfs/dbraw/zinc/24/32/54/1064243254.db2.gz WJRGDFKZKSFCAY-IBGZPJMESA-N 1 1 482.633 2.637 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001291762150 1064243313 /nfs/dbraw/zinc/24/33/13/1064243313.db2.gz WJRGDFKZKSFCAY-LJQANCHMSA-N 1 1 482.633 2.637 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243685 /nfs/dbraw/zinc/24/36/85/1064243685.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 1 1 455.651 2.857 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243696 /nfs/dbraw/zinc/24/36/96/1064243696.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 1 1 455.651 2.857 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)C[C@@H]1C ZINC001296137862 1064244417 /nfs/dbraw/zinc/24/44/17/1064244417.db2.gz RYJXLNUHHYVQDJ-INIZCTEOSA-N 1 1 468.524 2.936 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 ZINC001291763797 1064244688 /nfs/dbraw/zinc/24/46/88/1064244688.db2.gz XJZCGAAVNZKYHH-INIZCTEOSA-N 1 1 468.444 2.534 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291763862 1064244790 /nfs/dbraw/zinc/24/47/90/1064244790.db2.gz YCGWGDKOQCRLNP-QGZVFWFLSA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291764430 1064245118 /nfs/dbraw/zinc/24/51/18/1064245118.db2.gz CUZIGGQKSPMLMC-SFHVURJKSA-N 1 1 458.607 2.751 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001296140988 1064246525 /nfs/dbraw/zinc/24/65/25/1064246525.db2.gz AYPABOKSOKCSLH-NQIIRXRSSA-N 1 1 476.588 2.733 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001291765879 1064247292 /nfs/dbraw/zinc/24/72/92/1064247292.db2.gz QZAZVPLUGDOZAH-MOPGFXCFSA-N 1 1 462.042 2.882 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001296141882 1064248148 /nfs/dbraw/zinc/24/81/48/1064248148.db2.gz BNCUZHNZMMTVNV-LJQANCHMSA-N 1 1 455.607 2.546 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249600 /nfs/dbraw/zinc/24/96/00/1064249600.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 1 1 470.662 2.979 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249610 /nfs/dbraw/zinc/24/96/10/1064249610.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 1 1 470.662 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)NC)CC1 ZINC001291768255 1064250294 /nfs/dbraw/zinc/25/02/94/1064250294.db2.gz UCJRRRHBXURLQE-SFHVURJKSA-N 1 1 450.591 2.685 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001291768531 1064251248 /nfs/dbraw/zinc/25/12/48/1064251248.db2.gz XGFPEPAYDWFPLQ-QGZVFWFLSA-N 1 1 466.627 2.723 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC001296143412 1064252585 /nfs/dbraw/zinc/25/25/85/1064252585.db2.gz PZMXAPBEEVPJDN-RBUKOAKNSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291771257 1064252991 /nfs/dbraw/zinc/25/29/91/1064252991.db2.gz HJHKFLGKQPPLAO-IBGZPJMESA-N 1 1 454.623 2.694 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001291771266 1064253108 /nfs/dbraw/zinc/25/31/08/1064253108.db2.gz HLYRJKKYTURGIK-NVXWUHKLSA-N 1 1 453.513 2.575 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001291771268 1064253452 /nfs/dbraw/zinc/25/34/52/1064253452.db2.gz HLYRJKKYTURGIK-WBVHZDCISA-N 1 1 453.513 2.575 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771391 1064253772 /nfs/dbraw/zinc/25/37/72/1064253772.db2.gz DNSZFLABLHHVAD-JXFKEZNVSA-N 1 1 461.561 2.564 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291771963 1064254761 /nfs/dbraw/zinc/25/47/61/1064254761.db2.gz MLARBPGRGDDSLW-GOSISDBHSA-N 1 1 466.565 2.567 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)coc2C)C[C@@H]1C ZINC001296144963 1064254871 /nfs/dbraw/zinc/25/48/71/1064254871.db2.gz BPTIKXRDCGZFTG-SFHVURJKSA-N 1 1 486.642 2.984 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001291772015 1064255120 /nfs/dbraw/zinc/25/51/20/1064255120.db2.gz NHNYMVFKPFXJAF-MOPGFXCFSA-N 1 1 458.655 2.786 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296145114 1064255369 /nfs/dbraw/zinc/25/53/69/1064255369.db2.gz DAVBRQWCWYJSBM-OAHLLOKOSA-N 1 1 491.434 2.773 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001296145095 1064255524 /nfs/dbraw/zinc/25/55/24/1064255524.db2.gz CYXDMIMETUHLJD-GOSISDBHSA-N 1 1 462.664 2.712 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001296145148 1064255542 /nfs/dbraw/zinc/25/55/42/1064255542.db2.gz MBBUDJHQDLYSFP-INIZCTEOSA-N 1 1 470.965 2.583 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 ZINC001291772480 1064255776 /nfs/dbraw/zinc/25/57/76/1064255776.db2.gz OVJNEEILLCOJBM-ZWKOTPCHSA-N 1 1 463.652 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001291772349 1064255795 /nfs/dbraw/zinc/25/57/95/1064255795.db2.gz POCPDOPLWNZYCZ-IBGZPJMESA-N 1 1 480.592 2.957 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](OC)C1 ZINC001291772487 1064256265 /nfs/dbraw/zinc/25/62/65/1064256265.db2.gz PCLFLZANVZATGV-MSOLQXFVSA-N 1 1 453.591 2.538 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001291773064 1064257227 /nfs/dbraw/zinc/25/72/27/1064257227.db2.gz TUQSCNMPEINYGE-FSSWDIPSSA-N 1 1 484.693 2.820 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCOC[C@H]1C ZINC001291773216 1064257788 /nfs/dbraw/zinc/25/77/88/1064257788.db2.gz TVIKDSAOZYZKHU-ZWKOTPCHSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCOC[C@@H]1C ZINC001291773213 1064257905 /nfs/dbraw/zinc/25/79/05/1064257905.db2.gz TVIKDSAOZYZKHU-MSOLQXFVSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001291773465 1064258288 /nfs/dbraw/zinc/25/82/88/1064258288.db2.gz VSNZICOAUPUKPV-KRWDZBQOSA-N 1 1 456.570 2.991 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H]1C ZINC001296147229 1064258347 /nfs/dbraw/zinc/25/83/47/1064258347.db2.gz RPTVBWNNXMZDQO-NCXUSEDFSA-N 1 1 484.711 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001296147896 1064258868 /nfs/dbraw/zinc/25/88/68/1064258868.db2.gz UIBYYDOUZDAXGS-MOPGFXCFSA-N 1 1 478.663 2.502 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001296147897 1064258973 /nfs/dbraw/zinc/25/89/73/1064258973.db2.gz UIBYYDOUZDAXGS-OALUTQOASA-N 1 1 478.663 2.502 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148282 1064259460 /nfs/dbraw/zinc/25/94/60/1064259460.db2.gz VNRZXYXTLIKGHR-VQTJNVASSA-N 1 1 454.623 2.578 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@@H]1C ZINC001296148538 1064260359 /nfs/dbraw/zinc/26/03/59/1064260359.db2.gz XRHIRNZGLFXGEQ-GOEBONIOSA-N 1 1 478.594 2.661 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291774095 1064261671 /nfs/dbraw/zinc/26/16/71/1064261671.db2.gz LMIGPADECMAJCS-CNNODRBYSA-N 1 1 491.658 2.924 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCOC2=O)C[C@@H]1C ZINC001296151239 1064263013 /nfs/dbraw/zinc/26/30/13/1064263013.db2.gz WEOBACGPGWQEEC-INIZCTEOSA-N 1 1 462.982 2.980 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001291775235 1064264008 /nfs/dbraw/zinc/26/40/08/1064264008.db2.gz VRTSTSQIBBJEDQ-AZUAARDMSA-N 1 1 452.669 2.670 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC001296154438 1064264943 /nfs/dbraw/zinc/26/49/43/1064264943.db2.gz FLSGLURCUCLIPT-AFMDSPMNSA-N 1 1 481.645 2.910 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001296154450 1064265591 /nfs/dbraw/zinc/26/55/91/1064265591.db2.gz FOCWSCSVKFFGLB-CJAUYULYSA-N 1 1 467.618 2.927 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291778940 1064266767 /nfs/dbraw/zinc/26/67/67/1064266767.db2.gz MYZQNERAHVCDTG-NRFANRHFSA-N 1 1 483.661 2.946 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 ZINC001291778961 1064266855 /nfs/dbraw/zinc/26/68/55/1064266855.db2.gz NENMPBZCPGOKPN-IBGZPJMESA-N 1 1 452.582 2.855 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001296155307 1064267090 /nfs/dbraw/zinc/26/70/90/1064267090.db2.gz NWTJZTSGPQINCW-ZDUSSCGKSA-N 1 1 452.510 2.984 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291778994 1064267383 /nfs/dbraw/zinc/26/73/83/1064267383.db2.gz NPROQJLEDATSDW-HXUWFJFHSA-N 1 1 466.634 2.668 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296156370 1064268760 /nfs/dbraw/zinc/26/87/60/1064268760.db2.gz UBANYXDEMHHCPF-LJQANCHMSA-N 1 1 453.591 2.709 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291781759 1064268908 /nfs/dbraw/zinc/26/89/08/1064268908.db2.gz HSDQRIPATVUEFS-FQEVSTJZSA-N 1 1 463.630 2.840 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001296156854 1064269245 /nfs/dbraw/zinc/26/92/45/1064269245.db2.gz WACLUPMYIUYQPI-IBGZPJMESA-N 1 1 451.575 2.647 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001296157459 1064269923 /nfs/dbraw/zinc/26/99/23/1064269923.db2.gz XPEWBLWBJDVOKV-ZVDOUQERSA-N 1 1 453.635 2.889 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291782291 1064270527 /nfs/dbraw/zinc/27/05/27/1064270527.db2.gz CKIPCUPATMQJRM-VQIMIIECSA-N 1 1 470.039 2.864 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296157507 1064270670 /nfs/dbraw/zinc/27/06/70/1064270670.db2.gz YJSPLBRSCLVYOI-WSTZPKSXSA-N 1 1 470.622 2.911 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001296158185 1064271230 /nfs/dbraw/zinc/27/12/30/1064271230.db2.gz GQVZYQWZQPBGHX-KNOQFWTLSA-N 1 1 492.665 2.932 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001296159507 1064273652 /nfs/dbraw/zinc/27/36/52/1064273652.db2.gz MHGCNPNLWVFYES-SJLPKXTDSA-N 1 1 468.524 2.891 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)C[C@@H]1C ZINC001296162153 1064275651 /nfs/dbraw/zinc/27/56/51/1064275651.db2.gz SOIADGGAFNAEPD-PZJWPPBQSA-N 1 1 485.633 2.755 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277565 /nfs/dbraw/zinc/27/75/65/1064277565.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277576 /nfs/dbraw/zinc/27/75/76/1064277576.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277717 /nfs/dbraw/zinc/27/77/17/1064277717.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277726 /nfs/dbraw/zinc/27/77/26/1064277726.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 1 1 458.626 2.895 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291783918 1064277836 /nfs/dbraw/zinc/27/78/36/1064277836.db2.gz PITWTXQHMXABGQ-PMACEKPBSA-N 1 1 463.648 2.828 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001291783842 1064277860 /nfs/dbraw/zinc/27/78/60/1064277860.db2.gz CDSSESHXVZWONB-DENIHFKCSA-N 1 1 488.608 2.727 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291783920 1064277875 /nfs/dbraw/zinc/27/78/75/1064277875.db2.gz PITWTXQHMXABGQ-VQTJNVASSA-N 1 1 463.648 2.828 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001296163789 1064278924 /nfs/dbraw/zinc/27/89/24/1064278924.db2.gz XMYWLJXNJCSWEN-AZYRPFHASA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001296163789 1064278934 /nfs/dbraw/zinc/27/89/34/1064278934.db2.gz XMYWLJXNJCSWEN-AZYRPFHASA-N 1 1 451.587 2.979 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784379 1064278986 /nfs/dbraw/zinc/27/89/86/1064278986.db2.gz GYSZBWNYEDTRFI-IAGOWNOFSA-N 1 1 462.599 2.794 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784435 1064279428 /nfs/dbraw/zinc/27/94/28/1064279428.db2.gz RASJLXZAPHOVFO-YKSBVNFPSA-N 1 1 475.659 2.911 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291784853 1064279603 /nfs/dbraw/zinc/27/96/03/1064279603.db2.gz SJUAFCQMPNHZGV-FQEVSTJZSA-N 1 1 479.629 2.861 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001296163744 1064279512 /nfs/dbraw/zinc/27/95/12/1064279512.db2.gz YPEVGENDTHBXOQ-JTYJAPAGSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001296163744 1064279523 /nfs/dbraw/zinc/27/95/23/1064279523.db2.gz YPEVGENDTHBXOQ-JTYJAPAGSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001296163716 1064279721 /nfs/dbraw/zinc/27/97/21/1064279721.db2.gz YGYCWIZAMWSVGR-ZCNNSNEGSA-N 1 1 476.622 2.810 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296163935 1064280728 /nfs/dbraw/zinc/28/07/28/1064280728.db2.gz ZNXQAJDJCSCNAN-HKUYNNGSSA-N 1 1 458.573 2.977 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296164677 1064281666 /nfs/dbraw/zinc/28/16/66/1064281666.db2.gz ARDLNIVBKIVEAA-FQEVSTJZSA-N 1 1 450.587 2.751 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164738 1064282261 /nfs/dbraw/zinc/28/22/61/1064282261.db2.gz BNHYMCPODQFRBH-YLJYHZDGSA-N 1 1 474.654 2.831 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001291786298 1064283027 /nfs/dbraw/zinc/28/30/27/1064283027.db2.gz SCMXLRLKONOIKX-DYXWJJEUSA-N 1 1 475.613 2.593 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001291786790 1064283674 /nfs/dbraw/zinc/28/36/74/1064283674.db2.gz VKCHBNOZYWOMMH-PUHATCMVSA-N 1 1 490.693 2.961 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296166145 1064286309 /nfs/dbraw/zinc/28/63/09/1064286309.db2.gz LREJEAQJURUKDD-GOSISDBHSA-N 1 1 484.626 2.888 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001296166213 1064286819 /nfs/dbraw/zinc/28/68/19/1064286819.db2.gz NAGLIBDIGQEAIZ-UPCLLVRISA-N 1 1 486.642 2.918 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001296166574 1064287689 /nfs/dbraw/zinc/28/76/89/1064287689.db2.gz CKXHZLFBKIXBOV-INIZCTEOSA-N 1 1 460.508 2.846 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166224 1064287735 /nfs/dbraw/zinc/28/77/35/1064287735.db2.gz NHBGFRHKKJANAT-YADHBBJMSA-N 1 1 456.635 2.664 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001296166576 1064287809 /nfs/dbraw/zinc/28/78/09/1064287809.db2.gz CKXHZLFBKIXBOV-MRXNPFEDSA-N 1 1 460.508 2.846 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166720 1064288422 /nfs/dbraw/zinc/28/84/22/1064288422.db2.gz OYZIHHZOXXBGFL-VQTJNVASSA-N 1 1 473.691 2.920 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166721 1064288468 /nfs/dbraw/zinc/28/84/68/1064288468.db2.gz OYZIHHZOXXBGFL-WOJBJXKFSA-N 1 1 473.691 2.920 20 0 JFADMO CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001296167347 1064289544 /nfs/dbraw/zinc/28/95/44/1064289544.db2.gz GLBDPLFOMXVULX-OAQYLSRUSA-N 1 1 463.630 2.783 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289726 /nfs/dbraw/zinc/28/97/26/1064289726.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 1 1 459.664 2.532 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289746 /nfs/dbraw/zinc/28/97/46/1064289746.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 1 1 459.664 2.532 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290121 /nfs/dbraw/zinc/29/01/21/1064290121.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 1 1 456.635 2.807 20 0 JFADMO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C[C@H]1C ZINC001296173757 1064298912 /nfs/dbraw/zinc/29/89/12/1064298912.db2.gz LSPLCMXNIXBRQM-DSMAOHMUSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C[C@H]1C ZINC001296173757 1064298924 /nfs/dbraw/zinc/29/89/24/1064298924.db2.gz LSPLCMXNIXBRQM-DSMAOHMUSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296173920 1064299489 /nfs/dbraw/zinc/29/94/89/1064299489.db2.gz MREYACWEZDVLKU-SFHVURJKSA-N 1 1 454.550 2.582 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302733 /nfs/dbraw/zinc/30/27/33/1064302733.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 1 1 497.688 2.639 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302744 /nfs/dbraw/zinc/30/27/44/1064302744.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 1 1 497.688 2.639 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291796315 1064303272 /nfs/dbraw/zinc/30/32/72/1064303272.db2.gz ZKJFNZICDFALKY-BJLQDIEVSA-N 1 1 491.036 2.897 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291796315 1064303284 /nfs/dbraw/zinc/30/32/84/1064303284.db2.gz ZKJFNZICDFALKY-BJLQDIEVSA-N 1 1 491.036 2.897 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291796325 1064303756 /nfs/dbraw/zinc/30/37/56/1064303756.db2.gz ZKJFNZICDFALKY-NSHGMRRFSA-N 1 1 491.036 2.897 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291796325 1064303772 /nfs/dbraw/zinc/30/37/72/1064303772.db2.gz ZKJFNZICDFALKY-NSHGMRRFSA-N 1 1 491.036 2.897 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296175241 1064303901 /nfs/dbraw/zinc/30/39/01/1064303901.db2.gz VUQAHJHTMAXAQW-HXUWFJFHSA-N 1 1 472.634 2.507 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001296175288 1064304364 /nfs/dbraw/zinc/30/43/64/1064304364.db2.gz WLALWWWMCXQBLY-IBGZPJMESA-N 1 1 470.647 2.583 20 0 JFADMO CCN1CCN(C2CCN(c3nnc([C@@H]4CCCCO4)n3CC[N@@H+](CC)C(C)C)CC2)C1=O ZINC001296178617 1064305696 /nfs/dbraw/zinc/30/56/96/1064305696.db2.gz BMDSTERPERJIGT-NRFANRHFSA-N 1 1 461.655 2.976 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178938 1064307291 /nfs/dbraw/zinc/30/72/91/1064307291.db2.gz CPZWLYCHIKIPQR-GBXCKJPGSA-N 1 1 480.723 2.677 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180742 1064312342 /nfs/dbraw/zinc/31/23/42/1064312342.db2.gz QSKUEZKPDGECHH-CVDCTZTESA-N 1 1 462.042 2.617 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291802818 1064313339 /nfs/dbraw/zinc/31/33/39/1064313339.db2.gz FQXPCZSYGOJEIP-WOJBJXKFSA-N 1 1 479.629 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3C[C@H](C)OC)C2)CC1 ZINC001296181665 1064317032 /nfs/dbraw/zinc/31/70/32/1064317032.db2.gz AWJKVVQILYCLOZ-FCHUYYIVSA-N 1 1 456.635 2.725 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181640 1064317125 /nfs/dbraw/zinc/31/71/25/1064317125.db2.gz AEQMEWKSKVWEFU-TZIWHRDSSA-N 1 1 475.682 2.702 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181936 1064319895 /nfs/dbraw/zinc/31/98/95/1064319895.db2.gz HVKDEAONHHKDSZ-HSZRJFAPSA-N 1 1 497.688 2.918 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182595 1064323943 /nfs/dbraw/zinc/32/39/43/1064323943.db2.gz UYIXTYHISNISGJ-IBGZPJMESA-N 1 1 473.691 2.794 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296182881 1064325441 /nfs/dbraw/zinc/32/54/41/1064325441.db2.gz ALKAOAQHQOCAHV-WMZHIEFXSA-N 1 1 488.080 2.977 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296182991 1064326015 /nfs/dbraw/zinc/32/60/15/1064326015.db2.gz XJQHYVHXWYFYFU-OFNKIYASSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183511 1064328922 /nfs/dbraw/zinc/32/89/22/1064328922.db2.gz DRLXOKLIYLPPQP-QFIPXVFZSA-N 1 1 479.673 2.984 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296183826 1064329764 /nfs/dbraw/zinc/32/97/64/1064329764.db2.gz GOTYKQPMBCBULV-LEWJYISDSA-N 1 1 456.635 2.700 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296183858 1064330265 /nfs/dbraw/zinc/33/02/65/1064330265.db2.gz HHKFMABKQMQDAC-IBGZPJMESA-N 1 1 476.069 2.833 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001296184088 1064331189 /nfs/dbraw/zinc/33/11/89/1064331189.db2.gz IVGBQCJRGDWXBC-ZWKOTPCHSA-N 1 1 492.043 2.678 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296184991 1064332993 /nfs/dbraw/zinc/33/29/93/1064332993.db2.gz NCWCPUMQBGMPAB-SFHVURJKSA-N 1 1 483.583 2.804 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CC[NH+](CC)CC2)cn1 ZINC001296185683 1064333671 /nfs/dbraw/zinc/33/36/71/1064333671.db2.gz QNQAZHLYKWEBMU-LJQANCHMSA-N 1 1 454.623 2.973 20 0 JFADMO CC[C@@H]1CN(C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC001296188529 1064334889 /nfs/dbraw/zinc/33/48/89/1064334889.db2.gz LELYRVHKURNMOB-GOSISDBHSA-N 1 1 450.539 2.687 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190031 1064336906 /nfs/dbraw/zinc/33/69/06/1064336906.db2.gz AZXBNHKRGSTMNH-GMAHTHKFSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190364 1064337861 /nfs/dbraw/zinc/33/78/61/1064337861.db2.gz CODHTXQTMQDVFV-LJQANCHMSA-N 1 1 479.670 2.664 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191607 1064342617 /nfs/dbraw/zinc/34/26/17/1064342617.db2.gz KEBKARGLMFEBNW-HXUWFJFHSA-N 1 1 464.699 2.976 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291814997 1064343443 /nfs/dbraw/zinc/34/34/43/1064343443.db2.gz BIQRQUIISQKQCR-UXHICEINSA-N 1 1 453.635 2.879 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291815615 1064344566 /nfs/dbraw/zinc/34/45/66/1064344566.db2.gz ABCSETFBYPVQFY-PZJWPPBQSA-N 1 1 472.609 2.938 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192407 1064345314 /nfs/dbraw/zinc/34/53/14/1064345314.db2.gz DWKIPBROKMVGBT-FYYLOGMGSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192410 1064345475 /nfs/dbraw/zinc/34/54/75/1064345475.db2.gz DWKIPBROKMVGBT-JTHBVZDNSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC(Nc4cccnn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296192420 1064345950 /nfs/dbraw/zinc/34/59/50/1064345950.db2.gz FBBYUAJJKVHUGM-FQEVSTJZSA-N 1 1 469.682 2.720 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296192801 1064347371 /nfs/dbraw/zinc/34/73/71/1064347371.db2.gz GPNLFARUOWHYJW-NHCUHLMSSA-N 1 1 456.635 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(F)(F)C2)CC1 ZINC001296192796 1064347396 /nfs/dbraw/zinc/34/73/96/1064347396.db2.gz NSKNGJDNKUATDF-IBGZPJMESA-N 1 1 462.589 2.997 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291817327 1064348687 /nfs/dbraw/zinc/34/86/87/1064348687.db2.gz KGNKKCGACHETPL-FUPPJEDESA-N 1 1 468.646 2.639 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193156 1064348757 /nfs/dbraw/zinc/34/87/57/1064348757.db2.gz HQCRARZZSUJHMY-FPOVZHCZSA-N 1 1 475.682 2.923 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001296193254 1064349460 /nfs/dbraw/zinc/34/94/60/1064349460.db2.gz ORFJHGFJTMQDMX-IBGZPJMESA-N 1 1 455.582 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193355 1064350244 /nfs/dbraw/zinc/35/02/44/1064350244.db2.gz IKEMZKDDJBZGJZ-QUCCMNQESA-N 1 1 458.655 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296193557 1064351764 /nfs/dbraw/zinc/35/17/64/1064351764.db2.gz JSAQNECAAJNSPA-PMACEKPBSA-N 1 1 488.080 2.929 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291818211 1064353354 /nfs/dbraw/zinc/35/33/54/1064353354.db2.gz RGRRZBOPKIKTCI-VSKRKVRLSA-N 1 1 497.688 2.894 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296194338 1064354631 /nfs/dbraw/zinc/35/46/31/1064354631.db2.gz RIFHOEZOSIXMOO-NHCUHLMSSA-N 1 1 489.709 2.950 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001296194419 1064356131 /nfs/dbraw/zinc/35/61/31/1064356131.db2.gz SGTTXFKQCDTGDN-FGZHOGPDSA-N 1 1 464.699 2.771 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296194537 1064356881 /nfs/dbraw/zinc/35/68/81/1064356881.db2.gz MKIOJVNCFNEHIF-VWLOTQADSA-N 1 1 468.650 2.970 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC001296194870 1064358208 /nfs/dbraw/zinc/35/82/08/1064358208.db2.gz HCYULTDIGAHUPV-UHFFFAOYSA-N 1 1 469.682 2.553 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001296194979 1064358319 /nfs/dbraw/zinc/35/83/19/1064358319.db2.gz UIDDZFKJCZZNNS-PMACEKPBSA-N 1 1 473.691 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195041 1064359105 /nfs/dbraw/zinc/35/91/05/1064359105.db2.gz UUXXRGFCLBJBNJ-FGZHOGPDSA-N 1 1 456.683 2.553 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195642 1064359910 /nfs/dbraw/zinc/35/99/10/1064359910.db2.gz PRWHKFYQBJRPTH-RBBKRZOGSA-N 1 1 498.676 2.717 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1 ZINC001296195280 1064360309 /nfs/dbraw/zinc/36/03/09/1064360309.db2.gz NVTXNSSJGKROFN-UHFFFAOYSA-N 1 1 492.043 2.759 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195330 1064360347 /nfs/dbraw/zinc/36/03/47/1064360347.db2.gz OTBBKGBCJFBJPI-HZLPDVBGSA-N 1 1 492.709 2.671 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001296195281 1064360409 /nfs/dbraw/zinc/36/04/09/1064360409.db2.gz NVUWAKUJESLYSO-IBGZPJMESA-N 1 1 489.738 2.726 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001296195284 1064360434 /nfs/dbraw/zinc/36/04/34/1064360434.db2.gz NWZONYCDCVMVHZ-NRFANRHFSA-N 1 1 486.709 2.807 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296195395 1064360965 /nfs/dbraw/zinc/36/09/65/1064360965.db2.gz JFVVMERVGHAWRY-UHFFFAOYSA-N 1 1 494.482 2.689 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296195693 1064363276 /nfs/dbraw/zinc/36/32/76/1064363276.db2.gz QHSGFGMZCAXMRG-WOJBJXKFSA-N 1 1 488.080 2.964 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195871 1064364171 /nfs/dbraw/zinc/36/41/71/1064364171.db2.gz RIMDIMVJLVGEMM-LVXARBLLSA-N 1 1 486.709 2.809 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296196490 1064366342 /nfs/dbraw/zinc/36/63/42/1064366342.db2.gz TYUHMXAYGBBLSX-JOCHJYFZSA-N 1 1 473.710 2.904 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296196492 1064366416 /nfs/dbraw/zinc/36/64/16/1064366416.db2.gz TYUHMXAYGBBLSX-QFIPXVFZSA-N 1 1 473.710 2.904 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(OC)c3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296196675 1064369612 /nfs/dbraw/zinc/36/96/12/1064369612.db2.gz RMJKDPCKPWPYKB-UHFFFAOYSA-N 1 1 456.635 2.987 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296197075 1064372777 /nfs/dbraw/zinc/37/27/77/1064372777.db2.gz SQAXSBBXIRAVII-NRFANRHFSA-N 1 1 458.680 2.731 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296197131 1064373551 /nfs/dbraw/zinc/37/35/51/1064373551.db2.gz UXDULILSNQZYES-FQEVSTJZSA-N 1 1 472.634 2.605 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296197453 1064374112 /nfs/dbraw/zinc/37/41/12/1064374112.db2.gz WBJGQAMKSGIFSL-FQEVSTJZSA-N 1 1 474.053 2.718 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291826439 1064374553 /nfs/dbraw/zinc/37/45/53/1064374553.db2.gz HJBVCRHOIFHIMO-ADYITMSISA-N 1 1 490.693 2.803 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296202220 1064377001 /nfs/dbraw/zinc/37/70/01/1064377001.db2.gz GLDBLYJJSVZZCR-HXUWFJFHSA-N 1 1 460.598 2.639 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296202173 1064377061 /nfs/dbraw/zinc/37/70/61/1064377061.db2.gz FZHKULGGLWBUFS-OAQYLSRUSA-N 1 1 474.053 2.937 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3csc(C)n3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296202754 1064379117 /nfs/dbraw/zinc/37/91/17/1064379117.db2.gz HUOKYHZVCBRWAS-UHFFFAOYSA-N 1 1 453.607 2.897 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CSc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001296202947 1064379253 /nfs/dbraw/zinc/37/92/53/1064379253.db2.gz IXIVPNSSBCWOSD-UHFFFAOYSA-N 1 1 485.702 2.623 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296203759 1064382792 /nfs/dbraw/zinc/38/27/92/1064382792.db2.gz PAKJQLHVRVURME-FQEVSTJZSA-N 1 1 463.671 2.875 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203946 1064384143 /nfs/dbraw/zinc/38/41/43/1064384143.db2.gz DXOUDJLXTXRLLA-UHFFFAOYSA-N 1 1 458.561 2.621 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nnc2C(C)(C)C)CC1 ZINC001296204106 1064384999 /nfs/dbraw/zinc/38/49/99/1064384999.db2.gz SASCNGXWKDKMKY-JOCHJYFZSA-N 1 1 473.710 2.736 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001296204385 1064385632 /nfs/dbraw/zinc/38/56/32/1064385632.db2.gz VBNQMBWVCNVBLL-UHFFFAOYSA-N 1 1 480.617 2.799 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205200 1064389451 /nfs/dbraw/zinc/38/94/51/1064389451.db2.gz YHNSSNPBZBYRHF-PZJWPPBQSA-N 1 1 475.682 2.923 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205567 1064390994 /nfs/dbraw/zinc/39/09/94/1064390994.db2.gz WPAAZGRLZPGGLA-RXVVDRJESA-N 1 1 457.598 2.593 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205288 1064391118 /nfs/dbraw/zinc/39/11/18/1064391118.db2.gz RTZPKXMIKDUDIS-QFIPXVFZSA-N 1 1 483.661 2.583 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832080 1064394615 /nfs/dbraw/zinc/39/46/15/1064394615.db2.gz FVYFXUSGQLWIBW-FCHUYYIVSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296206360 1064395319 /nfs/dbraw/zinc/39/53/19/1064395319.db2.gz OIIQBBFQMUXLJY-UHFFFAOYSA-N 1 1 463.424 2.572 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296206446 1064396216 /nfs/dbraw/zinc/39/62/16/1064396216.db2.gz RDEMSVAAEZERBK-GOSISDBHSA-N 1 1 463.026 2.860 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296207577 1064397902 /nfs/dbraw/zinc/39/79/02/1064397902.db2.gz YLVRSWXAXLBZRC-NFBKMPQASA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296209913 1064400128 /nfs/dbraw/zinc/40/01/28/1064400128.db2.gz BLONBJFFQNJFIG-FQEVSTJZSA-N 1 1 484.542 2.803 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3csc(C)n3)nnc2N2CCC(COC)CC2)CC1 ZINC001296211347 1064402700 /nfs/dbraw/zinc/40/27/00/1064402700.db2.gz NSQNUGHKKHLLEG-UHFFFAOYSA-N 1 1 461.680 2.524 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001296211785 1064402831 /nfs/dbraw/zinc/40/28/31/1064402831.db2.gz PQQZWKQXWXYLKL-UHFFFAOYSA-N 1 1 476.714 2.524 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296212393 1064403768 /nfs/dbraw/zinc/40/37/68/1064403768.db2.gz YBHVNOVLAITKGP-NRFANRHFSA-N 1 1 456.635 2.520 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296212965 1064405098 /nfs/dbraw/zinc/40/50/98/1064405098.db2.gz DBEBAKWCUZZCTC-LEWJYISDSA-N 1 1 491.681 2.603 20 0 JFADMO CCN1CC[NH+](CCCn2c(CSc3ccccc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296213054 1064406602 /nfs/dbraw/zinc/40/66/02/1064406602.db2.gz FTSMSGWFGSNSSX-FQEVSTJZSA-N 1 1 474.675 2.832 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001291834338 1064409582 /nfs/dbraw/zinc/40/95/82/1064409582.db2.gz VXHIKAZPCYYGAC-LJQANCHMSA-N 1 1 476.069 2.975 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001291837220 1064420086 /nfs/dbraw/zinc/42/00/86/1064420086.db2.gz UOXLFOHIGJVBFK-OAQYLSRUSA-N 1 1 496.704 2.807 20 0 JFADMO Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c(N2CCCC2)[nH+]1 ZINC001296221365 1064440206 /nfs/dbraw/zinc/44/02/06/1064440206.db2.gz FYPLWVRNAGWWPG-UHFFFAOYSA-N 1 1 459.568 2.632 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CC(N)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC001291841438 1064441120 /nfs/dbraw/zinc/44/11/20/1064441120.db2.gz WBGSYVZYLKNRAE-HWHXTQLESA-N 1 1 486.686 2.728 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291844008 1064449991 /nfs/dbraw/zinc/44/99/91/1064449991.db2.gz FGJVCDPFHCQJDD-OAQYLSRUSA-N 1 1 456.635 2.703 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291867079 1064480082 /nfs/dbraw/zinc/48/00/82/1064480082.db2.gz QZYZVVCUFCQAST-JOCHJYFZSA-N 1 1 454.619 2.634 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291873730 1064488877 /nfs/dbraw/zinc/48/88/77/1064488877.db2.gz AJHYNFPVKBKSMR-MDNUFGMLSA-N 1 1 468.646 2.751 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001296240751 1064491653 /nfs/dbraw/zinc/49/16/53/1064491653.db2.gz WVOJJMPOJASQEQ-AZUAARDMSA-N 1 1 456.639 2.571 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882890 1064505395 /nfs/dbraw/zinc/50/53/95/1064505395.db2.gz QDEXMZZSUYGZFK-UKRRQHHQSA-N 1 1 454.522 2.612 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291889142 1064513658 /nfs/dbraw/zinc/51/36/58/1064513658.db2.gz RNCJWXFTAHKRRG-DRLORSAXSA-N 1 1 468.646 2.724 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291892803 1064520418 /nfs/dbraw/zinc/52/04/18/1064520418.db2.gz NCVQXDJBOPTWCJ-YMPZKCBVSA-N 1 1 468.646 2.724 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC001296256610 1064520922 /nfs/dbraw/zinc/52/09/22/1064520922.db2.gz FEIHAIGTMKPZNU-UHFFFAOYSA-N 1 1 450.539 2.520 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893008 1064520973 /nfs/dbraw/zinc/52/09/73/1064520973.db2.gz JLIPKRZHKRVIGS-DRLORSAXSA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893009 1064521003 /nfs/dbraw/zinc/52/10/03/1064521003.db2.gz JLIPKRZHKRVIGS-VRUMLPLGSA-N 1 1 468.646 2.845 20 0 JFADMO COc1ccc(CN2C[C@H](C(=O)Nc3cccc4c3CC[N@@H+](CC(C)(C)O)C4)CC2=O)cc1 ZINC001296258379 1064523912 /nfs/dbraw/zinc/52/39/12/1064523912.db2.gz QOXNFNHJCCMPNG-HXUWFJFHSA-N 1 1 451.567 2.811 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001291895685 1064527088 /nfs/dbraw/zinc/52/70/88/1064527088.db2.gz XNHURTPFGZJJJK-OAQYLSRUSA-N 1 1 466.634 2.983 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001291898324 1064529317 /nfs/dbraw/zinc/52/93/17/1064529317.db2.gz FKVYZBJDUZCQSH-YADHBBJMSA-N 1 1 465.602 2.757 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@@H](COC)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901684 1064532549 /nfs/dbraw/zinc/53/25/49/1064532549.db2.gz MSRIPNNUICJNKZ-YADHBBJMSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@@H](COC)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901684 1064532566 /nfs/dbraw/zinc/53/25/66/1064532566.db2.gz MSRIPNNUICJNKZ-YADHBBJMSA-N 1 1 457.619 2.782 20 0 JFADMO CCNC(=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CCC1 ZINC001296265631 1064532634 /nfs/dbraw/zinc/53/26/34/1064532634.db2.gz UHXUKKWOESKEAM-FQEVSTJZSA-N 1 1 454.619 2.736 20 0 JFADMO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001296268663 1064535688 /nfs/dbraw/zinc/53/56/88/1064535688.db2.gz PGUOPFKBRRZJEE-LJQANCHMSA-N 1 1 457.987 2.770 20 0 JFADMO CCNC(=O)c1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001296269896 1064538118 /nfs/dbraw/zinc/53/81/18/1064538118.db2.gz IOLOQJFTPJSWGA-OAQYLSRUSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1ccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001296269896 1064538130 /nfs/dbraw/zinc/53/81/30/1064538130.db2.gz IOLOQJFTPJSWGA-OAQYLSRUSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001296269895 1064538160 /nfs/dbraw/zinc/53/81/60/1064538160.db2.gz IOLOQJFTPJSWGA-NRFANRHFSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1ccc(Cn2c([C@@H](C)CC)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC001296269895 1064538173 /nfs/dbraw/zinc/53/81/73/1064538173.db2.gz IOLOQJFTPJSWGA-NRFANRHFSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC001296271142 1064539448 /nfs/dbraw/zinc/53/94/48/1064539448.db2.gz CBFWFNLTCBJNOY-SFHVURJKSA-N 1 1 466.586 2.801 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC001296277739 1064547571 /nfs/dbraw/zinc/54/75/71/1064547571.db2.gz JPFMQSLETJNKQK-XMSQKQJNSA-N 1 1 481.645 2.667 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001296281107 1064552157 /nfs/dbraw/zinc/55/21/57/1064552157.db2.gz SPKRBIVWCFNYAV-QFIPXVFZSA-N 1 1 452.530 2.577 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940744 1064556252 /nfs/dbraw/zinc/55/62/52/1064556252.db2.gz ISFJGDQUFPALJU-CEMLEFRQSA-N 1 1 476.666 2.714 20 0 JFADMO CCC(CC)(Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291941060 1064556939 /nfs/dbraw/zinc/55/69/39/1064556939.db2.gz MQEVACXTFQCHMR-NOZRDPDXSA-N 1 1 479.666 2.825 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296287254 1064559521 /nfs/dbraw/zinc/55/95/21/1064559521.db2.gz SGOBKGFRTDJXFI-VWNXMTODSA-N 1 1 481.689 2.810 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001291955567 1064570450 /nfs/dbraw/zinc/57/04/50/1064570450.db2.gz NJXZUUNIRGDNPX-COPCDDAFSA-N 1 1 457.623 2.733 20 0 JFADMO Cc1ccc2nc(CSCC(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)cn2c1 ZINC001291958800 1064572505 /nfs/dbraw/zinc/57/25/05/1064572505.db2.gz HUCLGJFIQSLVSW-UHFFFAOYSA-N 1 1 451.596 2.831 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001296298048 1064575422 /nfs/dbraw/zinc/57/54/22/1064575422.db2.gz DLKGSCUOXMCCPI-OAQYLSRUSA-N 1 1 485.702 2.621 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001296307854 1064588937 /nfs/dbraw/zinc/58/89/37/1064588937.db2.gz QDVXCYUOOFORQF-FQEVSTJZSA-N 1 1 485.633 2.688 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296312796 1064593123 /nfs/dbraw/zinc/59/31/23/1064593123.db2.gz ZVFNDURTXHKPLA-FQEVSTJZSA-N 1 1 454.623 2.704 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291985584 1064597572 /nfs/dbraw/zinc/59/75/72/1064597572.db2.gz ALKUMYHHBXEDEQ-XTWGIRIWSA-N 1 1 475.682 2.812 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001296317468 1064600629 /nfs/dbraw/zinc/60/06/29/1064600629.db2.gz PPYZDGFRNDFZBV-UHFFFAOYSA-N 1 1 482.658 2.617 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001296324253 1064608775 /nfs/dbraw/zinc/60/87/75/1064608775.db2.gz HQYFGPBZDVTVPW-SFHVURJKSA-N 1 1 487.674 2.913 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291996207 1064613086 /nfs/dbraw/zinc/61/30/86/1064613086.db2.gz YCUNLMPBUPGETN-HXUWFJFHSA-N 1 1 499.479 2.724 20 0 JFADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001296327833 1064622175 /nfs/dbraw/zinc/62/21/75/1064622175.db2.gz ZHHUWLKDOKKVDE-RTWAWAEBSA-N 1 1 460.648 2.584 20 0 JFADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC001292003861 1064623624 /nfs/dbraw/zinc/62/36/24/1064623624.db2.gz DTIIDFDUMNCAMA-OAQYLSRUSA-N 1 1 450.649 2.930 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016181 1064648521 /nfs/dbraw/zinc/64/85/21/1064648521.db2.gz DDOABSWIYACRIY-KNQAVFIVSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017647 1064650857 /nfs/dbraw/zinc/65/08/57/1064650857.db2.gz LMWDARKOCDEQHH-NFBKMPQASA-N 1 1 487.693 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cc(F)cc(OC)c1 ZINC001292018048 1064651632 /nfs/dbraw/zinc/65/16/32/1064651632.db2.gz OMOUSTNQTCNTOW-HTAPYJJXSA-N 1 1 488.608 2.549 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1cc(F)cc(OC)c1 ZINC001292018049 1064652327 /nfs/dbraw/zinc/65/23/27/1064652327.db2.gz OMOUSTNQTCNTOW-JTSKRJEESA-N 1 1 488.608 2.549 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020474 1064660518 /nfs/dbraw/zinc/66/05/18/1064660518.db2.gz HQSKIWUHQLYHIC-ZWKOTPCHSA-N 1 1 487.624 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292023368 1064670404 /nfs/dbraw/zinc/67/04/04/1064670404.db2.gz PNHKEQOLXVQKMU-TYPHKJRUSA-N 1 1 464.655 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292023367 1064670480 /nfs/dbraw/zinc/67/04/80/1064670480.db2.gz PNHKEQOLXVQKMU-SESVDKBCSA-N 1 1 464.655 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC=CCC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001292033018 1064691066 /nfs/dbraw/zinc/69/10/66/1064691066.db2.gz JNMPFOKUZIOADT-UHFFFAOYSA-N 1 1 452.603 2.843 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001292040447 1064705081 /nfs/dbraw/zinc/70/50/81/1064705081.db2.gz DYJPHDURKNYAJL-MHZLTWQESA-N 1 1 495.672 2.607 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC1CCC(OC)CC1 ZINC001292040466 1064705166 /nfs/dbraw/zinc/70/51/66/1064705166.db2.gz FKJIBFXBRUMPBX-AJPKXHFHSA-N 1 1 476.666 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)c1c(C)noc1C ZINC001292040819 1064705502 /nfs/dbraw/zinc/70/55/02/1064705502.db2.gz IFSBLRDHFXYJMW-GKVSMKOHSA-N 1 1 487.649 2.906 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001292041105 1064705902 /nfs/dbraw/zinc/70/59/02/1064705902.db2.gz JPANPYQEIDBLFL-CUNXSJBXSA-N 1 1 495.672 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CCC(=O)N(C)C ZINC001292050712 1064715798 /nfs/dbraw/zinc/71/57/98/1064715798.db2.gz SELWNMSDGYRAMF-UHFFFAOYSA-N 1 1 484.649 2.592 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001292051358 1064716087 /nfs/dbraw/zinc/71/60/87/1064716087.db2.gz XGBVOKLEYARVPM-DFBJGRDBSA-N 1 1 454.619 2.565 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292053706 1064718599 /nfs/dbraw/zinc/71/85/99/1064718599.db2.gz RPAXODRWZKQQKY-DHIUTWEWSA-N 1 1 490.693 2.949 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cc(F)ccc1OC ZINC001292054756 1064721510 /nfs/dbraw/zinc/72/15/10/1064721510.db2.gz IIPUYFAHJLRTAF-SFHVURJKSA-N 1 1 488.608 2.551 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H]1CCC=CO1 ZINC001292062845 1064734261 /nfs/dbraw/zinc/73/42/61/1064734261.db2.gz GRJQHQYCCXHIBE-HSZRJFAPSA-N 1 1 487.693 2.884 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCC[NH+]1CCOCC1 ZINC001292066888 1064744642 /nfs/dbraw/zinc/74/46/42/1064744642.db2.gz VKJUAJKIFGHKCU-UTKZUKDTSA-N 1 1 487.476 2.939 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292070556 1064749753 /nfs/dbraw/zinc/74/97/53/1064749753.db2.gz OCCVOSLDBYJBLF-VQTJNVASSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292074097 1064753383 /nfs/dbraw/zinc/75/33/83/1064753383.db2.gz LLMPCDLULVSIOH-HXUWFJFHSA-N 1 1 469.634 2.980 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292074094 1064753456 /nfs/dbraw/zinc/75/34/56/1064753456.db2.gz LLMPCDLULVSIOH-FQEVSTJZSA-N 1 1 469.634 2.980 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cccc3OC)C2)n1CC[NH+]1CCSCC1 ZINC001292074231 1064753826 /nfs/dbraw/zinc/75/38/26/1064753826.db2.gz NKJQQNWWJKESID-UHFFFAOYSA-N 1 1 472.659 2.817 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292076184 1064757056 /nfs/dbraw/zinc/75/70/56/1064757056.db2.gz LWKYKLNSGIDEFP-MHPIHPPYSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292086423 1064769115 /nfs/dbraw/zinc/76/91/15/1064769115.db2.gz SEYWXQZLZNJWJI-GHTZIAJQSA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292086780 1064770141 /nfs/dbraw/zinc/77/01/41/1064770141.db2.gz WJYGZNHVFYVKRX-DLBZAZTESA-N 1 1 474.572 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292090533 1064776058 /nfs/dbraw/zinc/77/60/58/1064776058.db2.gz PXGDOFGGYRYBSS-RTWAWAEBSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001292092639 1064780988 /nfs/dbraw/zinc/78/09/88/1064780988.db2.gz YQOAOJOUAPAEQV-SFTDATJTSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292093046 1064781650 /nfs/dbraw/zinc/78/16/50/1064781650.db2.gz DDXQGLMSYHMSDN-NHCUHLMSSA-N 1 1 485.681 2.663 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCCn1cc[nH+]c1C ZINC001292093959 1064782849 /nfs/dbraw/zinc/78/28/49/1064782849.db2.gz HBYFNCOCQJGXKJ-LJQANCHMSA-N 1 1 467.622 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CC[NH+]1CCSCC1 ZINC001292094755 1064785483 /nfs/dbraw/zinc/78/54/83/1064785483.db2.gz PFLPYOYOGCIPOM-WOJBJXKFSA-N 1 1 478.707 2.888 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292099324 1064789643 /nfs/dbraw/zinc/78/96/43/1064789643.db2.gz AVYPNRWMJJUETF-ROUUACIJSA-N 1 1 469.594 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001292104422 1064796916 /nfs/dbraw/zinc/79/69/16/1064796916.db2.gz FICNDGAMJYCEBS-UYAOXDASSA-N 1 1 474.629 2.781 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCn1ccnc1C ZINC001292104879 1064797737 /nfs/dbraw/zinc/79/77/37/1064797737.db2.gz KGILMIBXMRIHSK-UHFFFAOYSA-N 1 1 456.639 2.856 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccn(CC)c1=O ZINC001292105590 1064799504 /nfs/dbraw/zinc/79/95/04/1064799504.db2.gz MJEMKLQUMWGVBN-UHFFFAOYSA-N 1 1 471.650 2.737 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001292108716 1064806211 /nfs/dbraw/zinc/80/62/11/1064806211.db2.gz BIJSWKCFPGADQX-SFHVURJKSA-N 1 1 484.649 2.665 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001292110962 1064817618 /nfs/dbraw/zinc/81/76/18/1064817618.db2.gz OKTZUZNJQPQMDP-LJQANCHMSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292115166 1064831983 /nfs/dbraw/zinc/83/19/83/1064831983.db2.gz LEWVOYGWGBNGFJ-DEOSSOPVSA-N 1 1 495.672 2.702 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292115259 1064833081 /nfs/dbraw/zinc/83/30/81/1064833081.db2.gz HFOVMCZXTYHQQZ-FQEVSTJZSA-N 1 1 498.607 2.953 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292117228 1064843275 /nfs/dbraw/zinc/84/32/75/1064843275.db2.gz ZGMBEBWJUSSLQI-HXUWFJFHSA-N 1 1 483.661 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292117601 1064844893 /nfs/dbraw/zinc/84/48/93/1064844893.db2.gz MWLICTXWWQPQMM-HXUWFJFHSA-N 1 1 483.661 2.621 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292118085 1064848611 /nfs/dbraw/zinc/84/86/11/1064848611.db2.gz WNJWCGIXCYKHMA-QFIPXVFZSA-N 1 1 497.688 2.800 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1c(C)noc1C ZINC001292124037 1064864006 /nfs/dbraw/zinc/86/40/06/1064864006.db2.gz DHVLCXCEHSEQJZ-MRXNPFEDSA-N 1 1 473.622 2.539 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H]1C[C@H]1C ZINC001292124115 1064864595 /nfs/dbraw/zinc/86/45/95/1064864595.db2.gz LIEFLXMEIKOUMY-CBQOVEMMSA-N 1 1 454.619 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCOC1 ZINC001292124700 1064866538 /nfs/dbraw/zinc/86/65/38/1064866538.db2.gz OSSVOWBPDVTXMN-CTNGQTDRSA-N 1 1 454.619 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001292125323 1064868316 /nfs/dbraw/zinc/86/83/16/1064868316.db2.gz BTIYKPCUQDWNQS-ATIYNZHBSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCCC1 ZINC001292126229 1064875089 /nfs/dbraw/zinc/87/50/89/1064875089.db2.gz ZKSYUZZVNPYFQN-HXUWFJFHSA-N 1 1 495.672 2.953 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001292126250 1064875177 /nfs/dbraw/zinc/87/51/77/1064875177.db2.gz ZWHGJBKGWNJFEP-OAHLLOKOSA-N 1 1 465.549 2.772 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001292126884 1064878658 /nfs/dbraw/zinc/87/86/58/1064878658.db2.gz RFQUBSYLIFQPLF-HSZRJFAPSA-N 1 1 460.648 2.741 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H]1CSCCS1 ZINC001292132142 1064884430 /nfs/dbraw/zinc/88/44/30/1064884430.db2.gz DVXVBKMDMFMJFT-MSOLQXFVSA-N 1 1 452.694 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCCc1ccccc1 ZINC001292132372 1064885625 /nfs/dbraw/zinc/88/56/25/1064885625.db2.gz APRVRYFEFNBVEW-QFIPXVFZSA-N 1 1 454.619 2.740 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCCc1ccccc1 ZINC001292132372 1064885631 /nfs/dbraw/zinc/88/56/31/1064885631.db2.gz APRVRYFEFNBVEW-QFIPXVFZSA-N 1 1 454.619 2.740 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001292133383 1064887588 /nfs/dbraw/zinc/88/75/88/1064887588.db2.gz JDOFQZMPEQUYCS-RUZDIDTESA-N 1 1 489.665 2.882 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@@H](OC)C(F)(F)F ZINC001292134534 1064894609 /nfs/dbraw/zinc/89/46/09/1064894609.db2.gz SZTJFHFWRZJJHX-DLBZAZTESA-N 1 1 460.545 2.838 20 0 JFADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@H](C)O1 ZINC001292149044 1064927172 /nfs/dbraw/zinc/92/71/72/1064927172.db2.gz OQHYFUGLFWHTDD-UXLLHSPISA-N 1 1 458.340 2.770 20 0 JFADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@H](C)O1 ZINC001292149044 1064927186 /nfs/dbraw/zinc/92/71/86/1064927186.db2.gz OQHYFUGLFWHTDD-UXLLHSPISA-N 1 1 458.340 2.770 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001292151888 1064931156 /nfs/dbraw/zinc/93/11/56/1064931156.db2.gz VPTQMWBRLUMYKY-FUHWJXTLSA-N 1 1 477.654 2.783 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292153146 1064931979 /nfs/dbraw/zinc/93/19/79/1064931979.db2.gz CLPBDUHEVBURQI-SJLPKXTDSA-N 1 1 487.615 2.857 20 0 JFADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1C)[N@H+]1CCc2ccccc2C1 ZINC001292160121 1064942062 /nfs/dbraw/zinc/94/20/62/1064942062.db2.gz NFYRQZDKRIRJFP-QHCPKHFHSA-N 1 1 478.645 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001292164290 1064950800 /nfs/dbraw/zinc/95/08/00/1064950800.db2.gz NPHJYZXODVZCKK-UHFFFAOYSA-N 1 1 476.666 2.847 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001292165669 1064953067 /nfs/dbraw/zinc/95/30/67/1064953067.db2.gz PAKJOFAZAXTEAF-NLFFAJNJSA-N 1 1 476.666 2.847 20 0 JFADMO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170372 1064956016 /nfs/dbraw/zinc/95/60/16/1064956016.db2.gz CELKNNAWRJZEIJ-ICSRJNTNSA-N 1 1 496.653 2.806 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172153 1064958266 /nfs/dbraw/zinc/95/82/66/1064958266.db2.gz JFHVYFAHLLYYCK-AQNXPRMDSA-N 1 1 491.681 2.838 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172154 1064958307 /nfs/dbraw/zinc/95/83/07/1064958307.db2.gz JFHVYFAHLLYYCK-VAMGGRTRSA-N 1 1 491.681 2.838 20 0 JFADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173589 1064962258 /nfs/dbraw/zinc/96/22/58/1064962258.db2.gz NNDWZFRLVYKJOE-LVCYWYKZSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001292174920 1064964591 /nfs/dbraw/zinc/96/45/91/1064964591.db2.gz PJVRKXQAQQRXMN-LAUBAEHRSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292199776 1064991002 /nfs/dbraw/zinc/99/10/02/1064991002.db2.gz OPZDNQFPGUVWTD-KBMIEXCESA-N 1 1 485.633 2.944 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208060 1064996967 /nfs/dbraw/zinc/99/69/67/1064996967.db2.gz AXDZAZILXLAVOW-JTHBVZDNSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208060 1064996977 /nfs/dbraw/zinc/99/69/77/1064996977.db2.gz AXDZAZILXLAVOW-JTHBVZDNSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208850 1064998466 /nfs/dbraw/zinc/99/84/66/1064998466.db2.gz GBEDPTIOCZTAHX-UYAOXDASSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208850 1064998474 /nfs/dbraw/zinc/99/84/74/1064998474.db2.gz GBEDPTIOCZTAHX-UYAOXDASSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292218872 1065005590 /nfs/dbraw/zinc/00/55/90/1065005590.db2.gz JVRFWHCYFAJMHP-WWPVKYPJSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292218872 1065005604 /nfs/dbraw/zinc/00/56/04/1065005604.db2.gz JVRFWHCYFAJMHP-WWPVKYPJSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001292225257 1065012615 /nfs/dbraw/zinc/01/26/15/1065012615.db2.gz QICHHXABLIKTSK-WTGUMLROSA-N 1 1 480.654 2.930 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOC)CC1)Oc1cccc(F)c1 ZINC001292225781 1065012844 /nfs/dbraw/zinc/01/28/44/1065012844.db2.gz PODUVIFZXUTQSW-PZJWPPBQSA-N 1 1 461.582 2.937 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292226995 1065014693 /nfs/dbraw/zinc/01/46/93/1065014693.db2.gz VCCGNSWGDXNQAU-VXKWHMMOSA-N 1 1 454.619 2.581 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001292229297 1065016526 /nfs/dbraw/zinc/01/65/26/1065016526.db2.gz FFBSCACQLPBFJD-RTWAWAEBSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001292229297 1065016538 /nfs/dbraw/zinc/01/65/38/1065016538.db2.gz FFBSCACQLPBFJD-RTWAWAEBSA-N 1 1 488.608 2.832 20 0 JFADMO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001292271652 1065049277 /nfs/dbraw/zinc/04/92/77/1065049277.db2.gz GEXDNRIIHPQTRR-PKOBYXMFSA-N 1 1 461.632 2.573 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001292325713 1065086043 /nfs/dbraw/zinc/08/60/43/1065086043.db2.gz JKFXTPOKICGUFT-QZTJIDSGSA-N 1 1 458.525 2.765 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001292347905 1065095366 /nfs/dbraw/zinc/09/53/66/1065095366.db2.gz XSQBHHYIYHKPNM-QPXQOZNCSA-N 1 1 484.711 2.650 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001292379285 1065123272 /nfs/dbraw/zinc/12/32/72/1065123272.db2.gz KAZGSEVJPMGNTI-DVECYGJZSA-N 1 1 461.582 2.848 20 0 JFADMO C[C@H](NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454324 1065176194 /nfs/dbraw/zinc/17/61/94/1065176194.db2.gz MPLFQMIXMDVIEI-RXFWQSSRSA-N 1 1 450.583 2.757 20 0 JFADMO CCc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292458439 1065181529 /nfs/dbraw/zinc/18/15/29/1065181529.db2.gz OUFUGNCWNAMPQP-FCHUYYIVSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001292475792 1065200271 /nfs/dbraw/zinc/20/02/71/1065200271.db2.gz DOEOXKHSDLOMBJ-JOCHJYFZSA-N 1 1 488.702 2.547 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCS(=O)(=O)CC)n2C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292475366 1065200337 /nfs/dbraw/zinc/20/03/37/1065200337.db2.gz UPWRBGICZKZWKL-IBGZPJMESA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001292478651 1065202778 /nfs/dbraw/zinc/20/27/78/1065202778.db2.gz IHGLQABMMOPCJI-VQTJNVASSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([N@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CC(C)(C)O)cc1 ZINC001292479739 1065203610 /nfs/dbraw/zinc/20/36/10/1065203610.db2.gz TUJZQIJOTOBXCQ-CVDCTZTESA-N 1 1 468.646 2.657 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484736 1065206426 /nfs/dbraw/zinc/20/64/26/1065206426.db2.gz GLCOERADXDGBHO-NNMXDRDESA-N 1 1 474.675 2.850 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001292488935 1065210611 /nfs/dbraw/zinc/21/06/11/1065210611.db2.gz UXDNFIUJXFNMTB-KBMIEXCESA-N 1 1 454.619 2.710 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001292497397 1065216779 /nfs/dbraw/zinc/21/67/79/1065216779.db2.gz FZIPLDHDVVVMMC-UHFFFAOYSA-N 1 1 467.662 2.638 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2CCCn2cc[nH+]c2C)cc1 ZINC001292497675 1065217274 /nfs/dbraw/zinc/21/72/74/1065217274.db2.gz IOFIPNVOSPTORK-UHFFFAOYSA-N 1 1 485.658 2.963 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001292498280 1065218219 /nfs/dbraw/zinc/21/82/19/1065218219.db2.gz QRDKVQOEELCCPW-QHCPKHFHSA-N 1 1 488.702 2.549 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001292506014 1065223388 /nfs/dbraw/zinc/22/33/88/1065223388.db2.gz CPIOSKVAMMKDIO-IFMALSPDSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2C[C@H](F)COC)cc1 ZINC001292512219 1065229786 /nfs/dbraw/zinc/22/97/86/1065229786.db2.gz DLLYPQNVDQZWSW-QFIPXVFZSA-N 1 1 455.582 2.938 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001292512336 1065230160 /nfs/dbraw/zinc/23/01/60/1065230160.db2.gz IIBQZECIRYHRAH-UHFFFAOYSA-N 1 1 478.645 2.726 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CC[N@H+](C)[C@@H](C)CC)cc1 ZINC001292512997 1065231623 /nfs/dbraw/zinc/23/16/23/1065231623.db2.gz ZPHDUDZYYBEPDW-NRFANRHFSA-N 1 1 495.672 2.509 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513204 1065232058 /nfs/dbraw/zinc/23/20/58/1065232058.db2.gz AGZRBOAYPRXGAY-OFNKIYASSA-N 1 1 495.672 2.555 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)cc1C ZINC001292516439 1065237030 /nfs/dbraw/zinc/23/70/30/1065237030.db2.gz SKDFISNWKACJAQ-GOTSBHOMSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520802 1065246483 /nfs/dbraw/zinc/24/64/83/1065246483.db2.gz UPWCYVIBHREUNG-SHQCIBLASA-N 1 1 484.689 2.900 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292524402 1065249517 /nfs/dbraw/zinc/24/95/17/1065249517.db2.gz FKAOTCGPLCLQJP-JQVVWYNYSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2CC[N@@H+](C)CCCOC)cc1 ZINC001292525262 1065251257 /nfs/dbraw/zinc/25/12/57/1065251257.db2.gz QXZVPMPGSGHCQC-XMMPIXPASA-N 1 1 456.591 2.507 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001292526785 1065253357 /nfs/dbraw/zinc/25/33/57/1065253357.db2.gz ZUOVYEVLQXAXRJ-SFHVURJKSA-N 1 1 471.631 2.573 20 0 JFADMO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541764 1065263888 /nfs/dbraw/zinc/26/38/88/1065263888.db2.gz WZJBKTRNDDXYND-NHCUHLMSSA-N 1 1 454.615 2.900 20 0 JFADMO CCc1ccccc1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001292567025 1065277930 /nfs/dbraw/zinc/27/79/30/1065277930.db2.gz NXNDJGLDAMDXOU-NBGIEHNGSA-N 1 1 457.619 2.914 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC001292585360 1065301317 /nfs/dbraw/zinc/30/13/17/1065301317.db2.gz UYJHGXZDBZXGCO-QGZVFWFLSA-N 1 1 455.559 2.990 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)O ZINC001292589143 1065305324 /nfs/dbraw/zinc/30/53/24/1065305324.db2.gz IBLIHTHEKFFLNC-NHCUHLMSSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292597847 1065318017 /nfs/dbraw/zinc/31/80/17/1065318017.db2.gz ZAQCVGBGSIFCMF-DFBJGRDBSA-N 1 1 454.619 2.866 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292601437 1065324872 /nfs/dbraw/zinc/32/48/72/1065324872.db2.gz YJXXBJGGZFUUQN-UHFFFAOYSA-N 1 1 484.645 2.635 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001292601437 1065324876 /nfs/dbraw/zinc/32/48/76/1065324876.db2.gz YJXXBJGGZFUUQN-UHFFFAOYSA-N 1 1 484.645 2.635 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292603792 1065327293 /nfs/dbraw/zinc/32/72/93/1065327293.db2.gz NWJCEINXJGGJTE-OAQYLSRUSA-N 1 1 497.688 2.537 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292608506 1065334534 /nfs/dbraw/zinc/33/45/34/1065334534.db2.gz CZMHCJSPCQOYSQ-QFIPXVFZSA-N 1 1 454.619 2.962 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292609577 1065335984 /nfs/dbraw/zinc/33/59/84/1065335984.db2.gz DTQCXHWDNRPBTJ-HXUWFJFHSA-N 1 1 454.619 2.818 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292609856 1065336936 /nfs/dbraw/zinc/33/69/36/1065336936.db2.gz OXCKSRUAQGFRFI-UNMCSNQZSA-N 1 1 484.645 2.622 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001292610450 1065338047 /nfs/dbraw/zinc/33/80/47/1065338047.db2.gz PWQWMPDFKOABHA-UHFFFAOYSA-N 1 1 469.634 2.755 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)COC ZINC001292610984 1065340443 /nfs/dbraw/zinc/34/04/43/1065340443.db2.gz ZEJNGWDBGOBJMB-QFIPXVFZSA-N 1 1 498.672 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ccc(C)nc1 ZINC001292615189 1065347389 /nfs/dbraw/zinc/34/73/89/1065347389.db2.gz OSOALFXPIYLVOB-UHFFFAOYSA-N 1 1 450.587 2.940 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3CCOC[C@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616047 1065350138 /nfs/dbraw/zinc/35/01/38/1065350138.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 1 1 456.635 2.671 20 0 JFADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([C@H]3c4ccccc4NC3=O)CC2)CC1 ZINC001292622858 1065358232 /nfs/dbraw/zinc/35/82/32/1065358232.db2.gz ZEQLGGDHVFQWMT-QFIPXVFZSA-N 1 1 456.587 2.950 20 0 JFADMO CCc1cnc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC001292638588 1065374569 /nfs/dbraw/zinc/37/45/69/1065374569.db2.gz IFIIKPSHEWTWQI-HXUWFJFHSA-N 1 1 482.658 2.938 20 0 JFADMO O=C(CNC(=O)c1c(F)ccc(Br)c1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660139 1065395239 /nfs/dbraw/zinc/39/52/39/1065395239.db2.gz AWNHYPFKMRVHQD-UHFFFAOYSA-N 1 1 452.299 2.802 20 0 JFADMO O=C(CNC(=O)C1(c2ccccc2Br)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660196 1065395987 /nfs/dbraw/zinc/39/59/87/1065395987.db2.gz CXJABVUFWYZCHM-UHFFFAOYSA-N 1 1 456.384 2.941 20 0 JFADMO O=C(CNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660694 1065397322 /nfs/dbraw/zinc/39/73/22/1065397322.db2.gz MAWOGZIQXQVZKU-HSZRJFAPSA-N 1 1 455.002 2.765 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001292673223 1065412829 /nfs/dbraw/zinc/41/28/29/1065412829.db2.gz HLOLJJWAUIPJFJ-DOTOQJQBSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001292673223 1065412834 /nfs/dbraw/zinc/41/28/34/1065412834.db2.gz HLOLJJWAUIPJFJ-DOTOQJQBSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001292678510 1065417762 /nfs/dbraw/zinc/41/77/62/1065417762.db2.gz NPMUKFNBXPJDAT-SBUREZEXSA-N 1 1 455.632 2.855 20 0 JFADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)no1 ZINC001292696567 1065446516 /nfs/dbraw/zinc/44/65/16/1065446516.db2.gz SJDSZNUDMOPBTL-MOPGFXCFSA-N 1 1 472.638 2.695 20 0 JFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2cn(Cc3cccs3)nn2)c1)C1CCOCC1 ZINC001292707046 1065462751 /nfs/dbraw/zinc/46/27/51/1065462751.db2.gz WMXJXRACSLHPFX-UHFFFAOYSA-N 1 1 455.584 2.808 20 0 JFADMO CCc1nc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)cs1 ZINC001292721808 1065484178 /nfs/dbraw/zinc/48/41/78/1065484178.db2.gz ZIQGXWMUNVMKNK-UHFFFAOYSA-N 1 1 472.644 2.630 20 0 JFADMO C[N@H+](CCc1ccccc1)CC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC001292743619 1065502716 /nfs/dbraw/zinc/50/27/16/1065502716.db2.gz LPHBWESXIHYOBJ-UHFFFAOYSA-N 1 1 450.612 2.973 20 0 JFADMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC001292743619 1065502725 /nfs/dbraw/zinc/50/27/25/1065502725.db2.gz LPHBWESXIHYOBJ-UHFFFAOYSA-N 1 1 450.612 2.973 20 0 JFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC001292742667 1065502756 /nfs/dbraw/zinc/50/27/56/1065502756.db2.gz XWNXLVDUTYVIHS-UHFFFAOYSA-N 1 1 452.580 2.866 20 0 JFADMO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001292768659 1065523434 /nfs/dbraw/zinc/52/34/34/1065523434.db2.gz DMTAPZSCNPYBJK-OALUTQOASA-N 1 1 493.100 2.784 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c([C@@H](C)CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001292775322 1065533686 /nfs/dbraw/zinc/53/36/86/1065533686.db2.gz WXQCLDIZWNIIGO-ROUUACIJSA-N 1 1 459.639 2.834 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(C2CCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001292778263 1065538185 /nfs/dbraw/zinc/53/81/85/1065538185.db2.gz SDKOOLKJHMAYHI-UHFFFAOYSA-N 1 1 459.639 2.693 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001292780358 1065539595 /nfs/dbraw/zinc/53/95/95/1065539595.db2.gz BXRQUOGTLVXTNA-ROUUACIJSA-N 1 1 452.607 2.536 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001292780355 1065539700 /nfs/dbraw/zinc/53/97/00/1065539700.db2.gz BXRQUOGTLVXTNA-QZTJIDSGSA-N 1 1 452.607 2.536 20 0 JFADMO CCc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292813116 1065563727 /nfs/dbraw/zinc/56/37/27/1065563727.db2.gz DIEOBUSXSIEFBK-HSALFYBXSA-N 1 1 456.639 2.624 20 0 JFADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(N4CCC[C@H](C(N)=O)C4)cc3)CC2)oc1C ZINC001292880659 1065583994 /nfs/dbraw/zinc/58/39/94/1065583994.db2.gz KVNBKLYEBKKMOS-NRFANRHFSA-N 1 1 453.587 2.635 20 0 JFADMO CCc1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001292889193 1065586216 /nfs/dbraw/zinc/58/62/16/1065586216.db2.gz NMVCDXFMRGITRT-IBGZPJMESA-N 1 1 490.605 2.552 20 0 JFADMO CCc1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001292889194 1065586273 /nfs/dbraw/zinc/58/62/73/1065586273.db2.gz NMVCDXFMRGITRT-LJQANCHMSA-N 1 1 490.605 2.552 20 0 JFADMO CCc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001292889491 1065587124 /nfs/dbraw/zinc/58/71/24/1065587124.db2.gz RERGJEBYGJIPMV-UHFFFAOYSA-N 1 1 484.414 2.852 20 0 JFADMO CCc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001292889491 1065587137 /nfs/dbraw/zinc/58/71/37/1065587137.db2.gz RERGJEBYGJIPMV-UHFFFAOYSA-N 1 1 484.414 2.852 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892390 1065589761 /nfs/dbraw/zinc/58/97/61/1065589761.db2.gz CTKSBHYUTTZFJP-RBBKRZOGSA-N 1 1 454.619 2.607 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292892410 1065590421 /nfs/dbraw/zinc/59/04/21/1065590421.db2.gz DMVXFRRFLZVDLW-YJBOKZPZSA-N 1 1 451.518 2.656 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893220 1065593105 /nfs/dbraw/zinc/59/31/05/1065593105.db2.gz MKZGMOZFCNPVTQ-YCRNBWNJSA-N 1 1 472.609 2.826 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893414 1065593792 /nfs/dbraw/zinc/59/37/92/1065593792.db2.gz NQKZQAKGFPPPFG-FUHWJXTLSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1cc(C)ccc1OC(F)F ZINC001292893858 1065595490 /nfs/dbraw/zinc/59/54/90/1065595490.db2.gz SICSLPIMKRBKHU-YLJYHZDGSA-N 1 1 476.572 2.787 20 0 JFADMO C[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001292920950 1065606566 /nfs/dbraw/zinc/60/65/66/1065606566.db2.gz SNHGVOUBBXCWDW-QGZVFWFLSA-N 1 1 454.537 2.506 20 0 JFADMO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292934163 1065624068 /nfs/dbraw/zinc/62/40/68/1065624068.db2.gz LFXNSINSMLCXHK-XMMPIXPASA-N 1 1 458.626 2.957 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1(OC)CCCCC1 ZINC001292952036 1065632754 /nfs/dbraw/zinc/63/27/54/1065632754.db2.gz OVXVMWRAZSQVMX-UHFFFAOYSA-N 1 1 460.667 2.960 20 0 JFADMO CC[NH+]1CCN(CCCCNC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC001292957245 1065634601 /nfs/dbraw/zinc/63/46/01/1065634601.db2.gz CFCFVAYETISGGT-HXUWFJFHSA-N 1 1 453.425 2.550 20 0 JFADMO Cc1nn(CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959054 1065637155 /nfs/dbraw/zinc/63/71/55/1065637155.db2.gz QJHIOKSNJDJCBZ-HNNXBMFYSA-N 1 1 454.541 2.882 20 0 JFADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC001292959319 1065637811 /nfs/dbraw/zinc/63/78/11/1065637811.db2.gz UQSQQORJLQLYTJ-HXUWFJFHSA-N 1 1 458.628 2.515 20 0 JFADMO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001292971122 1065652454 /nfs/dbraw/zinc/65/24/54/1065652454.db2.gz QLIBHTOHFQGVOF-IBGZPJMESA-N 1 1 454.685 2.745 20 0 JFADMO CC[N@@H+](CCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C ZINC001292978113 1065658372 /nfs/dbraw/zinc/65/83/72/1065658372.db2.gz PCYXMBMXVMWPNU-UHFFFAOYSA-N 1 1 451.567 2.829 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001292985079 1065668736 /nfs/dbraw/zinc/66/87/36/1065668736.db2.gz DTQAASYGWCJHSV-JOCHJYFZSA-N 1 1 458.603 2.580 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001292985079 1065668743 /nfs/dbraw/zinc/66/87/43/1065668743.db2.gz DTQAASYGWCJHSV-JOCHJYFZSA-N 1 1 458.603 2.580 20 0 JFADMO CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292986651 1065672389 /nfs/dbraw/zinc/67/23/89/1065672389.db2.gz NJKGYDACUSFHNO-YADARESESA-N 1 1 450.624 2.617 20 0 JFADMO CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292986651 1065672398 /nfs/dbraw/zinc/67/23/98/1065672398.db2.gz NJKGYDACUSFHNO-YADARESESA-N 1 1 450.624 2.617 20 0 JFADMO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292991081 1065677645 /nfs/dbraw/zinc/67/76/45/1065677645.db2.gz GXCYSMXJIHEVQX-GOSISDBHSA-N 1 1 455.607 2.503 20 0 JFADMO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292991480 1065678482 /nfs/dbraw/zinc/67/84/82/1065678482.db2.gz MSFKYEVACUDUQF-SFHVURJKSA-N 1 1 464.014 2.689 20 0 JFADMO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001292993647 1065681371 /nfs/dbraw/zinc/68/13/71/1065681371.db2.gz FZTJVGLELJCVPW-SFTDATJTSA-N 1 1 462.683 2.810 20 0 JFADMO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292995919 1065684195 /nfs/dbraw/zinc/68/41/95/1065684195.db2.gz YDQOGWIRFIINQE-FPOVZHCZSA-N 1 1 454.619 2.612 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001293059942 1065715033 /nfs/dbraw/zinc/71/50/33/1065715033.db2.gz JAVJCKZGUCZXPV-OAQYLSRUSA-N 1 1 468.646 2.804 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001293059942 1065715047 /nfs/dbraw/zinc/71/50/47/1065715047.db2.gz JAVJCKZGUCZXPV-OAQYLSRUSA-N 1 1 468.646 2.804 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001293059941 1065715161 /nfs/dbraw/zinc/71/51/61/1065715161.db2.gz JAVJCKZGUCZXPV-NRFANRHFSA-N 1 1 468.646 2.804 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001293059941 1065715177 /nfs/dbraw/zinc/71/51/77/1065715177.db2.gz JAVJCKZGUCZXPV-NRFANRHFSA-N 1 1 468.646 2.804 20 0 JFADMO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293066383 1065717627 /nfs/dbraw/zinc/71/76/27/1065717627.db2.gz JRXIQMABDDZNIK-UHFFFAOYSA-N 1 1 460.574 2.991 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001293068113 1065720020 /nfs/dbraw/zinc/72/00/20/1065720020.db2.gz DBGAKWYUASNRTI-UHFFFAOYSA-N 1 1 483.661 2.986 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccnc(OC2CCCC2)c1 ZINC001293068113 1065720032 /nfs/dbraw/zinc/72/00/32/1065720032.db2.gz DBGAKWYUASNRTI-UHFFFAOYSA-N 1 1 483.661 2.986 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001293068919 1065722284 /nfs/dbraw/zinc/72/22/84/1065722284.db2.gz MGGHBHHCGITZQZ-UHFFFAOYSA-N 1 1 467.540 2.683 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001293068919 1065722293 /nfs/dbraw/zinc/72/22/93/1065722293.db2.gz MGGHBHHCGITZQZ-UHFFFAOYSA-N 1 1 467.540 2.683 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293072643 1065724877 /nfs/dbraw/zinc/72/48/77/1065724877.db2.gz QQAUTAJRRPKPAA-UHFFFAOYSA-N 1 1 485.946 2.740 20 0 JFADMO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293087793 1065737363 /nfs/dbraw/zinc/73/73/63/1065737363.db2.gz ZLSCQOMEDKRIQP-JOCHJYFZSA-N 1 1 473.710 2.733 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293093739 1065742677 /nfs/dbraw/zinc/74/26/77/1065742677.db2.gz IXLNUMQSLRGZNJ-UNMCSNQZSA-N 1 1 456.635 2.579 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293096516 1065746782 /nfs/dbraw/zinc/74/67/82/1065746782.db2.gz UAEJGJXUXOULSY-AZUAARDMSA-N 1 1 462.589 2.849 20 0 JFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)CC1 ZINC001293111658 1065757875 /nfs/dbraw/zinc/75/78/75/1065757875.db2.gz NYFJPTSXHKGRRR-UHFFFAOYSA-N 1 1 458.603 2.831 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293115957 1065762033 /nfs/dbraw/zinc/76/20/33/1065762033.db2.gz IHQBRHNNZNGNTA-XPWALMASSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001293116288 1065763149 /nfs/dbraw/zinc/76/31/49/1065763149.db2.gz KQOGDYOYDXVPJN-GPJHCHHRSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293118894 1065766311 /nfs/dbraw/zinc/76/63/11/1065766311.db2.gz FYKKGNZVMFEZBE-DNVJHFABSA-N 1 1 473.710 2.732 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293118899 1065766348 /nfs/dbraw/zinc/76/63/48/1065766348.db2.gz FYKKGNZVMFEZBE-ZLNRFVROSA-N 1 1 473.710 2.732 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293120328 1065769783 /nfs/dbraw/zinc/76/97/83/1065769783.db2.gz QPEILJPNDFKPCU-QHCPKHFHSA-N 1 1 473.710 2.877 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@H+](C)[C@@H](C)CC ZINC001293121948 1065774509 /nfs/dbraw/zinc/77/45/09/1065774509.db2.gz ZYXISUJNSQAWKT-FQEVSTJZSA-N 1 1 455.651 2.948 20 0 JFADMO CCc1nnc(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293127589 1065778590 /nfs/dbraw/zinc/77/85/90/1065778590.db2.gz MKMRJLUAUBHMLO-XMMPIXPASA-N 1 1 486.661 2.537 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129968 1065780379 /nfs/dbraw/zinc/78/03/79/1065780379.db2.gz CROFBXMZBZEPBH-NBGIEHNGSA-N 1 1 491.080 2.633 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130527 1065781779 /nfs/dbraw/zinc/78/17/79/1065781779.db2.gz HVUFDGQTPUQYEI-ZDXQCDESSA-N 1 1 476.710 2.913 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(I)cc1 ZINC001293131082 1065782764 /nfs/dbraw/zinc/78/27/64/1065782764.db2.gz PAWOQRBGABPZHZ-SFHVURJKSA-N 1 1 481.382 2.794 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131341 1065783449 /nfs/dbraw/zinc/78/34/49/1065783449.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131341 1065783462 /nfs/dbraw/zinc/78/34/62/1065783462.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001293131557 1065783588 /nfs/dbraw/zinc/78/35/88/1065783588.db2.gz OUVHJXNXJBFMGU-ZLNRFVROSA-N 1 1 462.683 2.667 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132050 1065784465 /nfs/dbraw/zinc/78/44/65/1065784465.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 1 1 483.705 2.572 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132050 1065784475 /nfs/dbraw/zinc/78/44/75/1065784475.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 1 1 483.705 2.572 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132688 1065785080 /nfs/dbraw/zinc/78/50/80/1065785080.db2.gz YNGSWHJNXUGVGO-PMACEKPBSA-N 1 1 454.610 2.897 20 0 JFADMO O=C(c1ccc(S(=O)(=O)C2CCC2)cc1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137981 1065788354 /nfs/dbraw/zinc/78/83/54/1065788354.db2.gz SZFMSXIZQIPGCZ-UHFFFAOYSA-N 1 1 457.596 2.773 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293139740 1065790565 /nfs/dbraw/zinc/79/05/65/1065790565.db2.gz URQIHPPKJWHTTL-UHFFFAOYSA-N 1 1 474.675 2.924 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293190681 1065817739 /nfs/dbraw/zinc/81/77/39/1065817739.db2.gz YQPQVTKEPWQYPB-RTWAWAEBSA-N 1 1 488.681 2.662 20 0 JFADMO CCc1noc(C)c1Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001293199322 1065827273 /nfs/dbraw/zinc/82/72/73/1065827273.db2.gz HZZGBAWHHUOZCB-UHFFFAOYSA-N 1 1 467.618 2.966 20 0 JFADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214188 1065847163 /nfs/dbraw/zinc/84/71/63/1065847163.db2.gz FALLMMDWHCPLDD-FXAWDEMLSA-N 1 1 458.603 2.503 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293214578 1065848209 /nfs/dbraw/zinc/84/82/09/1065848209.db2.gz ABMLLMORUNVGFE-LAUBAEHRSA-N 1 1 467.618 2.594 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CCn1cc[nH+]c1C ZINC001293216070 1065853893 /nfs/dbraw/zinc/85/38/93/1065853893.db2.gz AAKVRVWCWAPAJA-KRWDZBQOSA-N 1 1 458.364 2.628 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293216769 1065855832 /nfs/dbraw/zinc/85/58/32/1065855832.db2.gz DFHFSLDOLWBLAB-SFHVURJKSA-N 1 1 491.434 2.533 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001293216769 1065855851 /nfs/dbraw/zinc/85/58/51/1065855851.db2.gz DFHFSLDOLWBLAB-SFHVURJKSA-N 1 1 491.434 2.533 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293218958 1065864522 /nfs/dbraw/zinc/86/45/22/1065864522.db2.gz SQJHTKVDFICQBD-GHTZIAJQSA-N 1 1 454.619 2.678 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293219199 1065865054 /nfs/dbraw/zinc/86/50/54/1065865054.db2.gz UZCIVPPTMGWJAB-GHTZIAJQSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293219523 1065866626 /nfs/dbraw/zinc/86/66/26/1065866626.db2.gz QWQPSUWFBDTYLF-RBUKOAKNSA-N 1 1 497.003 2.597 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293219520 1065866676 /nfs/dbraw/zinc/86/66/76/1065866676.db2.gz QWQPSUWFBDTYLF-OALUTQOASA-N 1 1 497.003 2.597 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293220124 1065869274 /nfs/dbraw/zinc/86/92/74/1065869274.db2.gz QUQLHMFGJSUKJD-WIYYLYMNSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001293220976 1065873592 /nfs/dbraw/zinc/87/35/92/1065873592.db2.gz VYOYWCSWQZONLS-ROUUACIJSA-N 1 1 461.408 2.907 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001293226529 1065878688 /nfs/dbraw/zinc/87/86/88/1065878688.db2.gz AUPJHMJVRIWZFB-PMACEKPBSA-N 1 1 470.618 2.940 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293228236 1065882256 /nfs/dbraw/zinc/88/22/56/1065882256.db2.gz MBPRERKGZJFAQS-NFBKMPQASA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@H+]1CCC[C@@H]1C ZINC001293248404 1065914422 /nfs/dbraw/zinc/91/44/22/1065914422.db2.gz ZZRNONPQYBRCCC-ZWKOTPCHSA-N 1 1 458.632 2.778 20 0 JFADMO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293250075 1065915274 /nfs/dbraw/zinc/91/52/74/1065915274.db2.gz FTGHBTREXHLSGL-PMACEKPBSA-N 1 1 454.623 2.578 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293253094 1065917661 /nfs/dbraw/zinc/91/76/61/1065917661.db2.gz UNFUDWPNGFKVGU-ZXNZYJFHSA-N 1 1 491.036 2.673 20 0 JFADMO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293254543 1065918452 /nfs/dbraw/zinc/91/84/52/1065918452.db2.gz ZCGDQCUDSNIEND-OALUTQOASA-N 1 1 454.623 2.576 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293272887 1065929489 /nfs/dbraw/zinc/92/94/89/1065929489.db2.gz NIOSNGZXZRQBAS-CEWLAPEOSA-N 1 1 482.695 2.500 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC001293325842 1065950268 /nfs/dbraw/zinc/95/02/68/1065950268.db2.gz ZSWJYSXQUVTGKV-NRFANRHFSA-N 1 1 456.612 2.747 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)[nH+]1 ZINC001293340263 1065956079 /nfs/dbraw/zinc/95/60/79/1065956079.db2.gz BQUDHYHHDBWZHK-HOTGVXAUSA-N 1 1 451.980 2.598 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001293358956 1065963521 /nfs/dbraw/zinc/96/35/21/1065963521.db2.gz JWYJIUPMECGOIJ-SFHVURJKSA-N 1 1 480.617 2.966 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001293358955 1065963564 /nfs/dbraw/zinc/96/35/64/1065963564.db2.gz JWYJIUPMECGOIJ-GOSISDBHSA-N 1 1 480.617 2.966 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001293359143 1065963879 /nfs/dbraw/zinc/96/38/79/1065963879.db2.gz LNVKOLYTCINGRA-RPWUZVMVSA-N 1 1 497.688 2.536 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293360745 1065964639 /nfs/dbraw/zinc/96/46/39/1065964639.db2.gz SUAXIWOHWSNNLY-OAQYLSRUSA-N 1 1 496.660 2.885 20 0 JFADMO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361410 1065965579 /nfs/dbraw/zinc/96/55/79/1065965579.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361410 1065965593 /nfs/dbraw/zinc/96/55/93/1065965593.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 ZINC001293361660 1065965652 /nfs/dbraw/zinc/96/56/52/1065965652.db2.gz AYSOAGNHNSJCAT-INIZCTEOSA-N 1 1 464.412 2.627 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293362526 1065965881 /nfs/dbraw/zinc/96/58/81/1065965881.db2.gz DRXTWSNKXMMLMT-PMACEKPBSA-N 1 1 478.663 2.877 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)n(C[C@H]4CCCOC4)c3C)CC2)CC1 ZINC001293362985 1065966661 /nfs/dbraw/zinc/96/66/61/1065966661.db2.gz QDEYQYZETKPPBP-HSZRJFAPSA-N 1 1 458.647 2.938 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293363787 1065967515 /nfs/dbraw/zinc/96/75/15/1065967515.db2.gz AFQWMNDJVDANCS-MDNUFGMLSA-N 1 1 483.661 2.972 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001293364186 1065968332 /nfs/dbraw/zinc/96/83/32/1065968332.db2.gz DFPHUGDWTXDZAL-ROUUACIJSA-N 1 1 456.591 2.538 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001293364185 1065968440 /nfs/dbraw/zinc/96/84/40/1065968440.db2.gz DFPHUGDWTXDZAL-QZTJIDSGSA-N 1 1 456.591 2.538 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O ZINC001293364439 1065969336 /nfs/dbraw/zinc/96/93/36/1065969336.db2.gz NOXKZIMHFLSXDG-LJQANCHMSA-N 1 1 469.055 2.848 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001293364433 1065969494 /nfs/dbraw/zinc/96/94/94/1065969494.db2.gz NNDHQBMRBHWVBB-GBESFXJTSA-N 1 1 464.636 2.740 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365113 1065969625 /nfs/dbraw/zinc/96/96/25/1065969625.db2.gz JVGOVYZPXOAGFE-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293365712 1065970849 /nfs/dbraw/zinc/97/08/49/1065970849.db2.gz VZAZNLRFFZENNW-IRXDYDNUSA-N 1 1 499.479 2.924 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O ZINC001293365988 1065971330 /nfs/dbraw/zinc/97/13/30/1065971330.db2.gz RBYIUGUOXYZUJE-KRWDZBQOSA-N 1 1 455.028 2.739 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001293366624 1065972113 /nfs/dbraw/zinc/97/21/13/1065972113.db2.gz XAQPKOCMHAKSFU-QHAWAJNXSA-N 1 1 471.650 2.905 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001293369251 1065972515 /nfs/dbraw/zinc/97/25/15/1065972515.db2.gz CJDMFJNKBSETIJ-FGTMMUONSA-N 1 1 472.556 2.551 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001293371009 1065973953 /nfs/dbraw/zinc/97/39/53/1065973953.db2.gz DSUMSYRTZGTLDU-UXHICEINSA-N 1 1 480.704 2.912 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001293373421 1065977496 /nfs/dbraw/zinc/97/74/96/1065977496.db2.gz PZLULYLXQBKZSH-AZUAARDMSA-N 1 1 452.669 2.528 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373736 1065978333 /nfs/dbraw/zinc/97/83/33/1065978333.db2.gz RFBUDIHRMRHSRS-UNMCSNQZSA-N 1 1 475.659 2.787 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293373847 1065978937 /nfs/dbraw/zinc/97/89/37/1065978937.db2.gz SIBBFTPZKNTQHY-HXUWFJFHSA-N 1 1 489.665 2.722 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001293374135 1065979759 /nfs/dbraw/zinc/97/97/59/1065979759.db2.gz UGBISLAQJICUPS-BDTNDASRSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374508 1065979825 /nfs/dbraw/zinc/97/98/25/1065979825.db2.gz VSFLUWHHCXMQMX-BHDDXSALSA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293374612 1065980169 /nfs/dbraw/zinc/98/01/69/1065980169.db2.gz YMGXSUCHJOUSHQ-FCHUYYIVSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293374617 1065980670 /nfs/dbraw/zinc/98/06/70/1065980670.db2.gz YMGXSUCHJOUSHQ-VXKWHMMOSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293374893 1065980878 /nfs/dbraw/zinc/98/08/78/1065980878.db2.gz YNUFCDPAXOEUFF-HBMCJLEFSA-N 1 1 482.695 2.550 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@@H](C)C1 ZINC001293377339 1065981903 /nfs/dbraw/zinc/98/19/03/1065981903.db2.gz SVDPFKWMSVEHKS-WMZOPIPTSA-N 1 1 459.591 2.507 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293379861 1065984511 /nfs/dbraw/zinc/98/45/11/1065984511.db2.gz VBFLACCMIASPMA-BKMJKUGQSA-N 1 1 490.693 2.936 20 0 JFADMO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001293386246 1065987242 /nfs/dbraw/zinc/98/72/42/1065987242.db2.gz LOYGWGHBXCGIRF-GMAHTHKFSA-N 1 1 450.583 2.883 20 0 JFADMO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001293386246 1065987250 /nfs/dbraw/zinc/98/72/50/1065987250.db2.gz LOYGWGHBXCGIRF-GMAHTHKFSA-N 1 1 450.583 2.883 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001293398631 1065992192 /nfs/dbraw/zinc/99/21/92/1065992192.db2.gz DBWPGKMNTIFZKV-HKBOAZHASA-N 1 1 482.695 2.502 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001293398632 1065992240 /nfs/dbraw/zinc/99/22/40/1065992240.db2.gz DBWPGKMNTIFZKV-NJDAHSKKSA-N 1 1 482.695 2.502 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407935 1065997373 /nfs/dbraw/zinc/99/73/73/1065997373.db2.gz PVCMXVGHSHDGKB-ILZDJORESA-N 1 1 452.521 2.733 20 0 JFADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001293420341 1066001873 /nfs/dbraw/zinc/00/18/73/1066001873.db2.gz RSGCKLBHOBKIGE-KGLIPLIRSA-N 1 1 458.422 2.779 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3sccc3S(=O)(=O)N(C)C)CC2)cs1 ZINC001293448311 1066010052 /nfs/dbraw/zinc/01/00/52/1066010052.db2.gz JTZFUUWTJLAQFP-UHFFFAOYSA-N 1 1 456.659 2.659 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC[N@H+]1CCOC ZINC001293505556 1066029116 /nfs/dbraw/zinc/02/91/16/1066029116.db2.gz HCSCKEYXQOXZIR-HKUYNNGSSA-N 1 1 475.663 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC[N@H+]1CCOC ZINC001293506146 1066029758 /nfs/dbraw/zinc/02/97/58/1066029758.db2.gz BDKLMKBOERZXEQ-RTBURBONSA-N 1 1 464.680 2.593 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC[N@H+]1CCOC ZINC001293506701 1066030840 /nfs/dbraw/zinc/03/08/40/1066030840.db2.gz FVHQRXZGVTUOPP-LEWJYISDSA-N 1 1 476.666 2.845 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001293507718 1066031763 /nfs/dbraw/zinc/03/17/63/1066031763.db2.gz CDUVFZJEZRREFS-LJQANCHMSA-N 1 1 467.549 2.660 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293509631 1066034307 /nfs/dbraw/zinc/03/43/07/1066034307.db2.gz NAHROZYFCWJPRM-XJUOHMSHSA-N 1 1 484.645 2.739 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)ccc2OC)CC[N@H+]1CCOC ZINC001293509770 1066034324 /nfs/dbraw/zinc/03/43/24/1066034324.db2.gz ORXVIQZJCKHJMN-JOCHJYFZSA-N 1 1 484.645 2.621 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)ccc2OC)CC[N@H+]1CCOC ZINC001293509772 1066034449 /nfs/dbraw/zinc/03/44/49/1066034449.db2.gz ORXVIQZJCKHJMN-QFIPXVFZSA-N 1 1 484.645 2.621 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293511409 1066037797 /nfs/dbraw/zinc/03/77/97/1066037797.db2.gz WJFHAMDSQTVPQZ-NNMXDRDESA-N 1 1 472.609 2.906 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC2Cc3ccccc3C2)CC[N@H+]1CCOC ZINC001293512043 1066038546 /nfs/dbraw/zinc/03/85/46/1066038546.db2.gz ZDJGARYUCWRCPO-HSZRJFAPSA-N 1 1 468.646 2.768 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001293522997 1066044319 /nfs/dbraw/zinc/04/43/19/1066044319.db2.gz HJNRVRJTSRXAKQ-HKUYNNGSSA-N 1 1 489.024 2.795 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293524072 1066045206 /nfs/dbraw/zinc/04/52/06/1066045206.db2.gz KRVIPQRSEXHCOS-MFSJNOQSSA-N 1 1 493.649 2.972 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001293530697 1066050153 /nfs/dbraw/zinc/05/01/53/1066050153.db2.gz HBXCXTWVQAGYGF-IBGZPJMESA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001293531081 1066051038 /nfs/dbraw/zinc/05/10/38/1066051038.db2.gz KENUBWZSNZPEFQ-DENIHFKCSA-N 1 1 471.593 2.911 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC[N@H+]1CCOC ZINC001293540081 1066058281 /nfs/dbraw/zinc/05/82/81/1066058281.db2.gz LEYSJZYSYITLQD-FQEVSTJZSA-N 1 1 477.009 2.988 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H]2C)C[C@@H](C)O1 ZINC001293540973 1066060449 /nfs/dbraw/zinc/06/04/49/1066060449.db2.gz RVBWWYQPWPBQRM-QWFCFKBJSA-N 1 1 461.632 2.837 20 0 JFADMO C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543252 1066063196 /nfs/dbraw/zinc/06/31/96/1066063196.db2.gz XPVGPTRKZOTOJK-KZNAEPCWSA-N 1 1 457.040 2.905 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001293549244 1066065403 /nfs/dbraw/zinc/06/54/03/1066065403.db2.gz IXYHVXVACUMUQG-HXUWFJFHSA-N 1 1 453.591 2.903 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](CC)C1 ZINC001293555112 1066068883 /nfs/dbraw/zinc/06/88/83/1066068883.db2.gz IRYQISWKEFWGCC-PXNSSMCTSA-N 1 1 455.636 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CC2)CC[N@H+]1CCOC ZINC001293555864 1066069657 /nfs/dbraw/zinc/06/96/57/1066069657.db2.gz MBPUUFMQNNZHRK-QGZVFWFLSA-N 1 1 494.434 2.788 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001293556005 1066069799 /nfs/dbraw/zinc/06/97/99/1066069799.db2.gz ZJHDVUWWFRNLSF-HSALFYBXSA-N 1 1 494.036 2.694 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293556347 1066070655 /nfs/dbraw/zinc/07/06/55/1066070655.db2.gz HUXDUSADYFKKRP-WAUFSOIDSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293556347 1066070667 /nfs/dbraw/zinc/07/06/67/1066070667.db2.gz HUXDUSADYFKKRP-WAUFSOIDSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293556942 1066071116 /nfs/dbraw/zinc/07/11/16/1066071116.db2.gz KQWOOQZSVFGFPJ-SQJMNOBHSA-N 1 1 488.702 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293558773 1066072381 /nfs/dbraw/zinc/07/23/81/1066072381.db2.gz SFQKCSQJBBHVEO-CTNGQTDRSA-N 1 1 473.618 2.934 20 0 JFADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 ZINC001293564978 1066077269 /nfs/dbraw/zinc/07/72/69/1066077269.db2.gz FWHOZEPPGOYXHY-UHFFFAOYSA-N 1 1 450.509 2.873 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293566127 1066078356 /nfs/dbraw/zinc/07/83/56/1066078356.db2.gz CHRJVIFQOUWUQO-QUCCMNQESA-N 1 1 496.578 2.995 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293566436 1066079609 /nfs/dbraw/zinc/07/96/09/1066079609.db2.gz FGVIAVCSOVMOFD-QZTJIDSGSA-N 1 1 465.545 2.925 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001293569379 1066081766 /nfs/dbraw/zinc/08/17/66/1066081766.db2.gz WYAPIUGIKXXJNO-SFHVURJKSA-N 1 1 489.422 2.546 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)cc2OC)CC[N@H+]1CCOC ZINC001293571786 1066083691 /nfs/dbraw/zinc/08/36/91/1066083691.db2.gz OGWCEBQMAQGKHS-IBGZPJMESA-N 1 1 454.575 2.886 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN(C)CC(F)(F)F)CC[N@H+]1CCOC ZINC001293577095 1066087460 /nfs/dbraw/zinc/08/74/60/1066087460.db2.gz DCVOKBMMONIRIQ-SFHVURJKSA-N 1 1 469.556 2.690 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293577579 1066088056 /nfs/dbraw/zinc/08/80/56/1066088056.db2.gz FVDIXOMDLFSEFT-KYTVRQNUSA-N 1 1 499.660 2.845 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001293577787 1066088375 /nfs/dbraw/zinc/08/83/75/1066088375.db2.gz XZBDJECOQJDQOE-QFBILLFUSA-N 1 1 454.579 2.691 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001293582051 1066091022 /nfs/dbraw/zinc/09/10/22/1066091022.db2.gz HPYABESLYJZTAR-PKOBYXMFSA-N 1 1 498.525 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC[N@H+]1CCOC ZINC001293582216 1066091383 /nfs/dbraw/zinc/09/13/83/1066091383.db2.gz IECXLOKFCAKJPF-CTNGQTDRSA-N 1 1 462.639 2.516 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC[N@H+]1CCOC ZINC001293582191 1066091562 /nfs/dbraw/zinc/09/15/62/1066091562.db2.gz HWLVHZOJXCGJPI-NHCUHLMSSA-N 1 1 470.618 2.612 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CCN1CCOC ZINC001293584161 1066093657 /nfs/dbraw/zinc/09/36/57/1066093657.db2.gz TZXIVVBATKOLFT-HXUWFJFHSA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293592120 1066098280 /nfs/dbraw/zinc/09/82/80/1066098280.db2.gz AZUMYQSKKJICQB-KURKYZTESA-N 1 1 493.546 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293594252 1066101012 /nfs/dbraw/zinc/10/10/12/1066101012.db2.gz JDMMXXAUEJEQSC-MOPGFXCFSA-N 1 1 463.652 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293594904 1066103117 /nfs/dbraw/zinc/10/31/17/1066103117.db2.gz MFLXFOQGXXMFBQ-LEWJYISDSA-N 1 1 492.665 2.586 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293595220 1066103618 /nfs/dbraw/zinc/10/36/18/1066103618.db2.gz NSWAQLZRIHUANU-DNVFCKCGSA-N 1 1 463.648 2.688 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001293596858 1066108506 /nfs/dbraw/zinc/10/85/06/1066108506.db2.gz SEJDKOCFXBEWDJ-FGZHOGPDSA-N 1 1 457.619 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001293600743 1066117585 /nfs/dbraw/zinc/11/75/85/1066117585.db2.gz SJWGTXBLCNPEPQ-MLBCHFTJSA-N 1 1 481.707 2.942 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC[N@H+]1CCOC ZINC001293601642 1066118129 /nfs/dbraw/zinc/11/81/29/1066118129.db2.gz UWWDSEKVBRLVRS-LJQANCHMSA-N 1 1 494.681 2.707 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Cl)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293602848 1066118909 /nfs/dbraw/zinc/11/89/09/1066118909.db2.gz PFVYELOYMXEQPA-IEBWSBKVSA-N 1 1 450.031 2.964 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1[NH+]1CCOCC1 ZINC001293607195 1066122738 /nfs/dbraw/zinc/12/27/38/1066122738.db2.gz IGCLNDZHQNINIE-ZWKOTPCHSA-N 1 1 496.582 2.945 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@H]1[NH+]1CCOCC1 ZINC001293608559 1066124203 /nfs/dbraw/zinc/12/42/03/1066124203.db2.gz MYSNMGJQLGGWMU-XMSQKQJNSA-N 1 1 463.573 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293609699 1066125276 /nfs/dbraw/zinc/12/52/76/1066125276.db2.gz AEILMGOEEYMJBI-REWPJTCUSA-N 1 1 458.626 2.897 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001293611832 1066127451 /nfs/dbraw/zinc/12/74/51/1066127451.db2.gz INXUTYINDKSKHW-SQJMNOBHSA-N 1 1 456.635 2.752 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2scnc2C)CC[N@H+]1CCOC ZINC001293612291 1066128489 /nfs/dbraw/zinc/12/84/89/1066128489.db2.gz LRJHHUSKBOIMDP-HXUWFJFHSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001293616266 1066131981 /nfs/dbraw/zinc/13/19/81/1066131981.db2.gz GFICXVOHBLWJTL-XMMPIXPASA-N 1 1 477.613 2.818 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293616856 1066133807 /nfs/dbraw/zinc/13/38/07/1066133807.db2.gz PDCQPKZXILNUNK-HYBUGGRVSA-N 1 1 470.643 2.780 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001293624793 1066140060 /nfs/dbraw/zinc/14/00/60/1066140060.db2.gz ZMNGZZPTQTWLMC-OAQYLSRUSA-N 1 1 461.680 2.523 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293624120 1066140121 /nfs/dbraw/zinc/14/01/21/1066140121.db2.gz VCNHIZYLQKGIDR-XUZZJYLKSA-N 1 1 464.724 2.995 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293625331 1066140557 /nfs/dbraw/zinc/14/05/57/1066140557.db2.gz DRGRVLRXZIGFDO-GOTSBHOMSA-N 1 1 460.667 2.816 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(N(C)C)c2)CC[N@H+]1CCOC ZINC001293635823 1066152436 /nfs/dbraw/zinc/15/24/36/1066152436.db2.gz PXFUNZUSKIJQEK-HSZRJFAPSA-N 1 1 480.661 2.801 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001293636740 1066154629 /nfs/dbraw/zinc/15/46/29/1066154629.db2.gz WDKMDOVZUXPUIN-OAQYLSRUSA-N 1 1 485.608 2.883 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293640837 1066157292 /nfs/dbraw/zinc/15/72/92/1066157292.db2.gz UQTVMRQKSNTLRY-OFVILXPXSA-N 1 1 473.618 2.518 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC(F)(F)F)CC[N@H+]1CCOC ZINC001293643344 1066158430 /nfs/dbraw/zinc/15/84/30/1066158430.db2.gz CMSHIUQUVCSANW-MRXNPFEDSA-N 1 1 457.497 2.975 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293643619 1066158912 /nfs/dbraw/zinc/15/89/12/1066158912.db2.gz GADVAFZYDAUNCH-PMACEKPBSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293644374 1066159563 /nfs/dbraw/zinc/15/95/63/1066159563.db2.gz MBAZRONDILTIFU-CTNGQTDRSA-N 1 1 472.659 2.514 20 0 JFADMO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293644380 1066159602 /nfs/dbraw/zinc/15/96/02/1066159602.db2.gz MBAZRONDILTIFU-TZIWHRDSSA-N 1 1 472.659 2.514 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001293645079 1066160569 /nfs/dbraw/zinc/16/05/69/1066160569.db2.gz RTJAZVBHXRSYGP-FQEVSTJZSA-N 1 1 471.581 2.633 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001293645677 1066161210 /nfs/dbraw/zinc/16/12/10/1066161210.db2.gz XNFOZKOJNWLIGK-CTNGQTDRSA-N 1 1 488.608 2.554 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293647905 1066162425 /nfs/dbraw/zinc/16/24/25/1066162425.db2.gz OEKLMYVBQJYDOX-GMAHTHKFSA-N 1 1 484.645 2.581 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293647942 1066162789 /nfs/dbraw/zinc/16/27/89/1066162789.db2.gz OMBHAWCGFXGYLC-OFVILXPXSA-N 1 1 489.686 2.889 20 0 JFADMO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)ccc2Cl)C[C@H](C)O1 ZINC001293652582 1066164666 /nfs/dbraw/zinc/16/46/66/1066164666.db2.gz ZNTABHRRKPFJKV-BBWFWOEESA-N 1 1 458.024 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001293652697 1066164994 /nfs/dbraw/zinc/16/49/94/1066164994.db2.gz JZGULNBBWQQBQX-HSALFYBXSA-N 1 1 460.623 2.926 20 0 JFADMO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)ccc2Cl)C[C@@H](C)O1 ZINC001293652583 1066165013 /nfs/dbraw/zinc/16/50/13/1066165013.db2.gz ZNTABHRRKPFJKV-BRWVUGGUSA-N 1 1 458.024 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293653788 1066166389 /nfs/dbraw/zinc/16/63/89/1066166389.db2.gz QKCQXSRITYAZHP-NHCUHLMSSA-N 1 1 456.591 2.705 20 0 JFADMO CC/C=C/Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001293664841 1066169475 /nfs/dbraw/zinc/16/94/75/1066169475.db2.gz IKFRLYFSYJKQOY-VMPITWQZSA-N 1 1 466.634 2.886 20 0 JFADMO CC/C=C/Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[NH+](CCOCC)CC1 ZINC001293694625 1066176093 /nfs/dbraw/zinc/17/60/93/1066176093.db2.gz NHIOZPFTNJJGDH-JXMROGBWSA-N 1 1 465.602 2.800 20 0 JFADMO CC/C=C/Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001293701603 1066176915 /nfs/dbraw/zinc/17/69/15/1066176915.db2.gz CMTKZNOVZYCXII-AATRIKPKSA-N 1 1 468.650 2.965 20 0 JFADMO CC/C=C\Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001293701604 1066176924 /nfs/dbraw/zinc/17/69/24/1066176924.db2.gz CMTKZNOVZYCXII-WAYWQWQTSA-N 1 1 468.650 2.965 20 0 JFADMO CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293712440 1066180179 /nfs/dbraw/zinc/18/01/79/1066180179.db2.gz RBPLQUWBAWRZNE-WKOQKXSESA-N 1 1 452.603 2.587 20 0 JFADMO CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293717378 1066180871 /nfs/dbraw/zinc/18/08/71/1066180871.db2.gz JNSCRERMVXDZHH-NFOSPISASA-N 1 1 466.630 2.781 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001293736091 1066194976 /nfs/dbraw/zinc/19/49/76/1066194976.db2.gz KIGVYYTWUUMNCS-AUSIDOKSSA-N 1 1 481.645 2.616 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001293740923 1066204844 /nfs/dbraw/zinc/20/48/44/1066204844.db2.gz BSYTYBFWJGYAJC-LJQANCHMSA-N 1 1 458.582 2.692 20 0 JFADMO COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC001293746404 1066216565 /nfs/dbraw/zinc/21/65/65/1066216565.db2.gz ZNVSBIWMDKUGSZ-KRWDZBQOSA-N 1 1 459.568 2.760 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001293754510 1066230065 /nfs/dbraw/zinc/23/00/65/1066230065.db2.gz BEIYHISLFRUMER-QFIPXVFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001293754510 1066230084 /nfs/dbraw/zinc/23/00/84/1066230084.db2.gz BEIYHISLFRUMER-QFIPXVFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001293754510 1066230104 /nfs/dbraw/zinc/23/01/04/1066230104.db2.gz BEIYHISLFRUMER-QFIPXVFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001293764201 1066251943 /nfs/dbraw/zinc/25/19/43/1066251943.db2.gz ZKDKLCZGBKSPFA-UHFFFAOYSA-N 1 1 495.672 2.899 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293782513 1066279566 /nfs/dbraw/zinc/27/95/66/1066279566.db2.gz ZKOJOHCBWYTQAL-OAQYLSRUSA-N 1 1 487.693 2.769 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293784087 1066281890 /nfs/dbraw/zinc/28/18/90/1066281890.db2.gz HSHPVPPMAFZRMG-MOPGFXCFSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293784087 1066281900 /nfs/dbraw/zinc/28/19/00/1066281900.db2.gz HSHPVPPMAFZRMG-MOPGFXCFSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293785259 1066284466 /nfs/dbraw/zinc/28/44/66/1066284466.db2.gz MMXGROMBVLVSOU-OSPHWJPCSA-N 1 1 493.027 2.937 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293787715 1066293162 /nfs/dbraw/zinc/29/31/62/1066293162.db2.gz WGSWRKSEFFDDHY-IBGZPJMESA-N 1 1 456.639 2.686 20 0 JFADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@H+]1C ZINC001293806270 1066315679 /nfs/dbraw/zinc/31/56/79/1066315679.db2.gz JUWBZIPNRCFOLS-YOEHRIQHSA-N 1 1 457.556 2.624 20 0 JFADMO CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293824951 1066333271 /nfs/dbraw/zinc/33/32/71/1066333271.db2.gz YJBIMMKSICNDQS-DFBJGRDBSA-N 1 1 476.616 2.914 20 0 JFADMO CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293824952 1066333809 /nfs/dbraw/zinc/33/38/09/1066333809.db2.gz YJBIMMKSICNDQS-KBMIEXCESA-N 1 1 476.616 2.914 20 0 JFADMO CCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001293833985 1066338416 /nfs/dbraw/zinc/33/84/16/1066338416.db2.gz GMDZTJMGCGPAJB-HHHXNRCGSA-N 1 1 482.673 2.749 20 0 JFADMO CCC[C@@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001293833985 1066338435 /nfs/dbraw/zinc/33/84/35/1066338435.db2.gz GMDZTJMGCGPAJB-HHHXNRCGSA-N 1 1 482.673 2.749 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001293834392 1066338655 /nfs/dbraw/zinc/33/86/55/1066338655.db2.gz HWBLKAWMHPDCHA-KJWPAHLWSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293840347 1066343902 /nfs/dbraw/zinc/34/39/02/1066343902.db2.gz YWLZAZYHMIUTJU-HSZRJFAPSA-N 1 1 457.648 2.927 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001293856973 1066364182 /nfs/dbraw/zinc/36/41/82/1066364182.db2.gz OZSFQGMZLCZGGP-RTWAWAEBSA-N 1 1 478.645 2.942 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001293856971 1066364339 /nfs/dbraw/zinc/36/43/39/1066364339.db2.gz OZSFQGMZLCZGGP-LEWJYISDSA-N 1 1 478.645 2.942 20 0 JFADMO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001293881797 1066387963 /nfs/dbraw/zinc/38/79/63/1066387963.db2.gz VMJKBNLRWHWKEE-JOCHJYFZSA-N 1 1 450.942 2.723 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001293890219 1066392076 /nfs/dbraw/zinc/39/20/76/1066392076.db2.gz XSFAEIDJYBOSDR-BURNTYAHSA-N 1 1 484.711 2.604 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293908741 1066397088 /nfs/dbraw/zinc/39/70/88/1066397088.db2.gz CPVMAHPAYSIWMA-GOSISDBHSA-N 1 1 467.618 2.928 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293908741 1066397102 /nfs/dbraw/zinc/39/71/02/1066397102.db2.gz CPVMAHPAYSIWMA-GOSISDBHSA-N 1 1 467.618 2.928 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001293924337 1066404917 /nfs/dbraw/zinc/40/49/17/1066404917.db2.gz PETZQASPWMLKBZ-SLFFLAALSA-N 1 1 484.711 2.746 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001293930571 1066408962 /nfs/dbraw/zinc/40/89/62/1066408962.db2.gz CTFXRFYFLALXSC-HBMCJLEFSA-N 1 1 475.682 2.812 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001293933794 1066413449 /nfs/dbraw/zinc/41/34/49/1066413449.db2.gz TWTQKHCXYMFUKO-ACRUOGEOSA-N 1 1 473.666 2.520 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCOCC2)C1 ZINC001293935841 1066417705 /nfs/dbraw/zinc/41/77/05/1066417705.db2.gz GIZQVFMHFSRSDL-RBBKRZOGSA-N 1 1 469.634 2.584 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967952 1066467331 /nfs/dbraw/zinc/46/73/31/1066467331.db2.gz YWOYXEJMUWSHID-XYJFISCASA-N 1 1 452.393 2.665 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001293998157 1066500471 /nfs/dbraw/zinc/50/04/71/1066500471.db2.gz VAIGNPKTOWJJFM-GOSISDBHSA-N 1 1 495.466 2.898 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001293998157 1066500482 /nfs/dbraw/zinc/50/04/82/1066500482.db2.gz VAIGNPKTOWJJFM-GOSISDBHSA-N 1 1 495.466 2.898 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001294003082 1066502159 /nfs/dbraw/zinc/50/21/59/1066502159.db2.gz DVFXEFZEWBDZSI-LJQANCHMSA-N 1 1 457.623 2.756 20 0 JFADMO CCCC(O)(CCC)Cn1c(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001294012971 1066508451 /nfs/dbraw/zinc/50/84/51/1066508451.db2.gz QKSRYZZJCNXRTK-CTNGQTDRSA-N 1 1 462.683 2.896 20 0 JFADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC001294016171 1066510395 /nfs/dbraw/zinc/51/03/95/1066510395.db2.gz NXYRRLHMISOSDF-SFHVURJKSA-N 1 1 452.669 2.923 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001294054644 1066526785 /nfs/dbraw/zinc/52/67/85/1066526785.db2.gz LFYPSMZSXNDBPQ-AVRDEDQJSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC[N@H+]1CCOC ZINC001294054802 1066527604 /nfs/dbraw/zinc/52/76/04/1066527604.db2.gz OHAPAOKFHWFZNM-IBGZPJMESA-N 1 1 460.623 2.973 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001294055325 1066528913 /nfs/dbraw/zinc/52/89/13/1066528913.db2.gz USWLRDWDRPQFJX-OAQYLSRUSA-N 1 1 470.618 2.508 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC[N@H+]1CCOC ZINC001294056183 1066530415 /nfs/dbraw/zinc/53/04/15/1066530415.db2.gz ZWNITBLQMCVYSS-OAQYLSRUSA-N 1 1 470.618 2.508 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294058583 1066531246 /nfs/dbraw/zinc/53/12/46/1066531246.db2.gz SCWOPYQNHYTEHM-VSKRKVRLSA-N 1 1 496.722 2.543 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294058584 1066531275 /nfs/dbraw/zinc/53/12/75/1066531275.db2.gz SCWOPYQNHYTEHM-YPAWHYETSA-N 1 1 496.722 2.543 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001294064022 1066534550 /nfs/dbraw/zinc/53/45/50/1066534550.db2.gz FOJYPYXJUWNJEB-OAQYLSRUSA-N 1 1 451.489 2.874 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)cc2)CC1 ZINC001294064319 1066534979 /nfs/dbraw/zinc/53/49/79/1066534979.db2.gz JVVHOOQAVNNINQ-UHFFFAOYSA-N 1 1 453.518 2.573 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294065381 1066535375 /nfs/dbraw/zinc/53/53/75/1066535375.db2.gz CCVPWLZBBHHYMV-FQEVSTJZSA-N 1 1 459.591 2.690 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294065676 1066536523 /nfs/dbraw/zinc/53/65/23/1066536523.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 1 1 456.635 2.603 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294066832 1066536684 /nfs/dbraw/zinc/53/66/84/1066536684.db2.gz FFRMPNHIQLALKG-PXDATVDWSA-N 1 1 473.618 2.696 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2n[nH]c(C)n2)CC[N@H+]1CCOC ZINC001294072246 1066541190 /nfs/dbraw/zinc/54/11/90/1066541190.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nc(C)n[nH]2)CC[N@@H+]1CCOC ZINC001294072246 1066541206 /nfs/dbraw/zinc/54/12/06/1066541206.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nc(C)n[nH]2)CC[N@H+]1CCOC ZINC001294072246 1066541211 /nfs/dbraw/zinc/54/12/11/1066541211.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294074580 1066543580 /nfs/dbraw/zinc/54/35/80/1066543580.db2.gz TZDFAYXOLVONJK-CYFREDJKSA-N 1 1 461.582 2.827 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CC[N@H+]1CCOC ZINC001294075509 1066544618 /nfs/dbraw/zinc/54/46/18/1066544618.db2.gz AFRTUXWLQOTQPB-NRFANRHFSA-N 1 1 459.639 2.823 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC[N@H+]1CCOC ZINC001294076110 1066545088 /nfs/dbraw/zinc/54/50/88/1066545088.db2.gz FPSGDPSQLHOYBY-SFHVURJKSA-N 1 1 463.652 2.585 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC[N@H+]1CCOC ZINC001294076295 1066545127 /nfs/dbraw/zinc/54/51/27/1066545127.db2.gz HLZQSBHAHIPJGR-JOCHJYFZSA-N 1 1 494.644 2.871 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001294077885 1066547385 /nfs/dbraw/zinc/54/73/85/1066547385.db2.gz TYQRNSJPIILTTC-DVECYGJZSA-N 1 1 457.623 2.613 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294077877 1066547533 /nfs/dbraw/zinc/54/75/33/1066547533.db2.gz SZYHRQLURPAIKV-OAQYLSRUSA-N 1 1 451.575 2.729 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@H+]1CCOC ZINC001294078607 1066548375 /nfs/dbraw/zinc/54/83/75/1066548375.db2.gz BKCZSBXOLXZFKD-SFTDATJTSA-N 1 1 471.650 2.619 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294080188 1066548779 /nfs/dbraw/zinc/54/87/79/1066548779.db2.gz COKZGOSHHSHSRN-IEBWSBKVSA-N 1 1 458.573 2.977 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001294082980 1066552393 /nfs/dbraw/zinc/55/23/93/1066552393.db2.gz UJKMTNSUXJNHKD-YYDVJCTNSA-N 1 1 463.648 2.688 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294084150 1066553596 /nfs/dbraw/zinc/55/35/96/1066553596.db2.gz ZACUMUHIYILXBP-YADHBBJMSA-N 1 1 472.634 2.687 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001294084753 1066554016 /nfs/dbraw/zinc/55/40/16/1066554016.db2.gz AMUATIWNKHOHGC-KSEOMHKRSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001294084753 1066554029 /nfs/dbraw/zinc/55/40/29/1066554029.db2.gz AMUATIWNKHOHGC-KSEOMHKRSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC[N@H+]1CCOC ZINC001294087839 1066559960 /nfs/dbraw/zinc/55/99/60/1066559960.db2.gz XYNBOVXTOJMORS-NBGIEHNGSA-N 1 1 460.667 2.815 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001294091309 1066562176 /nfs/dbraw/zinc/56/21/76/1066562176.db2.gz NMHLQPGVZGKOMF-FQEVSTJZSA-N 1 1 457.596 2.899 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294092216 1066562983 /nfs/dbraw/zinc/56/29/83/1066562983.db2.gz UVZDTXUJGGLALM-HOYKHHGWSA-N 1 1 495.640 2.952 20 0 JFADMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc(N)c2cc1OC ZINC000028397287 563063881 /nfs/dbraw/zinc/06/38/81/563063881.db2.gz KHNMIPNYNHCWGS-UHFFFAOYSA-N 1 1 479.562 2.893 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164423051 718944447 /nfs/dbraw/zinc/94/44/47/718944447.db2.gz DAPFWTLWYYVKMW-VNZMSGEBSA-N 1 1 463.626 2.956 20 0 JFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001164430395 718956206 /nfs/dbraw/zinc/95/62/06/718956206.db2.gz UDOCOQWAPRACHB-NLFFAJNJSA-N 1 1 485.032 2.838 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccncc4)nc4sccc43)CC2)C1=O ZINC001164644717 719283265 /nfs/dbraw/zinc/28/32/65/719283265.db2.gz RUJCSEREBONIJE-UHFFFAOYSA-N 1 1 452.584 2.513 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccncc4)nc4sccc43)CC2)C1=O ZINC001164644717 719283270 /nfs/dbraw/zinc/28/32/70/719283270.db2.gz RUJCSEREBONIJE-UHFFFAOYSA-N 1 1 452.584 2.513 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)n2)CC1 ZINC001164654107 719323075 /nfs/dbraw/zinc/32/30/75/719323075.db2.gz ONVSQRFYCDCYSU-SANMLTNESA-N 1 1 490.633 2.539 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cn4)C3)C2)cc[nH+]1 ZINC001164665994 719356516 /nfs/dbraw/zinc/35/65/16/719356516.db2.gz ZQJFRNBSWDJDBV-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@H](F)Oc4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663857 719356790 /nfs/dbraw/zinc/35/67/90/719356790.db2.gz HUNAVHRUEXVRIX-FPOVZHCZSA-N 1 1 450.946 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664092 719356862 /nfs/dbraw/zinc/35/68/62/719356862.db2.gz KJALHYGDWOPGOV-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663058 719357273 /nfs/dbraw/zinc/35/72/73/719357273.db2.gz BZSNJDXEKUIWBK-FQEVSTJZSA-N 1 1 467.952 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)C2)cc[nH+]1 ZINC001164662833 719357803 /nfs/dbraw/zinc/35/78/03/719357803.db2.gz ABCKBJPSKYSBGT-HXUWFJFHSA-N 1 1 467.952 2.842 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164690294 719737022 /nfs/dbraw/zinc/73/70/22/719737022.db2.gz YUMCPTASZBGDRP-UHFFFAOYSA-N 1 1 450.921 2.918 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691236 719811957 /nfs/dbraw/zinc/81/19/57/719811957.db2.gz BLEJWNUDDZLBSR-UHFFFAOYSA-N 1 1 486.642 2.890 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164703963 719818363 /nfs/dbraw/zinc/81/83/63/719818363.db2.gz WNGDBDFIYNKKAJ-CAVYSCNFSA-N 1 1 498.631 2.773 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2O1 ZINC001164703963 719818364 /nfs/dbraw/zinc/81/83/64/719818364.db2.gz WNGDBDFIYNKKAJ-CAVYSCNFSA-N 1 1 498.631 2.773 20 0 JFADMO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)C1 ZINC001164695796 719829001 /nfs/dbraw/zinc/82/90/01/719829001.db2.gz FQOQFBHYXHNZRM-IBGZPJMESA-N 1 1 497.669 2.890 20 0 JFADMO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164697412 719834818 /nfs/dbraw/zinc/83/48/18/719834818.db2.gz XTGDXPGBEHHHMR-QFIPXVFZSA-N 1 1 482.592 2.879 20 0 JFADMO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164697412 719834820 /nfs/dbraw/zinc/83/48/20/719834820.db2.gz XTGDXPGBEHHHMR-QFIPXVFZSA-N 1 1 482.592 2.879 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1 ZINC001164699905 719865954 /nfs/dbraw/zinc/86/59/54/719865954.db2.gz CVJVLBPMSIVYLH-HJPURHCSSA-N 1 1 476.961 2.693 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697059 719894551 /nfs/dbraw/zinc/89/45/51/719894551.db2.gz JBAZOLPAIOBTKQ-UHFFFAOYSA-N 1 1 491.017 2.976 20 0 JFADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698303 719897151 /nfs/dbraw/zinc/89/71/51/719897151.db2.gz RERIYBDSOYRUFT-UHFFFAOYSA-N 1 1 493.001 2.860 20 0 JFADMO O=C([C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164707529 719913640 /nfs/dbraw/zinc/91/36/40/719913640.db2.gz SRDZWWZNOSPOPX-WXFUMESZSA-N 1 1 462.594 2.893 20 0 JFADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164713138 720053450 /nfs/dbraw/zinc/05/34/50/720053450.db2.gz MPBZNCCUDACOGN-BSIFCXSSSA-N 1 1 456.978 2.535 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)nc1 ZINC001164714632 720056408 /nfs/dbraw/zinc/05/64/08/720056408.db2.gz QONVPZVIIPJFLL-BQUSRXHISA-N 1 1 450.587 2.832 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810353 720086641 /nfs/dbraw/zinc/08/66/41/720086641.db2.gz LDRLYLXQZUBLSH-DYESRHJHSA-N 1 1 471.980 2.696 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164719470 720124146 /nfs/dbraw/zinc/12/41/46/720124146.db2.gz XMCHXHJVJKFBNL-HNNXBMFYSA-N 1 1 465.385 2.785 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164716981 720125108 /nfs/dbraw/zinc/12/51/08/720125108.db2.gz MTFQQXCCIYENFS-LJQANCHMSA-N 1 1 462.554 2.714 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164714248 720127098 /nfs/dbraw/zinc/12/70/98/720127098.db2.gz BEKWNBQFLWTTHD-QHCPKHFHSA-N 1 1 494.640 2.769 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812564 720129224 /nfs/dbraw/zinc/12/92/24/720129224.db2.gz PHVJDLONOMEZJJ-IERDGZPVSA-N 1 1 456.418 2.805 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164713100 720150457 /nfs/dbraw/zinc/15/04/57/720150457.db2.gz QVOMSVDZLXYISC-OAQYLSRUSA-N 1 1 454.644 2.932 20 0 JFADMO COC(=O)c1cc2c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)[nH]c(Cl)cc-2n1 ZINC001164814555 720231101 /nfs/dbraw/zinc/23/11/01/720231101.db2.gz YFAQTSXQKPJYNH-UHFFFAOYSA-N 1 1 458.950 2.810 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812968 720237373 /nfs/dbraw/zinc/23/73/73/720237373.db2.gz LGUMYSKQGDQZPD-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164723785 720287184 /nfs/dbraw/zinc/28/71/84/720287184.db2.gz YAZMEEBHYZLUIV-SANMLTNESA-N 1 1 492.649 2.907 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164723785 720287190 /nfs/dbraw/zinc/28/71/90/720287190.db2.gz YAZMEEBHYZLUIV-SANMLTNESA-N 1 1 492.649 2.907 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C2)C1 ZINC001164722367 720298793 /nfs/dbraw/zinc/29/87/93/720298793.db2.gz QGNBRCUYJGBAQP-QHCPKHFHSA-N 1 1 468.583 2.525 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C2)C1 ZINC001164722367 720298803 /nfs/dbraw/zinc/29/88/03/720298803.db2.gz QGNBRCUYJGBAQP-QHCPKHFHSA-N 1 1 468.583 2.525 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164725520 720303867 /nfs/dbraw/zinc/30/38/67/720303867.db2.gz WOFMHNZNUHZMDH-NRFANRHFSA-N 1 1 453.921 2.886 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164725520 720303877 /nfs/dbraw/zinc/30/38/77/720303877.db2.gz WOFMHNZNUHZMDH-NRFANRHFSA-N 1 1 453.921 2.886 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC[C@@H]21 ZINC001164834697 720538561 /nfs/dbraw/zinc/53/85/61/720538561.db2.gz FTMDJJYBMFTYEW-NMMYMHLASA-N 1 1 459.598 2.937 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164841456 720538811 /nfs/dbraw/zinc/53/88/11/720538811.db2.gz VYJHNMWTOQPJPY-LLGFUMIMSA-N 1 1 452.559 2.932 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834692 720539554 /nfs/dbraw/zinc/53/95/54/720539554.db2.gz FTMDJJYBMFTYEW-JXALWOEJSA-N 1 1 459.598 2.937 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839606 720562176 /nfs/dbraw/zinc/56/21/76/720562176.db2.gz QVBBOAWGARICHB-KZNAEPCWSA-N 1 1 487.008 2.617 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164836342 720562856 /nfs/dbraw/zinc/56/28/56/720562856.db2.gz JPMXXGMUZZSMBD-HDMKZQKVSA-N 1 1 457.966 2.972 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840701 720585513 /nfs/dbraw/zinc/58/55/13/720585513.db2.gz QIQSBFWXSWAFSA-RVKKMQEKSA-N 1 1 488.992 2.502 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840640 720600561 /nfs/dbraw/zinc/60/05/61/720600561.db2.gz QCSFIQUIQSVCPS-BHIFYINESA-N 1 1 465.650 2.646 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164835615 720612524 /nfs/dbraw/zinc/61/25/24/720612524.db2.gz BUSBROXTYNPOGP-FUPPJEDESA-N 1 1 474.675 2.980 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837312 720623139 /nfs/dbraw/zinc/62/31/39/720623139.db2.gz IAAHQQGDUSZXAM-BHIFYINESA-N 1 1 472.659 2.831 20 0 JFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745087 720647887 /nfs/dbraw/zinc/64/78/87/720647887.db2.gz UIEONOFOVKDLGE-VQTJNVASSA-N 1 1 464.957 2.797 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164836938 720649046 /nfs/dbraw/zinc/64/90/46/720649046.db2.gz AHXJWRHQFXXRPY-WRHDZBKDSA-N 1 1 452.603 2.719 20 0 JFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744278 720675397 /nfs/dbraw/zinc/67/53/97/720675397.db2.gz YYZPPRWDERYKIA-HZPDHXFCSA-N 1 1 452.540 2.514 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743881 720688274 /nfs/dbraw/zinc/68/82/74/720688274.db2.gz YNUUADSMEHUSIY-LSDHHAIUSA-N 1 1 454.918 2.592 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838387 720709346 /nfs/dbraw/zinc/70/93/46/720709346.db2.gz ITWKHUSEWJKFLY-DUTUXMCTSA-N 1 1 472.611 2.651 20 0 JFADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737221 720727666 /nfs/dbraw/zinc/72/76/66/720727666.db2.gz BBSNCCMSHJCLOD-LSDHHAIUSA-N 1 1 488.976 2.998 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745918 720776316 /nfs/dbraw/zinc/77/63/16/720776316.db2.gz WNIDOEYIXMFLJP-LSDHHAIUSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745918 720776328 /nfs/dbraw/zinc/77/63/28/720776328.db2.gz WNIDOEYIXMFLJP-LSDHHAIUSA-N 1 1 459.888 2.869 20 0 JFADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740807 720814377 /nfs/dbraw/zinc/81/43/77/720814377.db2.gz AJEPVDSLXWIVJE-VDKIKQQVSA-N 1 1 471.609 2.983 20 0 JFADMO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164847542 720816038 /nfs/dbraw/zinc/81/60/38/720816038.db2.gz AOPBQYZKRBEFTD-FUFSCUOVSA-N 1 1 483.616 2.847 20 0 JFADMO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164847542 720816039 /nfs/dbraw/zinc/81/60/39/720816039.db2.gz AOPBQYZKRBEFTD-FUFSCUOVSA-N 1 1 483.616 2.847 20 0 JFADMO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164743823 720816816 /nfs/dbraw/zinc/81/68/16/720816816.db2.gz SPOVNURXPBOZOC-GUDVDZBRSA-N 1 1 454.579 2.795 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747417 720833956 /nfs/dbraw/zinc/83/39/56/720833956.db2.gz QMAIMEYFWYQTCM-RCCFBDPRSA-N 1 1 493.443 2.591 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164747859 720835972 /nfs/dbraw/zinc/83/59/72/720835972.db2.gz RUTDQPAHUUCWIV-TUNNFDKTSA-N 1 1 494.669 2.807 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(Cl)cc-2n1 ZINC001164744733 720839864 /nfs/dbraw/zinc/83/98/64/720839864.db2.gz LNGUDOORFIBQEM-JXXFODFXSA-N 1 1 469.977 2.974 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748270 720840224 /nfs/dbraw/zinc/84/02/24/720840224.db2.gz SVCNVCYXIOFRPN-KAGYGMCKSA-N 1 1 467.618 2.529 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164852547 720840410 /nfs/dbraw/zinc/84/04/10/720840410.db2.gz KRVLPYKJYDQFGW-NZQKXSOJSA-N 1 1 472.033 2.862 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744718 720840622 /nfs/dbraw/zinc/84/06/22/720840622.db2.gz LHSYEOAJOJOKBC-WOIUINJBSA-N 1 1 495.628 2.824 20 0 JFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741215 720841785 /nfs/dbraw/zinc/84/17/85/720841785.db2.gz DUCLNVFEOASIEP-QLFBSQMISA-N 1 1 455.966 2.935 20 0 JFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)no1 ZINC001164740598 720845901 /nfs/dbraw/zinc/84/59/01/720845901.db2.gz DCEOQNFAEGODEU-IRFCIJBXSA-N 1 1 462.558 2.601 20 0 JFADMO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752019 720854310 /nfs/dbraw/zinc/85/43/10/720854310.db2.gz SMDFLNRQPGDJKA-RRFJBIMHSA-N 1 1 460.373 2.698 20 0 JFADMO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164752824 720860340 /nfs/dbraw/zinc/86/03/40/720860340.db2.gz UTBAROSXCFOTFE-OWCLPIDISA-N 1 1 453.925 2.654 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860142 720867521 /nfs/dbraw/zinc/86/75/21/720867521.db2.gz VMBGLHZPOMOSTJ-PXNSSMCTSA-N 1 1 464.607 2.531 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860144 720867831 /nfs/dbraw/zinc/86/78/31/720867831.db2.gz VMBGLHZPOMOSTJ-XLIONFOSSA-N 1 1 464.607 2.531 20 0 JFADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755734 720868211 /nfs/dbraw/zinc/86/82/11/720868211.db2.gz YJLAIRNQNCEQHL-XXBNENTESA-N 1 1 492.045 2.684 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750044 720869799 /nfs/dbraw/zinc/86/97/99/720869799.db2.gz INQTVEAZCNLTFB-CJFMBICVSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750044 720869800 /nfs/dbraw/zinc/86/98/00/720869800.db2.gz INQTVEAZCNLTFB-CJFMBICVSA-N 1 1 469.033 2.926 20 0 JFADMO NC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164755728 720873897 /nfs/dbraw/zinc/87/38/97/720873897.db2.gz YIXIOZPTHBSUJV-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755755 720873903 /nfs/dbraw/zinc/87/39/03/720873903.db2.gz YSDVVJYMIPLOQN-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164755462 720874940 /nfs/dbraw/zinc/87/49/40/720874940.db2.gz XHYYAMSWQUUPFT-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749930 720881546 /nfs/dbraw/zinc/88/15/46/720881546.db2.gz IEDIFCCWXFJMEZ-CJFMBICVSA-N 1 1 498.653 2.920 20 0 JFADMO COCC[N@@H+]1CCO[C@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164865036 720881788 /nfs/dbraw/zinc/88/17/88/720881788.db2.gz XZZWMEZEXINVFP-IERDGZPVSA-N 1 1 499.008 2.848 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164865036 720881790 /nfs/dbraw/zinc/88/17/90/720881790.db2.gz XZZWMEZEXINVFP-IERDGZPVSA-N 1 1 499.008 2.848 20 0 JFADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1N ZINC001164755222 720882340 /nfs/dbraw/zinc/88/23/40/720882340.db2.gz VDHDQZOLAQFKDC-NLFFAJNJSA-N 1 1 451.571 2.601 20 0 JFADMO COCC[N@@H+]1CCO[C@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164865040 720882915 /nfs/dbraw/zinc/88/29/15/720882915.db2.gz XZZWMEZEXINVFP-KKSFZXQISA-N 1 1 499.008 2.848 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164865040 720882916 /nfs/dbraw/zinc/88/29/16/720882916.db2.gz XZZWMEZEXINVFP-KKSFZXQISA-N 1 1 499.008 2.848 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756267 720883688 /nfs/dbraw/zinc/88/36/88/720883688.db2.gz OYUFWUGCHSXGOY-CJFMBICVSA-N 1 1 486.016 2.996 20 0 JFADMO NS(=O)(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164758800 720885645 /nfs/dbraw/zinc/88/56/45/720885645.db2.gz ZNYSAIUEXGSCDF-WMZHIEFXSA-N 1 1 492.045 2.533 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752838 720886268 /nfs/dbraw/zinc/88/62/68/720886268.db2.gz GBVAJPDDMMDGEF-HFZDXXHNSA-N 1 1 481.597 2.812 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164757854 720887008 /nfs/dbraw/zinc/88/70/08/720887008.db2.gz VWBZVTRTZVEKCH-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755409 720895386 /nfs/dbraw/zinc/89/53/86/720895386.db2.gz LXIDHIMVEDTMQT-IBVKSMDESA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755409 720895388 /nfs/dbraw/zinc/89/53/88/720895388.db2.gz LXIDHIMVEDTMQT-IBVKSMDESA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755409 720895391 /nfs/dbraw/zinc/89/53/91/720895391.db2.gz LXIDHIMVEDTMQT-IBVKSMDESA-N 1 1 476.581 2.895 20 0 JFADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)c1ccno1 ZINC001164853447 720907669 /nfs/dbraw/zinc/90/76/69/720907669.db2.gz AOMVQEUOQMHUTD-HWBMXIPRSA-N 1 1 473.577 2.899 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164750914 720910700 /nfs/dbraw/zinc/91/07/00/720910700.db2.gz LCGSNURLSBXPAR-JYFHCDHNSA-N 1 1 499.681 2.918 20 0 JFADMO NC(=S)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164754247 720926991 /nfs/dbraw/zinc/92/69/91/720926991.db2.gz VHXHGYIFPCZYCM-HYBUGGRVSA-N 1 1 452.628 2.887 20 0 JFADMO COCc1nc(OC)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748590 720935129 /nfs/dbraw/zinc/93/51/29/720935129.db2.gz HEFMEIRXMQYNMP-OFVILXPXSA-N 1 1 453.587 2.782 20 0 JFADMO CNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754678 720935859 /nfs/dbraw/zinc/93/58/59/720935859.db2.gz XGNHKMWOQACPJX-DVECYGJZSA-N 1 1 471.005 2.640 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859045 720975608 /nfs/dbraw/zinc/97/56/08/720975608.db2.gz KRBQSHVIQNJLAX-AWEZNQCLSA-N 1 1 460.970 2.661 20 0 JFADMO c1cnn(Cc2c[nH+]c3n2CCN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)CC3)c1 ZINC001164861418 721034051 /nfs/dbraw/zinc/03/40/51/721034051.db2.gz HHOKJPILFDIGPU-UHFFFAOYSA-N 1 1 490.637 2.516 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164868147 721066341 /nfs/dbraw/zinc/06/63/41/721066341.db2.gz NDMQUQUCQVRMRE-CVEARBPZSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866200 721076988 /nfs/dbraw/zinc/07/69/88/721076988.db2.gz SAECLJROTKXAHD-HZPDHXFCSA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164770428 721079264 /nfs/dbraw/zinc/07/92/64/721079264.db2.gz PZXJEDPFLMCFEH-GJZGRUSLSA-N 1 1 454.909 2.543 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164770436 721079412 /nfs/dbraw/zinc/07/94/12/721079412.db2.gz PZXJEDPFLMCFEH-LSDHHAIUSA-N 1 1 454.909 2.543 20 0 JFADMO c1ccc(CN2CCc3c(ncnc3N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079544 /nfs/dbraw/zinc/07/95/44/721079544.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 1 1 456.594 2.910 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864862 721092254 /nfs/dbraw/zinc/09/22/54/721092254.db2.gz GXIRSNNKXDTWDR-ZWKOTPCHSA-N 1 1 453.930 2.945 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865194 721098563 /nfs/dbraw/zinc/09/85/63/721098563.db2.gz JLVWZGNYNOALMA-HUUCEWRRSA-N 1 1 452.342 2.835 20 0 JFADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164865373 721106694 /nfs/dbraw/zinc/10/66/94/721106694.db2.gz KLTUOJGNCIRVCI-XZOQPEGZSA-N 1 1 472.597 2.799 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867648 721117845 /nfs/dbraw/zinc/11/78/45/721117845.db2.gz ZFZUSRBQQXUHRI-VXKWHMMOSA-N 1 1 460.582 2.890 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771001 721132125 /nfs/dbraw/zinc/13/21/25/721132125.db2.gz RZRONSRMPXVCFV-CABCVRRESA-N 1 1 450.996 2.720 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164877606 721134640 /nfs/dbraw/zinc/13/46/40/721134640.db2.gz OZVLRNYSIBYBDA-FGZHOGPDSA-N 1 1 490.589 2.543 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)CC1 ZINC001164880936 721157908 /nfs/dbraw/zinc/15/79/08/721157908.db2.gz XWUSEELUHWDTOH-GOTSBHOMSA-N 1 1 489.599 2.817 20 0 JFADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879839 721159052 /nfs/dbraw/zinc/15/90/52/721159052.db2.gz UKAHNEXBQLFQAK-QINHECLXSA-N 1 1 457.884 2.810 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164877615 721159584 /nfs/dbraw/zinc/15/95/84/721159584.db2.gz PBDVOYYHTKENBO-IRXDYDNUSA-N 1 1 471.974 2.714 20 0 JFADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879840 721159754 /nfs/dbraw/zinc/15/97/54/721159754.db2.gz UKAHNEXBQLFQAK-YRNRMSPPSA-N 1 1 457.884 2.810 20 0 JFADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164875322 721172172 /nfs/dbraw/zinc/17/21/72/721172172.db2.gz KUBDBZBLSFLAAM-RPBOFIJWSA-N 1 1 472.593 2.855 20 0 JFADMO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164762479 721173476 /nfs/dbraw/zinc/17/34/76/721173476.db2.gz CGWZMOKJSMJFBS-UZUFYEDSSA-N 1 1 480.613 2.944 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164774391 721199781 /nfs/dbraw/zinc/19/97/81/721199781.db2.gz YUPUYLHKWYNIKO-VQTJNVASSA-N 1 1 493.681 2.704 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164773395 721211547 /nfs/dbraw/zinc/21/15/47/721211547.db2.gz WYKGXPNLFISIFE-FGZHOGPDSA-N 1 1 476.604 2.634 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)C1 ZINC001164868961 721264444 /nfs/dbraw/zinc/26/44/44/721264444.db2.gz HEYVYZXKOIOPAL-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC2)C1 ZINC001164869866 721270157 /nfs/dbraw/zinc/27/01/57/721270157.db2.gz RBOSGHTUXIDPOF-UHFFFAOYSA-N 1 1 467.948 2.835 20 0 JFADMO Cc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@H+](CC(=O)N(C)C)C4)n1)CCCC3 ZINC001164873297 721284179 /nfs/dbraw/zinc/28/41/79/721284179.db2.gz KSHYQZSHSPPIKT-UHFFFAOYSA-N 1 1 457.644 2.886 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc(Cl)c2c1 ZINC001164874873 721287027 /nfs/dbraw/zinc/28/70/27/721287027.db2.gz DLDNEGFUGQBDIY-UHFFFAOYSA-N 1 1 497.974 2.844 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)C1 ZINC001164877668 721287276 /nfs/dbraw/zinc/28/72/76/721287276.db2.gz NTPGOCBVJHZJLD-UHFFFAOYSA-N 1 1 494.974 2.744 20 0 JFADMO Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(-c2ccc(Cl)nc2)n1 ZINC001164877932 721290223 /nfs/dbraw/zinc/29/02/23/721290223.db2.gz QFVFOIUMZINKJJ-UHFFFAOYSA-N 1 1 458.994 2.507 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c(Cl)ccc4c(Cl)ncnc43)CC2)C1 ZINC001164874891 721292486 /nfs/dbraw/zinc/29/24/86/721292486.db2.gz DTEBVUYOLUVMEY-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO COc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164874889 721292881 /nfs/dbraw/zinc/29/28/81/721292881.db2.gz DPUCOBPNERDKIV-UHFFFAOYSA-N 1 1 490.004 2.938 20 0 JFADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1=O ZINC001164768773 721296219 /nfs/dbraw/zinc/29/62/19/721296219.db2.gz GHYWDLUCBWVKHW-QHCPKHFHSA-N 1 1 463.001 2.939 20 0 JFADMO O=C(NCc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2OCC[C@H]21 ZINC001164874186 721303057 /nfs/dbraw/zinc/30/30/57/721303057.db2.gz BIPUDDTUKLWSIW-PWRODBHTSA-N 1 1 455.990 2.884 20 0 JFADMO O=C(COC[C@]12COC[C@@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCCC1 ZINC001164875380 721334490 /nfs/dbraw/zinc/33/44/90/721334490.db2.gz KRNUWQNZBSRKQO-CUBQBAPOSA-N 1 1 476.621 2.732 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(CN4CCOCC4)cn3)C2)C1 ZINC001164776061 721335843 /nfs/dbraw/zinc/33/58/43/721335843.db2.gz CGCFJIOYACFPAL-RUZDIDTESA-N 1 1 455.603 2.638 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776459 721347913 /nfs/dbraw/zinc/34/79/13/721347913.db2.gz BRWCWAGIDMDGKJ-QHCPKHFHSA-N 1 1 477.993 2.959 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776459 721347918 /nfs/dbraw/zinc/34/79/18/721347918.db2.gz BRWCWAGIDMDGKJ-QHCPKHFHSA-N 1 1 477.993 2.959 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782976 721359644 /nfs/dbraw/zinc/35/96/44/721359644.db2.gz OMXCLCHLBNMWAU-SANMLTNESA-N 1 1 498.628 2.590 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782976 721359649 /nfs/dbraw/zinc/35/96/49/721359649.db2.gz OMXCLCHLBNMWAU-SANMLTNESA-N 1 1 498.628 2.590 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CCC(c4nc5ccc(N6CCOCC6)cn5n4)CC3)c2)CC1 ZINC001164885150 721361990 /nfs/dbraw/zinc/36/19/90/721361990.db2.gz XAHVOKDQRXRBIC-UHFFFAOYSA-N 1 1 477.613 2.818 20 0 JFADMO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782988 721362125 /nfs/dbraw/zinc/36/21/25/721362125.db2.gz OQRHEPHCDVLXRH-XMMPIXPASA-N 1 1 457.575 2.747 20 0 JFADMO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782988 721362129 /nfs/dbraw/zinc/36/21/29/721362129.db2.gz OQRHEPHCDVLXRH-XMMPIXPASA-N 1 1 457.575 2.747 20 0 JFADMO COc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(N2CCCCCC2)n1 ZINC001164787799 721364949 /nfs/dbraw/zinc/36/49/49/721364949.db2.gz ZVYDYGJRCPVTAM-VWLOTQADSA-N 1 1 485.633 2.984 20 0 JFADMO COc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(N2CCCCCC2)n1 ZINC001164787799 721364953 /nfs/dbraw/zinc/36/49/53/721364953.db2.gz ZVYDYGJRCPVTAM-VWLOTQADSA-N 1 1 485.633 2.984 20 0 JFADMO COc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(N2CCCCCC2)n1 ZINC001164787786 721365502 /nfs/dbraw/zinc/36/55/02/721365502.db2.gz ZVYDYGJRCPVTAM-RUZDIDTESA-N 1 1 485.633 2.984 20 0 JFADMO COc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(N2CCCCCC2)n1 ZINC001164787786 721365505 /nfs/dbraw/zinc/36/55/05/721365505.db2.gz ZVYDYGJRCPVTAM-RUZDIDTESA-N 1 1 485.633 2.984 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164786024 721366267 /nfs/dbraw/zinc/36/62/67/721366267.db2.gz UMQCWYLMCWHAOV-XMMPIXPASA-N 1 1 491.658 2.836 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164786024 721366270 /nfs/dbraw/zinc/36/62/70/721366270.db2.gz UMQCWYLMCWHAOV-XMMPIXPASA-N 1 1 491.658 2.836 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164781467 721373838 /nfs/dbraw/zinc/37/38/38/721373838.db2.gz JUHJGSCYBHIZPC-XMMPIXPASA-N 1 1 458.559 2.609 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164781467 721373842 /nfs/dbraw/zinc/37/38/42/721373842.db2.gz JUHJGSCYBHIZPC-XMMPIXPASA-N 1 1 458.559 2.609 20 0 JFADMO CS(=O)(=O)N1CCCC[C@@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164885472 721375418 /nfs/dbraw/zinc/37/54/18/721375418.db2.gz IIBKIAOEYIFOLJ-DEOSSOPVSA-N 1 1 455.628 2.819 20 0 JFADMO CS(=O)(=O)N1CCCC[C@@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164885472 721375423 /nfs/dbraw/zinc/37/54/23/721375423.db2.gz IIBKIAOEYIFOLJ-DEOSSOPVSA-N 1 1 455.628 2.819 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786952 721377027 /nfs/dbraw/zinc/37/70/27/721377027.db2.gz VOLOIMJTIFJZJL-IBVKSMDESA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786952 721377029 /nfs/dbraw/zinc/37/70/29/721377029.db2.gz VOLOIMJTIFJZJL-IBVKSMDESA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886361 721381922 /nfs/dbraw/zinc/38/19/22/721381922.db2.gz FLLTXLURETUMLC-DCFHFQCYSA-N 1 1 492.624 2.825 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164885639 721383889 /nfs/dbraw/zinc/38/38/89/721383889.db2.gz CWBQDOQEQYNVQZ-KKSFZXQISA-N 1 1 487.979 2.617 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885727 721391895 /nfs/dbraw/zinc/39/18/95/721391895.db2.gz DHBXIGNJQAJFQA-OXQOHEQNSA-N 1 1 458.985 2.506 20 0 JFADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164892897 721409272 /nfs/dbraw/zinc/40/92/72/721409272.db2.gz ZBDRHQNWQZKFEY-JPYJTQIMSA-N 1 1 451.011 2.986 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C3)O2)CC1 ZINC001164892569 721410277 /nfs/dbraw/zinc/41/02/77/721410277.db2.gz YWJMRATYNYXHAJ-JXQFQVJHSA-N 1 1 490.052 2.944 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886222 721412876 /nfs/dbraw/zinc/41/28/76/721412876.db2.gz IHCRQXBCAVLYLC-KOSHJBKYSA-N 1 1 474.005 2.835 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)C3)O2)CC1 ZINC001164890148 721420312 /nfs/dbraw/zinc/42/03/12/721420312.db2.gz SDZHWLRYEMPBPP-QFQXNSOFSA-N 1 1 479.604 2.779 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164791110 721421564 /nfs/dbraw/zinc/42/15/64/721421564.db2.gz ZNWHQUTWFJFIAL-HOTGVXAUSA-N 1 1 457.581 2.697 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164885179 721424018 /nfs/dbraw/zinc/42/40/18/721424018.db2.gz GDBPFBATVNDIDX-SBUREZEXSA-N 1 1 459.616 2.633 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888886 721425454 /nfs/dbraw/zinc/42/54/54/721425454.db2.gz BDDBDWBFTKTRHH-AJTFRIOCSA-N 1 1 480.657 2.781 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164898368 721426073 /nfs/dbraw/zinc/42/60/73/721426073.db2.gz VUIMRDLAXAMEBE-AFMDSPMNSA-N 1 1 487.645 2.618 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164898373 721426339 /nfs/dbraw/zinc/42/63/39/721426339.db2.gz VUIMRDLAXAMEBE-NIYFSFCBSA-N 1 1 487.645 2.618 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164895818 721433039 /nfs/dbraw/zinc/43/30/39/721433039.db2.gz QADNONGRZHYGOK-IIBYNOLFSA-N 1 1 472.964 2.832 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2)C1 ZINC001164890772 721433414 /nfs/dbraw/zinc/43/34/14/721433414.db2.gz FKESKGQBDNMMRY-HNVPCBRESA-N 1 1 455.647 2.719 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1 ZINC001164888670 721441526 /nfs/dbraw/zinc/44/15/26/721441526.db2.gz ACQNERVXEANQBS-HFZDXXHNSA-N 1 1 467.614 2.926 20 0 JFADMO COC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c2ccccc2c1OC ZINC001164900007 721442108 /nfs/dbraw/zinc/44/21/08/721442108.db2.gz ZYNSHKNNAADYKW-NIYFSFCBSA-N 1 1 468.598 2.795 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1OC ZINC001164899466 721444264 /nfs/dbraw/zinc/44/42/64/721444264.db2.gz YMSASMCFJLYGGN-CCLHPLFOSA-N 1 1 497.640 2.935 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164783948 721460519 /nfs/dbraw/zinc/46/05/19/721460519.db2.gz GPOCCEJVCQBOPU-FQEVSTJZSA-N 1 1 480.053 2.701 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164784340 721462934 /nfs/dbraw/zinc/46/29/34/721462934.db2.gz HLUDRFOIRPHDGJ-JOCHJYFZSA-N 1 1 492.686 2.600 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164789472 721467293 /nfs/dbraw/zinc/46/72/93/721467293.db2.gz NDEYGRFUYGTWTR-QFIPXVFZSA-N 1 1 487.645 2.725 20 0 JFADMO O=C(NCc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2)c1ccco1 ZINC001164895161 721471510 /nfs/dbraw/zinc/47/15/10/721471510.db2.gz ZQYAGCRPFGWVBT-UHFFFAOYSA-N 1 1 482.972 2.821 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164788263 721473728 /nfs/dbraw/zinc/47/37/28/721473728.db2.gz IVVLMLSUKNFAHM-FYYLOGMGSA-N 1 1 486.657 2.879 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164788297 721473849 /nfs/dbraw/zinc/47/38/49/721473849.db2.gz IVVLMLSUKNFAHM-JTHBVZDNSA-N 1 1 486.657 2.879 20 0 JFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900189 721495653 /nfs/dbraw/zinc/49/56/53/721495653.db2.gz NDAJCVWISHXLKC-HMXCVIKNSA-N 1 1 450.616 2.898 20 0 JFADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164795459 721502291 /nfs/dbraw/zinc/50/22/91/721502291.db2.gz HSUKNOQRHOHUGX-UHFFFAOYSA-N 1 1 450.587 2.661 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164805573 721535681 /nfs/dbraw/zinc/53/56/81/721535681.db2.gz MILOQYZBPOCQSK-PWRODBHTSA-N 1 1 466.611 2.791 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164805573 721535684 /nfs/dbraw/zinc/53/56/84/721535684.db2.gz MILOQYZBPOCQSK-PWRODBHTSA-N 1 1 466.611 2.791 20 0 JFADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907594 721553353 /nfs/dbraw/zinc/55/33/53/721553353.db2.gz OURHHYRQGJPOLV-PZJWPPBQSA-N 1 1 460.575 2.737 20 0 JFADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907592 721553694 /nfs/dbraw/zinc/55/36/94/721553694.db2.gz OURHHYRQGJPOLV-FPOVZHCZSA-N 1 1 460.575 2.737 20 0 JFADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906865 721555909 /nfs/dbraw/zinc/55/59/09/721555909.db2.gz LGNGVNVQOKYDJB-AZUAARDMSA-N 1 1 460.937 2.688 20 0 JFADMO O=C(c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906874 721556036 /nfs/dbraw/zinc/55/60/36/721556036.db2.gz LGNGVNVQOKYDJB-UYAOXDASSA-N 1 1 460.937 2.688 20 0 JFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908708 721568206 /nfs/dbraw/zinc/56/82/06/721568206.db2.gz RSTPKKBRYMEBJJ-MJGOQNOKSA-N 1 1 457.502 2.916 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC(C)=O ZINC001164805400 721569111 /nfs/dbraw/zinc/56/91/11/721569111.db2.gz NNPSUJFGSGUJDY-WRALFONMSA-N 1 1 491.548 2.744 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164809923 721573033 /nfs/dbraw/zinc/57/30/33/721573033.db2.gz YGRAPVLXYCGGNA-YQVWRLOYSA-N 1 1 451.905 2.642 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@H]2CCCO[C@@H]12 ZINC001164809923 721573040 /nfs/dbraw/zinc/57/30/40/721573040.db2.gz YGRAPVLXYCGGNA-YQVWRLOYSA-N 1 1 451.905 2.642 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1C ZINC001164802298 721574605 /nfs/dbraw/zinc/57/46/05/721574605.db2.gz IAQUYNMMBKKEEO-NEWSRXKRSA-N 1 1 470.961 2.672 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1C ZINC001164802298 721574608 /nfs/dbraw/zinc/57/46/08/721574608.db2.gz IAQUYNMMBKKEEO-NEWSRXKRSA-N 1 1 470.961 2.672 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808901 721580817 /nfs/dbraw/zinc/58/08/17/721580817.db2.gz RNMDLZLMMUGSAH-GIWBLDEGSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164808901 721580820 /nfs/dbraw/zinc/58/08/20/721580820.db2.gz RNMDLZLMMUGSAH-GIWBLDEGSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164804136 721580952 /nfs/dbraw/zinc/58/09/52/721580952.db2.gz IYPZQSWLHCHWOI-FIXSFTCYSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164804136 721580954 /nfs/dbraw/zinc/58/09/54/721580954.db2.gz IYPZQSWLHCHWOI-FIXSFTCYSA-N 1 1 473.643 2.812 20 0 JFADMO O=C([C@@H]1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCOCC1 ZINC001164796934 721596187 /nfs/dbraw/zinc/59/61/87/721596187.db2.gz FAIFFTIYBXHKHP-UFYCRDLUSA-N 1 1 497.665 2.761 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)c2c1C ZINC001164796080 721596312 /nfs/dbraw/zinc/59/63/12/721596312.db2.gz BOMHNGVOMXYJTQ-AABGKKOBSA-N 1 1 485.654 2.889 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)c2c1C ZINC001164801547 721598726 /nfs/dbraw/zinc/59/87/26/721598726.db2.gz OYZSWYYPMNQQGW-YSIASYRMSA-N 1 1 493.637 2.718 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CCC[C@@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)n2)CC1 ZINC001164803885 721605753 /nfs/dbraw/zinc/60/57/53/721605753.db2.gz WQXMLPINOIHKFE-HSZRJFAPSA-N 1 1 469.977 2.636 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CCC[C@]4(CC(C(=O)Nc5cccc(Cl)c5)=NO4)C3)n2)CC1 ZINC001164803886 721605809 /nfs/dbraw/zinc/60/58/09/721605809.db2.gz WQXMLPINOIHKFE-QHCPKHFHSA-N 1 1 469.977 2.636 20 0 JFADMO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164799831 721606136 /nfs/dbraw/zinc/60/61/36/721606136.db2.gz CEVSMYWUOIWERM-MHZLTWQESA-N 1 1 471.609 2.878 20 0 JFADMO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164799831 721606140 /nfs/dbraw/zinc/60/61/40/721606140.db2.gz CEVSMYWUOIWERM-MHZLTWQESA-N 1 1 471.609 2.878 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907650 721714661 /nfs/dbraw/zinc/71/46/61/721714661.db2.gz SGYYPYGASTYDHU-DEOSSOPVSA-N 1 1 486.567 2.999 20 0 JFADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC001164906133 721715864 /nfs/dbraw/zinc/71/58/64/721715864.db2.gz KELDMQFBRCRLBY-JOCHJYFZSA-N 1 1 477.581 2.999 20 0 JFADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCCC1 ZINC001164913861 721724224 /nfs/dbraw/zinc/72/42/24/721724224.db2.gz YZWHGAKTBQOBJJ-QFIPXVFZSA-N 1 1 477.581 2.999 20 0 JFADMO O=C(NC1CCOCC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913431 721730136 /nfs/dbraw/zinc/73/01/36/721730136.db2.gz VRUZERLACJCQEK-HSZRJFAPSA-N 1 1 472.540 2.518 20 0 JFADMO O=S(=O)(c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1)N1CCCC1 ZINC001164909768 721730257 /nfs/dbraw/zinc/73/02/57/721730257.db2.gz DMTJIBYPAZHFPA-JOCHJYFZSA-N 1 1 477.581 2.999 20 0 JFADMO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165012691 721756016 /nfs/dbraw/zinc/75/60/16/721756016.db2.gz GQPNJIONRLEFBD-MZKUHISZSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cn1 ZINC001165012690 721756210 /nfs/dbraw/zinc/75/62/10/721756210.db2.gz GQPNJIONRLEFBD-DGWZTRNLSA-N 1 1 472.593 2.540 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912291 721760660 /nfs/dbraw/zinc/76/06/60/721760660.db2.gz XOYVIKMMNXKLQO-UHFFFAOYSA-N 1 1 455.584 2.951 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164912291 721760664 /nfs/dbraw/zinc/76/06/64/721760664.db2.gz XOYVIKMMNXKLQO-UHFFFAOYSA-N 1 1 455.584 2.951 20 0 JFADMO COc1cccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915217 721781471 /nfs/dbraw/zinc/78/14/71/721781471.db2.gz KKDBYXJZAOGYBI-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cccc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915217 721781480 /nfs/dbraw/zinc/78/14/80/721781480.db2.gz KKDBYXJZAOGYBI-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915541 721790231 /nfs/dbraw/zinc/79/02/31/721790231.db2.gz LACLBPHYPPYFEP-JOCHJYFZSA-N 1 1 457.966 2.563 20 0 JFADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915541 721790232 /nfs/dbraw/zinc/79/02/32/721790232.db2.gz LACLBPHYPPYFEP-JOCHJYFZSA-N 1 1 457.966 2.563 20 0 JFADMO COC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc2c1OC ZINC001164915017 721797668 /nfs/dbraw/zinc/79/76/68/721797668.db2.gz UAHCYFGVICUPNO-SANMLTNESA-N 1 1 478.549 2.533 20 0 JFADMO COC(=O)c1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc2c1OC ZINC001164915017 721797670 /nfs/dbraw/zinc/79/76/70/721797670.db2.gz UAHCYFGVICUPNO-SANMLTNESA-N 1 1 478.549 2.533 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024240 721819313 /nfs/dbraw/zinc/81/93/13/721819313.db2.gz KAYPQADBSKVWJP-PMOQBDJRSA-N 1 1 480.613 2.622 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024244 721819378 /nfs/dbraw/zinc/81/93/78/721819378.db2.gz KAYPQADBSKVWJP-WWPVKYPJSA-N 1 1 480.613 2.622 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1=O ZINC001164920534 721844019 /nfs/dbraw/zinc/84/40/19/721844019.db2.gz KDIUHNDDKVAEQQ-UYAOXDASSA-N 1 1 499.681 2.866 20 0 JFADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001165034180 721875519 /nfs/dbraw/zinc/87/55/19/721875519.db2.gz GPQASPMZIKRZMM-QGZVFWFLSA-N 1 1 471.627 2.814 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164939759 721923736 /nfs/dbraw/zinc/92/37/36/721923736.db2.gz MSGCLRXKCWNEQL-UHFFFAOYSA-N 1 1 458.994 2.541 20 0 JFADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165056620 722016104 /nfs/dbraw/zinc/01/61/04/722016104.db2.gz YZNDAJXWXDJUDV-PMACEKPBSA-N 1 1 485.583 2.986 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4COC[C@@H]43)c2c1C ZINC001164960095 722037540 /nfs/dbraw/zinc/03/75/40/722037540.db2.gz JGWPVDZFTFUYBZ-HBFSDRIKSA-N 1 1 480.638 2.876 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164960305 722047783 /nfs/dbraw/zinc/04/77/83/722047783.db2.gz UWTJFXZNWFOYAW-CNNODRBYSA-N 1 1 495.624 2.824 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc-2n1 ZINC001164962260 722055663 /nfs/dbraw/zinc/05/56/63/722055663.db2.gz BYZGLAPKCDCHBC-UHFFFAOYSA-N 1 1 465.554 2.872 20 0 JFADMO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c3)cc21 ZINC001164964982 722055795 /nfs/dbraw/zinc/05/57/95/722055795.db2.gz ZOTHIPSLOGRQLA-UHFFFAOYSA-N 1 1 472.593 2.877 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164960040 722057700 /nfs/dbraw/zinc/05/77/00/722057700.db2.gz FFLYVSQATQFKIK-UHFFFAOYSA-N 1 1 494.640 2.770 20 0 JFADMO COc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(N2CCCCCC2)n1 ZINC001164962511 722059553 /nfs/dbraw/zinc/05/95/53/722059553.db2.gz SWWMRQUDIUSCEU-UHFFFAOYSA-N 1 1 467.618 2.775 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2C1 ZINC001164962219 722059820 /nfs/dbraw/zinc/05/98/20/722059820.db2.gz QJXSLXXJWJOVBV-UHFFFAOYSA-N 1 1 466.586 2.505 20 0 JFADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164972300 722079519 /nfs/dbraw/zinc/07/95/19/722079519.db2.gz ZZWZGKJVMPOMGS-QLXKLKPCSA-N 1 1 496.681 2.729 20 0 JFADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2=O)cn1 ZINC001164982441 722095600 /nfs/dbraw/zinc/09/56/00/722095600.db2.gz RDYXQBMHTSAGSD-APWZRJJASA-N 1 1 477.638 2.999 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982723 722101553 /nfs/dbraw/zinc/10/15/53/722101553.db2.gz OCISFHDGSSMFEO-WMZOPIPTSA-N 1 1 481.931 2.974 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164972552 722137655 /nfs/dbraw/zinc/13/76/55/722137655.db2.gz ACCONUIYEWHKGI-LPHOPBHVSA-N 1 1 470.961 2.531 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982111 722145621 /nfs/dbraw/zinc/14/56/21/722145621.db2.gz RDQIEKHXINRYAY-LPHOPBHVSA-N 1 1 486.001 2.961 20 0 JFADMO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973014 722159194 /nfs/dbraw/zinc/15/91/94/722159194.db2.gz JXLPUHJPQMHYJG-SJLPKXTDSA-N 1 1 486.972 2.806 20 0 JFADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997558 722236094 /nfs/dbraw/zinc/23/60/94/722236094.db2.gz PUYMUUHKBZVHDP-UHFFFAOYSA-N 1 1 497.644 2.505 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)CC1 ZINC001165001222 722239569 /nfs/dbraw/zinc/23/95/69/722239569.db2.gz DNYMTHWGMQEMOF-UHFFFAOYSA-N 1 1 459.328 2.960 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(C(=O)OC(C)(C)C)cc2Cl)CC3)CC1 ZINC001165002739 722239575 /nfs/dbraw/zinc/23/95/75/722239575.db2.gz XYBQGDQHQNBPLH-UHFFFAOYSA-N 1 1 458.994 2.837 20 0 JFADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109363 1059520443 /nfs/dbraw/zinc/52/04/43/1059520443.db2.gz OPSPPYTWCWSNGR-YADHBBJMSA-N 1 1 459.616 2.515 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001264510009 1059600417 /nfs/dbraw/zinc/60/04/17/1059600417.db2.gz CTFGHTNWTKCZBT-WOJBJXKFSA-N 1 1 452.640 2.957 20 0 JFADMO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001264583252 1059619583 /nfs/dbraw/zinc/61/95/83/1059619583.db2.gz CQSXEHQQMJHKRT-LOSJGSFVSA-N 1 1 478.618 2.533 20 0 JFADMO COC(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC001264643840 1059635958 /nfs/dbraw/zinc/63/59/58/1059635958.db2.gz JVSPQBVVZYJRGM-NRFANRHFSA-N 1 1 455.942 2.862 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2csc(N3CCCCC3)n2)c1 ZINC001264708127 1059653199 /nfs/dbraw/zinc/65/31/99/1059653199.db2.gz LPDQDWRFSIHMOB-UHFFFAOYSA-N 1 1 457.600 2.724 20 0 JFADMO COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2=O)c1 ZINC001264756064 1059664772 /nfs/dbraw/zinc/66/47/72/1059664772.db2.gz OSVVTEFBTJPIAG-IBGZPJMESA-N 1 1 453.539 2.570 20 0 JFADMO COc1cccc2[nH]cc(CC(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)c21 ZINC001264943900 1059734730 /nfs/dbraw/zinc/73/47/30/1059734730.db2.gz YYIZHODVEFEYMY-UHFFFAOYSA-N 1 1 456.568 2.684 20 0 JFADMO COc1cccc2[nH]cc(CC(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)c21 ZINC001264943900 1059734748 /nfs/dbraw/zinc/73/47/48/1059734748.db2.gz YYIZHODVEFEYMY-UHFFFAOYSA-N 1 1 456.568 2.684 20 0 JFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC001264953812 1059737910 /nfs/dbraw/zinc/73/79/10/1059737910.db2.gz UXJLNEJDBVPODT-UHFFFAOYSA-N 1 1 453.568 2.795 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cnn(C(C)C)c3Br)CC2)CC1 ZINC001265122913 1059772298 /nfs/dbraw/zinc/77/22/98/1059772298.db2.gz WQDPURDLDBAVGN-UHFFFAOYSA-N 1 1 454.413 2.633 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265247167 1059805710 /nfs/dbraw/zinc/80/57/10/1059805710.db2.gz LPEQLLWMIYWCPW-IRLDBZIGSA-N 1 1 455.603 2.719 20 0 JFADMO CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247642 1059806070 /nfs/dbraw/zinc/80/60/70/1059806070.db2.gz PALQDRQWCGSUSK-NZQKXSOJSA-N 1 1 450.539 2.605 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001265393552 1059840606 /nfs/dbraw/zinc/84/06/06/1059840606.db2.gz AQUHDIUAJZSEOI-INIZCTEOSA-N 1 1 459.476 2.622 20 0 JFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC001265393903 1059842198 /nfs/dbraw/zinc/84/21/98/1059842198.db2.gz MDKJNSMYLRNRLF-HOYKHHGWSA-N 1 1 452.555 2.524 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001265661227 1059905839 /nfs/dbraw/zinc/90/58/39/1059905839.db2.gz PPSSLDZTGQFSBU-HXUWFJFHSA-N 1 1 451.615 2.826 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)cc2)CC1 ZINC001265679937 1059909255 /nfs/dbraw/zinc/90/92/55/1059909255.db2.gz UCUJVCRZYKKQGV-QFIPXVFZSA-N 1 1 456.612 2.848 20 0 JFADMO CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2S1(=O)=O ZINC001265829029 1059931442 /nfs/dbraw/zinc/93/14/42/1059931442.db2.gz XUIPZGWSQPCAIK-HXUWFJFHSA-N 1 1 455.580 2.976 20 0 JFADMO CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837633 1059933965 /nfs/dbraw/zinc/93/39/65/1059933965.db2.gz ZSUQFSATLAYUDO-GGAORHGYSA-N 1 1 450.514 2.781 20 0 JFADMO CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837633 1059933984 /nfs/dbraw/zinc/93/39/84/1059933984.db2.gz ZSUQFSATLAYUDO-GGAORHGYSA-N 1 1 450.514 2.781 20 0 JFADMO CC[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837231 1059934472 /nfs/dbraw/zinc/93/44/72/1059934472.db2.gz VLVDIOUCCYQZNP-NQIIRXRSSA-N 1 1 459.493 2.801 20 0 JFADMO CC[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837231 1059934493 /nfs/dbraw/zinc/93/44/93/1059934493.db2.gz VLVDIOUCCYQZNP-NQIIRXRSSA-N 1 1 459.493 2.801 20 0 JFADMO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001265876959 1059939096 /nfs/dbraw/zinc/93/90/96/1059939096.db2.gz TVPCGMDRRVJFAB-IBGZPJMESA-N 1 1 453.052 2.916 20 0 JFADMO CS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cn1 ZINC001266093045 1059962559 /nfs/dbraw/zinc/96/25/59/1059962559.db2.gz OITMSERJICCDJQ-UHFFFAOYSA-N 1 1 452.374 2.642 20 0 JFADMO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc[nH+]c2C)CC1 ZINC001299748110 1059963089 /nfs/dbraw/zinc/96/30/89/1059963089.db2.gz AKECHFZXDWIPNW-QHCPKHFHSA-N 1 1 472.615 2.949 20 0 JFADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001279867218 1059996189 /nfs/dbraw/zinc/99/61/89/1059996189.db2.gz JYVMCBXDKXNVIL-OFNKIYASSA-N 1 1 457.596 2.547 20 0 JFADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001279867218 1059996215 /nfs/dbraw/zinc/99/62/15/1059996215.db2.gz JYVMCBXDKXNVIL-OFNKIYASSA-N 1 1 457.596 2.547 20 0 JFADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001279867220 1059996405 /nfs/dbraw/zinc/99/64/05/1059996405.db2.gz JYVMCBXDKXNVIL-REWPJTCUSA-N 1 1 457.596 2.547 20 0 JFADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001279867220 1059996423 /nfs/dbraw/zinc/99/64/23/1059996423.db2.gz JYVMCBXDKXNVIL-REWPJTCUSA-N 1 1 457.596 2.547 20 0 JFADMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192486 1060001027 /nfs/dbraw/zinc/00/10/27/1060001027.db2.gz BABVGJBPKDDZFA-IAGOWNOFSA-N 1 1 454.017 2.945 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cc[nH+]c2C)CC1 ZINC001286839789 1061098488 /nfs/dbraw/zinc/09/84/88/1061098488.db2.gz ZBTMCFPQTFZDGO-UHFFFAOYSA-N 1 1 478.601 2.799 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286843282 1061121089 /nfs/dbraw/zinc/12/10/89/1061121089.db2.gz MOJKANDBFLOJQO-NRFANRHFSA-N 1 1 495.672 2.758 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001286843637 1061123847 /nfs/dbraw/zinc/12/38/47/1061123847.db2.gz AMPHAFXJJFDAPK-SFHVURJKSA-N 1 1 458.582 2.928 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001286849737 1061174265 /nfs/dbraw/zinc/17/42/65/1061174265.db2.gz XVZFJYJTJWNVMU-NRFANRHFSA-N 1 1 464.618 2.776 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@H+](C)Cc2ccc(F)cc2)o1 ZINC001289577011 1061222904 /nfs/dbraw/zinc/22/29/04/1061222904.db2.gz MKGGJKFPDNEEOJ-UHFFFAOYSA-N 1 1 490.605 2.636 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001286860150 1061226315 /nfs/dbraw/zinc/22/63/15/1061226315.db2.gz MCEOJAGQIORKLW-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001289585291 1061228674 /nfs/dbraw/zinc/22/86/74/1061228674.db2.gz LVQDYKCCLWJYMH-ICSRJNTNSA-N 1 1 478.663 2.733 20 0 JFADMO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)CC1 ZINC001286860647 1061228903 /nfs/dbraw/zinc/22/89/03/1061228903.db2.gz IAXIYZURNSIFNE-UHFFFAOYSA-N 1 1 478.601 2.801 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001289587107 1061231062 /nfs/dbraw/zinc/23/10/62/1061231062.db2.gz VWYYPWIOQLLMJU-NLWGTHIKSA-N 1 1 478.663 2.733 20 0 JFADMO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286862610 1061235413 /nfs/dbraw/zinc/23/54/13/1061235413.db2.gz PPCLUZGOUMBCER-RUZDIDTESA-N 1 1 476.666 2.642 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN([C@H](C(N)=O)c4ccccc4)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001289595598 1061238993 /nfs/dbraw/zinc/23/89/93/1061238993.db2.gz NXEFLULUIQAGLR-QHCPKHFHSA-N 1 1 479.629 2.925 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001286863707 1061239661 /nfs/dbraw/zinc/23/96/61/1061239661.db2.gz GIFGXAICBBEEIS-UHFFFAOYSA-N 1 1 492.043 2.822 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286863707 1061239681 /nfs/dbraw/zinc/23/96/81/1061239681.db2.gz GIFGXAICBBEEIS-UHFFFAOYSA-N 1 1 492.043 2.822 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286863707 1061239701 /nfs/dbraw/zinc/23/97/01/1061239701.db2.gz GIFGXAICBBEEIS-UHFFFAOYSA-N 1 1 492.043 2.822 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001289597901 1061241625 /nfs/dbraw/zinc/24/16/25/1061241625.db2.gz FTCKZXRPXKMIGC-HNNXBMFYSA-N 1 1 472.391 2.888 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC001286864185 1061241743 /nfs/dbraw/zinc/24/17/43/1061241743.db2.gz YTROTMXBCYDAFT-QFIPXVFZSA-N 1 1 484.693 2.798 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001286864879 1061244621 /nfs/dbraw/zinc/24/46/21/1061244621.db2.gz MOQSFCYBOFWHFY-UHFFFAOYSA-N 1 1 488.080 2.931 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)o1 ZINC001289600736 1061245327 /nfs/dbraw/zinc/24/53/27/1061245327.db2.gz PAWGJFNMAUBBIC-IBGZPJMESA-N 1 1 458.607 2.650 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)o1 ZINC001289600736 1061245344 /nfs/dbraw/zinc/24/53/44/1061245344.db2.gz PAWGJFNMAUBBIC-IBGZPJMESA-N 1 1 458.607 2.650 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001286865074 1061245649 /nfs/dbraw/zinc/24/56/49/1061245649.db2.gz SEFGBENVPAVEQK-FQEVSTJZSA-N 1 1 475.037 2.894 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CCOC(C)(C)C)o1 ZINC001289602162 1061248066 /nfs/dbraw/zinc/24/80/66/1061248066.db2.gz MCRYVONPHHBPTB-OAQYLSRUSA-N 1 1 474.650 2.893 20 0 JFADMO Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CC=CCC2)cc1Br ZINC001289609879 1061254350 /nfs/dbraw/zinc/25/43/50/1061254350.db2.gz PBSOWWOVSVUFTK-UHFFFAOYSA-N 1 1 480.432 2.513 20 0 JFADMO Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CC=CCC2)cc1Br ZINC001289609879 1061254367 /nfs/dbraw/zinc/25/43/67/1061254367.db2.gz PBSOWWOVSVUFTK-UHFFFAOYSA-N 1 1 480.432 2.513 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC001286868645 1061258512 /nfs/dbraw/zinc/25/85/12/1061258512.db2.gz AAKXUYUBQFHFDK-NZQKXSOJSA-N 1 1 454.619 2.750 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286868906 1061259594 /nfs/dbraw/zinc/25/95/94/1061259594.db2.gz CHXOWLDTMVOEPF-WIOPSUGQSA-N 1 1 497.688 2.706 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3OCCC3(C)C)C[C@H]2C)CC1 ZINC001286870835 1061267994 /nfs/dbraw/zinc/26/79/94/1061267994.db2.gz KUISYPHOQBLCNF-CEMLEFRQSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871441 1061272341 /nfs/dbraw/zinc/27/23/41/1061272341.db2.gz OFKGNHNWNAARAJ-YJBOKZPZSA-N 1 1 474.597 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@@H]2C)CC1 ZINC001286871724 1061274823 /nfs/dbraw/zinc/27/48/23/1061274823.db2.gz PHVKVIHIPRBNJP-REWPJTCUSA-N 1 1 487.693 2.766 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@@H]2C)CC1 ZINC001286872142 1061276610 /nfs/dbraw/zinc/27/66/10/1061276610.db2.gz SITBMRXEDXFZIT-FXAWDEMLSA-N 1 1 494.587 2.897 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@H]2C)CC1 ZINC001286872590 1061278748 /nfs/dbraw/zinc/27/87/48/1061278748.db2.gz WTFSDIGSZUMUGO-IFMALSPDSA-N 1 1 460.667 2.551 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@@H]2C)CC1 ZINC001286872537 1061278798 /nfs/dbraw/zinc/27/87/98/1061278798.db2.gz WAAGZZPEMODFQN-FPOVZHCZSA-N 1 1 460.667 2.771 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC001286872593 1061279440 /nfs/dbraw/zinc/27/94/40/1061279440.db2.gz WTFSDIGSZUMUGO-UNMCSNQZSA-N 1 1 460.667 2.551 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@@H]2C)CC1 ZINC001286872725 1061280141 /nfs/dbraw/zinc/28/01/41/1061280141.db2.gz XFYUPFWGTLESQA-UWJYYQICSA-N 1 1 459.664 2.753 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286872737 1061280204 /nfs/dbraw/zinc/28/02/04/1061280204.db2.gz XGNWZGQTNOORQU-OFNKIYASSA-N 1 1 460.667 2.987 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286872735 1061280271 /nfs/dbraw/zinc/28/02/71/1061280271.db2.gz XGNWZGQTNOORQU-NFBKMPQASA-N 1 1 460.667 2.987 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286873004 1061283880 /nfs/dbraw/zinc/28/38/80/1061283880.db2.gz ZYRXNGDGRAWCOA-XXBNENTESA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286873725 1061287507 /nfs/dbraw/zinc/28/75/07/1061287507.db2.gz FJUSNASUMUTBFE-HDICACEKSA-N 1 1 458.582 2.641 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286874110 1061288458 /nfs/dbraw/zinc/28/84/58/1061288458.db2.gz LJDNDMFINKTQSG-BGYRXZFFSA-N 1 1 454.619 2.810 20 0 JFADMO CC1(C)CC[N@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001289678759 1061294387 /nfs/dbraw/zinc/29/43/87/1061294387.db2.gz JEVVXVAGTBZNQY-QGZVFWFLSA-N 1 1 459.450 2.891 20 0 JFADMO CC1(C)CC[N@@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001289678759 1061294403 /nfs/dbraw/zinc/29/44/03/1061294403.db2.gz JEVVXVAGTBZNQY-QGZVFWFLSA-N 1 1 459.450 2.891 20 0 JFADMO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001289699810 1061310618 /nfs/dbraw/zinc/31/06/18/1061310618.db2.gz FIEKGGLFLSKTPZ-UHFFFAOYSA-N 1 1 481.689 2.701 20 0 JFADMO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001289700609 1061312905 /nfs/dbraw/zinc/31/29/05/1061312905.db2.gz VZBBIOLTBFNBLU-HSZRJFAPSA-N 1 1 486.636 2.924 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC001286883761 1061314979 /nfs/dbraw/zinc/31/49/79/1061314979.db2.gz PIZKCRUDLVOUBD-JOCHJYFZSA-N 1 1 497.688 2.557 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC001286884547 1061319383 /nfs/dbraw/zinc/31/93/83/1061319383.db2.gz ULLJKTXZTUMXEH-LADGPHEKSA-N 1 1 498.672 2.888 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289720514 1061326624 /nfs/dbraw/zinc/32/66/24/1061326624.db2.gz DHIVDHHUQGLGHM-OALUTQOASA-N 1 1 490.674 2.889 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001286886098 1061327147 /nfs/dbraw/zinc/32/71/47/1061327147.db2.gz ASGGKSZCRYOBAN-GCJKJVERSA-N 1 1 454.619 2.513 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H]2CCCn3cc[nH+]c32)cc1C ZINC001289721605 1061328093 /nfs/dbraw/zinc/32/80/93/1061328093.db2.gz MPVOHTNNOJEGPK-MSOLQXFVSA-N 1 1 464.574 2.621 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289721645 1061328621 /nfs/dbraw/zinc/32/86/21/1061328621.db2.gz NGKIDJMFJGPWQZ-FXAWDEMLSA-N 1 1 490.674 2.748 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289721645 1061328642 /nfs/dbraw/zinc/32/86/42/1061328642.db2.gz NGKIDJMFJGPWQZ-FXAWDEMLSA-N 1 1 490.674 2.748 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCCCO3)C[C@@H]2C)CC1 ZINC001286886283 1061328702 /nfs/dbraw/zinc/32/87/02/1061328702.db2.gz BWIAJCCKCKVRDU-ILWGZMRPSA-N 1 1 460.667 2.815 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3)C[C@@H]2C)CC1 ZINC001286886675 1061330385 /nfs/dbraw/zinc/33/03/85/1061330385.db2.gz HKUTYDFRSDYHQH-MBSDFSHPSA-N 1 1 474.600 2.986 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3)C[C@H]2C)CC1 ZINC001286886676 1061330428 /nfs/dbraw/zinc/33/04/28/1061330428.db2.gz HKUTYDFRSDYHQH-WZONZLPQSA-N 1 1 474.600 2.986 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001289725502 1061332994 /nfs/dbraw/zinc/33/29/94/1061332994.db2.gz BYMDKTBHVNWAES-LJQANCHMSA-N 1 1 484.645 2.978 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001289725690 1061333286 /nfs/dbraw/zinc/33/32/86/1061333286.db2.gz IIXJEEXBMQNPJA-GGAORHGYSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4c(F)cccc4F)n3CC(C)C)C[C@H]2C)CC1 ZINC001286887082 1061333602 /nfs/dbraw/zinc/33/36/02/1061333602.db2.gz MQUWBOOBGAWGOE-VGSWGCGISA-N 1 1 460.573 2.792 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286887032 1061333644 /nfs/dbraw/zinc/33/36/44/1061333644.db2.gz MEOWIODYOFRZLZ-CVDCTZTESA-N 1 1 486.636 2.812 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001286887177 1061334593 /nfs/dbraw/zinc/33/45/93/1061334593.db2.gz OLWOTIJXZRFPHZ-DENIHFKCSA-N 1 1 481.645 2.593 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001289726505 1061334804 /nfs/dbraw/zinc/33/48/04/1061334804.db2.gz SVUKCBZWFKHODI-DENIHFKCSA-N 1 1 484.645 2.978 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C(C)C)C[C@H]2C)CC1 ZINC001286887239 1061334935 /nfs/dbraw/zinc/33/49/35/1061334935.db2.gz PRBMAWUXIVALHR-CTNGQTDRSA-N 1 1 496.660 2.596 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286887408 1061336166 /nfs/dbraw/zinc/33/61/66/1061336166.db2.gz QTZWDJYRQJUAOI-XUZZJYLKSA-N 1 1 468.646 2.853 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001286887418 1061336197 /nfs/dbraw/zinc/33/61/97/1061336197.db2.gz QXZULXYHTKRXNB-AWRGLXIESA-N 1 1 467.662 2.915 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001286887421 1061336349 /nfs/dbraw/zinc/33/63/49/1061336349.db2.gz QXZULXYHTKRXNB-ZFGGDYGUSA-N 1 1 467.662 2.915 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887519 1061337027 /nfs/dbraw/zinc/33/70/27/1061337027.db2.gz SCFDUCDTQQPFFG-LPHOPBHVSA-N 1 1 497.591 2.506 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001289727956 1061337515 /nfs/dbraw/zinc/33/75/15/1061337515.db2.gz WYWJFARTNZDMDD-JOCHJYFZSA-N 1 1 470.618 2.875 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286888401 1061340981 /nfs/dbraw/zinc/34/09/81/1061340981.db2.gz YKHXSSRBOFLMJN-CVDCTZTESA-N 1 1 484.693 2.759 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286888403 1061341136 /nfs/dbraw/zinc/34/11/36/1061341136.db2.gz YKHXSSRBOFLMJN-XXBNENTESA-N 1 1 484.693 2.759 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3C[C@@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286888611 1061342098 /nfs/dbraw/zinc/34/20/98/1061342098.db2.gz ZQVPHQWLTCUHLS-QNIAMRLHSA-N 1 1 460.667 2.722 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001289733502 1061343850 /nfs/dbraw/zinc/34/38/50/1061343850.db2.gz UNWBRKSHDJCGNM-CLOONOSVSA-N 1 1 479.585 2.745 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001289733334 1061343902 /nfs/dbraw/zinc/34/39/02/1061343902.db2.gz RRMCDZPIOJKHTH-VWLOTQADSA-N 1 1 478.601 2.834 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735786 1061348128 /nfs/dbraw/zinc/34/81/28/1061348128.db2.gz SSOPUBDXFMVDPQ-SBUREZEXSA-N 1 1 462.545 2.695 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289737411 1061349786 /nfs/dbraw/zinc/34/97/86/1061349786.db2.gz FCJBDIRYUYWTTK-FXAWDEMLSA-N 1 1 467.618 2.581 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@H](C)C2)CC1 ZINC001286889787 1061350970 /nfs/dbraw/zinc/35/09/70/1061350970.db2.gz LPOWLDYGJPXGRZ-INIZCTEOSA-N 1 1 461.408 2.718 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001286889847 1061351872 /nfs/dbraw/zinc/35/18/72/1061351872.db2.gz NFOADBZCSHNCTH-QGZVFWFLSA-N 1 1 461.010 2.766 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001289739091 1061352452 /nfs/dbraw/zinc/35/24/52/1061352452.db2.gz HDYOYWCCEZQRHO-JOCHJYFZSA-N 1 1 470.618 2.731 20 0 JFADMO CC(=O)N1CCN(CCn2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001286890250 1061353354 /nfs/dbraw/zinc/35/33/54/1061353354.db2.gz PKINLYRETLBZCV-UHFFFAOYSA-N 1 1 485.652 2.591 20 0 JFADMO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286890749 1061356732 /nfs/dbraw/zinc/35/67/32/1061356732.db2.gz TWLZADYTYLXHGF-UHFFFAOYSA-N 1 1 461.699 2.587 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CC(C)C)cc1C ZINC001289741985 1061357636 /nfs/dbraw/zinc/35/76/36/1061357636.db2.gz YYEPJDMTFDBRTI-NRFANRHFSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001286891443 1061360553 /nfs/dbraw/zinc/36/05/53/1061360553.db2.gz XQRRKLKHYRRMOM-HUUCEWRRSA-N 1 1 496.479 2.530 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)C2)nc1 ZINC001289746533 1061364027 /nfs/dbraw/zinc/36/40/27/1061364027.db2.gz ABALBPLPNOSXMT-RTWAWAEBSA-N 1 1 469.634 2.807 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N(C)CCC2CCOCC2)CC1 ZINC001286892321 1061364398 /nfs/dbraw/zinc/36/43/98/1061364398.db2.gz VNQGAVSYDKXCLU-UHFFFAOYSA-N 1 1 458.582 2.501 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CC[N@H+](C)C2CCCCC2)cc1C ZINC001289747089 1061365470 /nfs/dbraw/zinc/36/54/70/1061365470.db2.gz NNPISSQJPVHKFL-UHFFFAOYSA-N 1 1 472.659 2.980 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CCCC[NH+]2CCOCC2)cc1C ZINC001289747118 1061366033 /nfs/dbraw/zinc/36/60/33/1061366033.db2.gz GTPOLYSJKVAIHP-UHFFFAOYSA-N 1 1 452.563 2.737 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001289748379 1061369131 /nfs/dbraw/zinc/36/91/31/1061369131.db2.gz QIVQICOTELEZIZ-WOJBJXKFSA-N 1 1 482.633 2.518 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001289753397 1061375320 /nfs/dbraw/zinc/37/53/20/1061375320.db2.gz KQTZXQAXTHPXII-UHFFFAOYSA-N 1 1 492.672 2.941 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001289755376 1061377569 /nfs/dbraw/zinc/37/75/69/1061377569.db2.gz ARSGLDGLCNIVDV-HXUWFJFHSA-N 1 1 470.618 2.666 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001289755376 1061377584 /nfs/dbraw/zinc/37/75/84/1061377584.db2.gz ARSGLDGLCNIVDV-HXUWFJFHSA-N 1 1 470.618 2.666 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286902417 1061397435 /nfs/dbraw/zinc/39/74/35/1061397435.db2.gz AAXNUOSWWWXQSN-QBHIOLROSA-N 1 1 476.666 2.557 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286902410 1061397548 /nfs/dbraw/zinc/39/75/48/1061397548.db2.gz AAXNUOSWWWXQSN-FEZPLFSRSA-N 1 1 476.666 2.557 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289792464 1061425506 /nfs/dbraw/zinc/42/55/06/1061425506.db2.gz UZKYGFUIVAHPKC-VSKRKVRLSA-N 1 1 484.645 2.640 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286906767 1061430709 /nfs/dbraw/zinc/43/07/09/1061430709.db2.gz GLZUMGLEWITZEQ-VXKWHMMOSA-N 1 1 475.037 2.940 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286906769 1061431819 /nfs/dbraw/zinc/43/18/19/1061431819.db2.gz GNPASZCMJXJAER-IBGZPJMESA-N 1 1 492.571 2.762 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286906769 1061431832 /nfs/dbraw/zinc/43/18/32/1061431832.db2.gz GNPASZCMJXJAER-IBGZPJMESA-N 1 1 492.571 2.762 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001289799421 1061434668 /nfs/dbraw/zinc/43/46/68/1061434668.db2.gz JEFSZEYRQGNGHW-QHCPKHFHSA-N 1 1 484.645 2.614 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001286908087 1061440762 /nfs/dbraw/zinc/44/07/62/1061440762.db2.gz XTSFUSASWWLDPX-BKMJKUGQSA-N 1 1 484.645 2.542 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286910528 1061458080 /nfs/dbraw/zinc/45/80/80/1061458080.db2.gz CWAPXNGIVJFBCS-UGKGYDQZSA-N 1 1 456.639 2.509 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286910526 1061458195 /nfs/dbraw/zinc/45/81/95/1061458195.db2.gz CWAPXNGIVJFBCS-SIKLNZKXSA-N 1 1 456.639 2.509 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286912077 1061466600 /nfs/dbraw/zinc/46/66/00/1061466600.db2.gz JKINQNLIFGYMLD-FUHIMQAGSA-N 1 1 459.664 2.859 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001289819383 1061479986 /nfs/dbraw/zinc/47/99/86/1061479986.db2.gz UKAJMHMCZSTKEO-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001289819383 1061479993 /nfs/dbraw/zinc/47/99/93/1061479993.db2.gz UKAJMHMCZSTKEO-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001286914400 1061482066 /nfs/dbraw/zinc/48/20/66/1061482066.db2.gz JNKLTDMGCVIYJB-HSZRJFAPSA-N 1 1 468.646 2.852 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001286914351 1061482089 /nfs/dbraw/zinc/48/20/89/1061482089.db2.gz XBKVKXRMUDNOAP-WIYYLYMNSA-N 1 1 460.648 2.536 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(O)CCC2)cc1C ZINC001289825697 1061498639 /nfs/dbraw/zinc/49/86/39/1061498639.db2.gz GYGVZXTYKFOYCQ-UHFFFAOYSA-N 1 1 457.619 2.936 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918796 1061507411 /nfs/dbraw/zinc/50/74/11/1061507411.db2.gz KTGXIKJOEVTHBN-OYRHEFFESA-N 1 1 468.646 2.782 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001289832443 1061508259 /nfs/dbraw/zinc/50/82/59/1061508259.db2.gz WOVZGSMXLVDPRI-NRFANRHFSA-N 1 1 456.635 2.725 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840600 1061515345 /nfs/dbraw/zinc/51/53/45/1061515345.db2.gz FOAGRDVWVOCMEV-DEOSSOPVSA-N 1 1 456.635 2.595 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286921273 1061516287 /nfs/dbraw/zinc/51/62/87/1061516287.db2.gz BYVJFCXQTZALDF-SFHVURJKSA-N 1 1 491.036 2.584 20 0 JFADMO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289846494 1061520350 /nfs/dbraw/zinc/52/03/50/1061520350.db2.gz MXWXBQPKKBXQRS-QHCPKHFHSA-N 1 1 467.618 2.859 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001286923659 1061527140 /nfs/dbraw/zinc/52/71/40/1061527140.db2.gz PGPLGAZPGGUPAC-OAQYLSRUSA-N 1 1 465.577 2.964 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001289855064 1061527269 /nfs/dbraw/zinc/52/72/69/1061527269.db2.gz UPHVWKJLUYZVEN-HXUWFJFHSA-N 1 1 462.664 2.857 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286926046 1061537702 /nfs/dbraw/zinc/53/77/02/1061537702.db2.gz HWMNVAXGBKFQSB-MXNKGDRCSA-N 1 1 476.666 2.760 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cnnn2C)cc1 ZINC001289862658 1061545302 /nfs/dbraw/zinc/54/53/02/1061545302.db2.gz IYQKDIHWPKHJEH-UHFFFAOYSA-N 1 1 470.647 2.603 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cnnn2C)cc1 ZINC001289862658 1061545311 /nfs/dbraw/zinc/54/53/11/1061545311.db2.gz IYQKDIHWPKHJEH-UHFFFAOYSA-N 1 1 470.647 2.603 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286927634 1061545762 /nfs/dbraw/zinc/54/57/62/1061545762.db2.gz IQVIGNYXURSLKO-NRFANRHFSA-N 1 1 489.064 2.986 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286927634 1061545776 /nfs/dbraw/zinc/54/57/76/1061545776.db2.gz IQVIGNYXURSLKO-NRFANRHFSA-N 1 1 489.064 2.986 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001289864187 1061547787 /nfs/dbraw/zinc/54/77/87/1061547787.db2.gz VMUGOOOMMXBAOT-SFHVURJKSA-N 1 1 451.662 2.844 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001289864187 1061547801 /nfs/dbraw/zinc/54/78/01/1061547801.db2.gz VMUGOOOMMXBAOT-SFHVURJKSA-N 1 1 451.662 2.844 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286928534 1061548915 /nfs/dbraw/zinc/54/89/15/1061548915.db2.gz PWWOZMKAHUAFCJ-NFBKMPQASA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868207 1061549963 /nfs/dbraw/zinc/54/99/63/1061549963.db2.gz PKJROHKNWHXQIZ-VQTJNVASSA-N 1 1 493.699 2.613 20 0 JFADMO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868205 1061550188 /nfs/dbraw/zinc/55/01/88/1061550188.db2.gz PKJROHKNWHXQIZ-UXHICEINSA-N 1 1 493.699 2.613 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286929660 1061551835 /nfs/dbraw/zinc/55/18/35/1061551835.db2.gz QAZUNEQPWLHHRI-GGAORHGYSA-N 1 1 468.646 2.984 20 0 JFADMO CC(=O)NCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286932229 1061560857 /nfs/dbraw/zinc/56/08/57/1061560857.db2.gz PBHFEQYNEUAJQW-NVQXNPDNSA-N 1 1 490.693 2.792 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001289880136 1061566538 /nfs/dbraw/zinc/56/65/38/1061566538.db2.gz ZEFORUJRAQWERI-FQEVSTJZSA-N 1 1 472.659 2.658 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286933721 1061566556 /nfs/dbraw/zinc/56/65/56/1061566556.db2.gz MEGQGGMRCBOEBG-IBGZPJMESA-N 1 1 462.602 2.608 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001286933890 1061567075 /nfs/dbraw/zinc/56/70/75/1061567075.db2.gz BPFAIKIMEFEQGC-HXUWFJFHSA-N 1 1 454.619 2.736 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294097185 1061575777 /nfs/dbraw/zinc/57/57/77/1061575777.db2.gz YHOILGXHYSUFMV-OFNKIYASSA-N 1 1 463.648 2.673 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001289890986 1061576920 /nfs/dbraw/zinc/57/69/20/1061576920.db2.gz ZKEGCQIASFCXQR-FUPPJEDESA-N 1 1 484.645 2.804 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001289890986 1061576944 /nfs/dbraw/zinc/57/69/44/1061576944.db2.gz ZKEGCQIASFCXQR-FUPPJEDESA-N 1 1 484.645 2.804 20 0 JFADMO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001294097706 1061577055 /nfs/dbraw/zinc/57/70/55/1061577055.db2.gz OPHDSKJDKLDVLV-FQEVSTJZSA-N 1 1 458.582 2.525 20 0 JFADMO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)CC1 ZINC001294101043 1061581741 /nfs/dbraw/zinc/58/17/41/1061581741.db2.gz OQVPLNRBKOOLPO-UHFFFAOYSA-N 1 1 453.465 2.505 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001289909188 1061597988 /nfs/dbraw/zinc/59/79/88/1061597988.db2.gz IGNBVSFZOHQBMN-NRFANRHFSA-N 1 1 468.627 2.794 20 0 JFADMO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117351 1061599429 /nfs/dbraw/zinc/59/94/29/1061599429.db2.gz WOJVKSQAILLYCX-SIKLNZKXSA-N 1 1 475.682 2.766 20 0 JFADMO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001294120662 1061600345 /nfs/dbraw/zinc/60/03/45/1061600345.db2.gz AERYOFZTDPJSGM-UHFFFAOYSA-N 1 1 452.580 2.812 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286943597 1061604087 /nfs/dbraw/zinc/60/40/87/1061604087.db2.gz VAAGDCLWXXHHHJ-WSTZPKSXSA-N 1 1 458.582 2.546 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286943852 1061606302 /nfs/dbraw/zinc/60/63/02/1061606302.db2.gz DMRIUQTVXIMIDP-HSZRJFAPSA-N 1 1 498.672 2.937 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289930973 1061620663 /nfs/dbraw/zinc/62/06/63/1061620663.db2.gz FLEIZTYTDZOSIY-BGYRXZFFSA-N 1 1 452.607 2.869 20 0 JFADMO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001294137343 1061621923 /nfs/dbraw/zinc/62/19/23/1061621923.db2.gz LYQHQDSKDSIXLC-UNMCSNQZSA-N 1 1 490.674 2.512 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001294165288 1061658179 /nfs/dbraw/zinc/65/81/79/1061658179.db2.gz INGKKHLJXFRCCA-FQEVSTJZSA-N 1 1 471.650 2.527 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948578 1061661756 /nfs/dbraw/zinc/66/17/56/1061661756.db2.gz SUECKZZGWZLOFV-QHCPKHFHSA-N 1 1 468.646 2.641 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286948790 1061663977 /nfs/dbraw/zinc/66/39/77/1061663977.db2.gz WVAYOCCAWAAHGF-REWPJTCUSA-N 1 1 498.031 2.562 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001289959504 1061664243 /nfs/dbraw/zinc/66/42/43/1061664243.db2.gz JOJCJFKAMGVKRK-UHFFFAOYSA-N 1 1 469.634 2.774 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)n1 ZINC001289971668 1061676338 /nfs/dbraw/zinc/67/63/38/1061676338.db2.gz FONYFQSIFXVZBL-HSZRJFAPSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)n1 ZINC001289971668 1061676348 /nfs/dbraw/zinc/67/63/48/1061676348.db2.gz FONYFQSIFXVZBL-HSZRJFAPSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001289982962 1061705467 /nfs/dbraw/zinc/70/54/67/1061705467.db2.gz IJLHHUGIZUTVKS-IBGZPJMESA-N 1 1 481.567 2.834 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@H+]1C ZINC001294202032 1061708188 /nfs/dbraw/zinc/70/81/88/1061708188.db2.gz PQVTWTYKWPDQML-APWZRJJASA-N 1 1 459.568 2.861 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)CC1 ZINC001294205532 1061710353 /nfs/dbraw/zinc/71/03/53/1061710353.db2.gz CWGGRLZBKJXUGG-UHFFFAOYSA-N 1 1 458.655 2.763 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294205966 1061710397 /nfs/dbraw/zinc/71/03/97/1061710397.db2.gz JFJUCOBZAAATCG-UHFFFAOYSA-N 1 1 487.693 2.721 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001294206973 1061711057 /nfs/dbraw/zinc/71/10/57/1061711057.db2.gz VEXIQIALOFPRNB-UHFFFAOYSA-N 1 1 491.681 2.987 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985612 1061711289 /nfs/dbraw/zinc/71/12/89/1061711289.db2.gz NULFJDGDOCVRRJ-FPOVZHCZSA-N 1 1 485.633 2.719 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985612 1061711312 /nfs/dbraw/zinc/71/13/12/1061711312.db2.gz NULFJDGDOCVRRJ-FPOVZHCZSA-N 1 1 485.633 2.719 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001294209617 1061712682 /nfs/dbraw/zinc/71/26/82/1061712682.db2.gz WWWLSZNSHLUODA-UHFFFAOYSA-N 1 1 458.655 2.932 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294209798 1061713282 /nfs/dbraw/zinc/71/32/82/1061713282.db2.gz AIBUPVQRYJRYNB-QGZVFWFLSA-N 1 1 460.545 2.756 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001289991513 1061715634 /nfs/dbraw/zinc/71/56/34/1061715634.db2.gz FYJRWXVGENDUAO-HSZRJFAPSA-N 1 1 485.677 2.552 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001289991516 1061717044 /nfs/dbraw/zinc/71/70/44/1061717044.db2.gz FYJRWXVGENDUAO-QHCPKHFHSA-N 1 1 485.677 2.552 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294212169 1061717890 /nfs/dbraw/zinc/71/78/90/1061717890.db2.gz ZNQRGDUFCGHDOQ-UHFFFAOYSA-N 1 1 473.666 2.617 20 0 JFADMO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001289997492 1061720965 /nfs/dbraw/zinc/72/09/65/1061720965.db2.gz FVVOTPNCNLRBLL-VXKWHMMOSA-N 1 1 454.619 2.913 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000640 1061724457 /nfs/dbraw/zinc/72/44/57/1061724457.db2.gz GDCCJYRKEHUVHK-XZOQPEGZSA-N 1 1 495.672 2.661 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001294217109 1061727305 /nfs/dbraw/zinc/72/73/05/1061727305.db2.gz ARZIXEWBISCYGF-OAQYLSRUSA-N 1 1 460.648 2.681 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294217346 1061728062 /nfs/dbraw/zinc/72/80/62/1061728062.db2.gz RRNPOMCAVZDAGA-UHFFFAOYSA-N 1 1 499.081 2.811 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294217397 1061728151 /nfs/dbraw/zinc/72/81/51/1061728151.db2.gz GTCLOMCUVSQLOJ-QUCCMNQESA-N 1 1 459.547 2.808 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294218799 1061729931 /nfs/dbraw/zinc/72/99/31/1061729931.db2.gz FTONPPCTLUOZBL-LJQANCHMSA-N 1 1 451.575 2.862 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294219065 1061730478 /nfs/dbraw/zinc/73/04/78/1061730478.db2.gz VXLSWGSSSHYVBI-LEWJYISDSA-N 1 1 470.618 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001294219591 1061731012 /nfs/dbraw/zinc/73/10/12/1061731012.db2.gz JWIIPFKCNDBUDN-SFHVURJKSA-N 1 1 453.595 2.647 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294221434 1061732065 /nfs/dbraw/zinc/73/20/65/1061732065.db2.gz SRUMCCSHRPPQBY-IBGZPJMESA-N 1 1 450.591 2.564 20 0 JFADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001290014469 1061736889 /nfs/dbraw/zinc/73/68/89/1061736889.db2.gz SAMOZBINROOLEC-HKUYNNGSSA-N 1 1 454.999 2.724 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294226565 1061739538 /nfs/dbraw/zinc/73/95/38/1061739538.db2.gz WLDYSEUAMSJYBM-LJQANCHMSA-N 1 1 491.681 2.791 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001294227132 1061741376 /nfs/dbraw/zinc/74/13/76/1061741376.db2.gz ATHBPKYSESIIEI-NQIIRXRSSA-N 1 1 461.680 2.523 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001294227133 1061741481 /nfs/dbraw/zinc/74/14/81/1061741481.db2.gz ATHBPKYSESIIEI-RXVVDRJESA-N 1 1 461.680 2.523 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001294228009 1061742243 /nfs/dbraw/zinc/74/22/43/1061742243.db2.gz KDXGBXPUWCBANM-QHCPKHFHSA-N 1 1 472.663 2.851 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294228999 1061744715 /nfs/dbraw/zinc/74/47/15/1061744715.db2.gz KVBBIMJSRUOZPX-IBGZPJMESA-N 1 1 477.654 2.578 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294228982 1061744862 /nfs/dbraw/zinc/74/48/62/1061744862.db2.gz KCQGIQKLXOGHNR-XMMPIXPASA-N 1 1 497.706 2.600 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294229000 1061745026 /nfs/dbraw/zinc/74/50/26/1061745026.db2.gz KVBBIMJSRUOZPX-LJQANCHMSA-N 1 1 477.654 2.578 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1 ZINC001294230416 1061747979 /nfs/dbraw/zinc/74/79/79/1061747979.db2.gz VZBHGEJQQKZVPL-UHFFFAOYSA-N 1 1 453.639 2.989 20 0 JFADMO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001294238842 1061751217 /nfs/dbraw/zinc/75/12/17/1061751217.db2.gz CLCBLFYMYWETGQ-UHFFFAOYSA-N 1 1 477.679 2.975 20 0 JFADMO CCCCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001294242129 1061751884 /nfs/dbraw/zinc/75/18/84/1061751884.db2.gz CSOXFOMAVLXDMT-VWLOTQADSA-N 1 1 467.618 2.758 20 0 JFADMO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286972322 1061753050 /nfs/dbraw/zinc/75/30/50/1061753050.db2.gz QRCDGZGVVUQKGZ-NRFANRHFSA-N 1 1 473.710 2.973 20 0 JFADMO Cc1cccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)CC2)c1C ZINC001290037339 1061753819 /nfs/dbraw/zinc/75/38/19/1061753819.db2.gz LCDUQCNOQIRNJK-OAQYLSRUSA-N 1 1 491.706 2.562 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001290041539 1061757202 /nfs/dbraw/zinc/75/72/02/1061757202.db2.gz GLPLLPJORGHAJP-IBGZPJMESA-N 1 1 453.635 2.696 20 0 JFADMO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001294255524 1061760098 /nfs/dbraw/zinc/76/00/98/1061760098.db2.gz KIWKVFBTIXXTTN-BGYRXZFFSA-N 1 1 454.623 2.720 20 0 JFADMO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001290044841 1061761918 /nfs/dbraw/zinc/76/19/18/1061761918.db2.gz RJNHJJBRCVRBNM-NRFANRHFSA-N 1 1 483.661 2.774 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1 ZINC001286973466 1061762317 /nfs/dbraw/zinc/76/23/17/1061762317.db2.gz RQCGIMJJHRJDIY-CABCVRRESA-N 1 1 487.468 2.779 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCC[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC001286974446 1061768399 /nfs/dbraw/zinc/76/83/99/1061768399.db2.gz FYGGNSNLLKHKFJ-LEWJYISDSA-N 1 1 496.681 2.970 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC001286974446 1061768419 /nfs/dbraw/zinc/76/84/19/1061768419.db2.gz FYGGNSNLLKHKFJ-LEWJYISDSA-N 1 1 496.681 2.970 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290053095 1061770847 /nfs/dbraw/zinc/77/08/47/1061770847.db2.gz VRAWHPJINPFCRA-GMAHTHKFSA-N 1 1 457.619 2.995 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001286976412 1061783146 /nfs/dbraw/zinc/78/31/46/1061783146.db2.gz ONVYZUMMXDRMKK-HBFSDRIKSA-N 1 1 462.664 2.642 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286976414 1061783998 /nfs/dbraw/zinc/78/39/98/1061783998.db2.gz ONVYZUMMXDRMKK-QWFCFKBJSA-N 1 1 462.664 2.642 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCC1)S(C)(=O)=O ZINC001286976914 1061787924 /nfs/dbraw/zinc/78/79/24/1061787924.db2.gz KEOHYUJWUPUWLR-RBUKOAKNSA-N 1 1 458.632 2.635 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290064433 1061788848 /nfs/dbraw/zinc/78/88/48/1061788848.db2.gz QRXMPOUSEZQXPL-OAQYLSRUSA-N 1 1 484.645 2.629 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001290066647 1061791014 /nfs/dbraw/zinc/79/10/14/1061791014.db2.gz OHRHPXSVJBHDCB-KNQAVFIVSA-N 1 1 483.535 2.780 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001286977647 1061792104 /nfs/dbraw/zinc/79/21/04/1061792104.db2.gz IACVDTPIZHSVIX-LVCYWYKZSA-N 1 1 456.616 2.901 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001286977651 1061792182 /nfs/dbraw/zinc/79/21/82/1061792182.db2.gz IACVDTPIZHSVIX-OPYAIIAOSA-N 1 1 456.616 2.901 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001294306293 1061794282 /nfs/dbraw/zinc/79/42/82/1061794282.db2.gz HXWMYYCBAQQPNH-JOCHJYFZSA-N 1 1 487.693 2.863 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001290069635 1061794868 /nfs/dbraw/zinc/79/48/68/1061794868.db2.gz OOGZUNKXSMUVLA-UHFFFAOYSA-N 1 1 463.586 2.628 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294308780 1061797165 /nfs/dbraw/zinc/79/71/65/1061797165.db2.gz VAAOUBVHZSSUSV-MSOLQXFVSA-N 1 1 472.556 2.936 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294309171 1061798686 /nfs/dbraw/zinc/79/86/86/1061798686.db2.gz ZXXMNDOADQDIEV-UYAOXDASSA-N 1 1 461.655 2.518 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCCN2CCOCC2)c1 ZINC001290071851 1061799881 /nfs/dbraw/zinc/79/98/81/1061799881.db2.gz VFXFCJVJDQBGJD-UHFFFAOYSA-N 1 1 456.635 2.808 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286978553 1061800057 /nfs/dbraw/zinc/80/00/57/1061800057.db2.gz VVFPAKSOSGPYKF-KNKQGSTJSA-N 1 1 489.686 2.877 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001286978553 1061800081 /nfs/dbraw/zinc/80/00/81/1061800081.db2.gz VVFPAKSOSGPYKF-KNKQGSTJSA-N 1 1 489.686 2.877 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311041 1061801668 /nfs/dbraw/zinc/80/16/68/1061801668.db2.gz JWOUXVPUZVGCRV-FQEVSTJZSA-N 1 1 452.669 2.718 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311800 1061802342 /nfs/dbraw/zinc/80/23/42/1061802342.db2.gz OSDAYWAZBVOMET-IFMALSPDSA-N 1 1 496.722 2.735 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001294312039 1061803148 /nfs/dbraw/zinc/80/31/48/1061803148.db2.gz SBSKTEPKLVZLNS-IPMKNSEASA-N 1 1 485.599 2.957 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290075510 1061804630 /nfs/dbraw/zinc/80/46/30/1061804630.db2.gz YERGWOPBAXMWBR-QFIPXVFZSA-N 1 1 492.615 2.909 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294313211 1061805358 /nfs/dbraw/zinc/80/53/58/1061805358.db2.gz BLDXXNKWNFHHET-DHIUTWEWSA-N 1 1 468.646 2.783 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001294315528 1061807545 /nfs/dbraw/zinc/80/75/45/1061807545.db2.gz KCEATAXXNZNBKU-DOIPELPJSA-N 1 1 467.680 2.839 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294315672 1061808196 /nfs/dbraw/zinc/80/81/96/1061808196.db2.gz COUPAPPLOSJJAL-BHIFYINESA-N 1 1 487.693 2.767 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294316300 1061809752 /nfs/dbraw/zinc/80/97/52/1061809752.db2.gz FGFUFSNKTSLROW-VQTJNVASSA-N 1 1 455.669 2.873 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294316298 1061809830 /nfs/dbraw/zinc/80/98/30/1061809830.db2.gz FGFUFSNKTSLROW-PMACEKPBSA-N 1 1 455.669 2.873 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 ZINC001294316328 1061810538 /nfs/dbraw/zinc/81/05/38/1061810538.db2.gz FWBFGXLTLLEKSB-FQEVSTJZSA-N 1 1 470.618 2.847 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294316301 1061810627 /nfs/dbraw/zinc/81/06/27/1061810627.db2.gz FGFUFSNKTSLROW-WOJBJXKFSA-N 1 1 455.669 2.873 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001294318454 1061817530 /nfs/dbraw/zinc/81/75/30/1061817530.db2.gz SAPMIJVSOXYKFH-FQEVSTJZSA-N 1 1 470.618 2.799 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294318607 1061818362 /nfs/dbraw/zinc/81/83/62/1061818362.db2.gz URKOWOXRWJTDDI-FGZHOGPDSA-N 1 1 491.706 2.808 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294322031 1061825766 /nfs/dbraw/zinc/82/57/66/1061825766.db2.gz PKLOMPFNKVBPCP-PDOGEWKWSA-N 1 1 490.052 2.581 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001294322684 1061826550 /nfs/dbraw/zinc/82/65/50/1061826550.db2.gz UEAJOQPTLXMEDW-DHLKQENFSA-N 1 1 481.689 2.926 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294325096 1061832563 /nfs/dbraw/zinc/83/25/63/1061832563.db2.gz JDHINGUNHXVERT-YPAWHYETSA-N 1 1 498.676 2.613 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290106738 1061834729 /nfs/dbraw/zinc/83/47/29/1061834729.db2.gz DFJAESYVEXMVPK-QFIPXVFZSA-N 1 1 464.618 2.529 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286983390 1061834924 /nfs/dbraw/zinc/83/49/24/1061834924.db2.gz YRMQICAQDYZQCB-GOSISDBHSA-N 1 1 457.623 2.515 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001294328444 1061845261 /nfs/dbraw/zinc/84/52/61/1061845261.db2.gz DBFUOKZRJCUIJG-FNAHDJPLSA-N 1 1 487.693 2.871 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001290120222 1061850114 /nfs/dbraw/zinc/85/01/14/1061850114.db2.gz HYSRFPGSTYKBNJ-QUCCMNQESA-N 1 1 454.619 2.845 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCOC3)n2CCn2cc[nH+]c2C)C1 ZINC001294331157 1061852382 /nfs/dbraw/zinc/85/23/82/1061852382.db2.gz SBJHOCBZGWFNET-NRSPTQNISA-N 1 1 457.623 2.898 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCn2cc[nH+]c2C)C1 ZINC001294331156 1061852455 /nfs/dbraw/zinc/85/24/55/1061852455.db2.gz SBJHOCBZGWFNET-HMXCVIKNSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001290125107 1061855853 /nfs/dbraw/zinc/85/58/53/1061855853.db2.gz XXJYEMZFKVPWKJ-NRFANRHFSA-N 1 1 474.675 2.846 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294332911 1061862479 /nfs/dbraw/zinc/86/24/79/1061862479.db2.gz LGRZWQSSJMFMEG-VHFRWLAGSA-N 1 1 498.672 2.753 20 0 JFADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286987567 1061871447 /nfs/dbraw/zinc/87/14/47/1061871447.db2.gz WZFVBQAFUQLUFN-FPOVZHCZSA-N 1 1 460.667 2.771 20 0 JFADMO CC(C)(C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001286987869 1061873061 /nfs/dbraw/zinc/87/30/61/1061873061.db2.gz LKHTYIXVPOZVOE-UHFFFAOYSA-N 1 1 453.616 2.886 20 0 JFADMO CC(C)(C)c1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC[NH+]2CCCCC2)cc1 ZINC001286988601 1061876978 /nfs/dbraw/zinc/87/69/78/1061876978.db2.gz FEWFNPBNYNBHNK-UHFFFAOYSA-N 1 1 475.659 2.875 20 0 JFADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001286988674 1061877940 /nfs/dbraw/zinc/87/79/40/1061877940.db2.gz CNVXSXWGVXRIPI-BWKNWUBXSA-N 1 1 456.635 2.752 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001286988656 1061878113 /nfs/dbraw/zinc/87/81/13/1061878113.db2.gz HCGXIZLMPVRURA-UHFFFAOYSA-N 1 1 472.659 2.586 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCn2cc[nH+]c2C)C1 ZINC001294339250 1061883412 /nfs/dbraw/zinc/88/34/12/1061883412.db2.gz ZURATBMNGMLSBA-DENIHFKCSA-N 1 1 481.649 2.866 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001294341775 1061890731 /nfs/dbraw/zinc/89/07/31/1061890731.db2.gz JZVAMEUGQYSRPE-TZIWHRDSSA-N 1 1 456.639 2.686 20 0 JFADMO Cc1nnsc1Cn1c(Cc2ccccc2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290151942 1061893323 /nfs/dbraw/zinc/89/33/23/1061893323.db2.gz CARNIKIQSOBAGA-HDICACEKSA-N 1 1 455.632 2.931 20 0 JFADMO Cc1nnsc1Cn1c(Cc2ccccc2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290151942 1061893341 /nfs/dbraw/zinc/89/33/41/1061893341.db2.gz CARNIKIQSOBAGA-HDICACEKSA-N 1 1 455.632 2.931 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(C)(C)O ZINC001290163952 1061903284 /nfs/dbraw/zinc/90/32/84/1061903284.db2.gz CSNIHMVUNRCXPR-UHFFFAOYSA-N 1 1 454.663 2.943 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001290166829 1061910473 /nfs/dbraw/zinc/91/04/73/1061910473.db2.gz LBPRUGKSSHWTIE-VXKWHMMOSA-N 1 1 488.702 2.769 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001294349148 1061913319 /nfs/dbraw/zinc/91/33/19/1061913319.db2.gz NBTMUBAQSYBLSJ-FGZHOGPDSA-N 1 1 453.635 2.738 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290174369 1061920220 /nfs/dbraw/zinc/92/02/20/1061920220.db2.gz MOKBRRYSXWMEMR-XMMPIXPASA-N 1 1 495.716 2.944 20 0 JFADMO Cc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001290179841 1061926724 /nfs/dbraw/zinc/92/67/24/1061926724.db2.gz HCQZINCJCCVNMU-FQEVSTJZSA-N 1 1 454.619 2.657 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001290184058 1061929014 /nfs/dbraw/zinc/92/90/14/1061929014.db2.gz WPWHDPXAHVBFBP-HXUWFJFHSA-N 1 1 459.660 2.924 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1(O)CCCCC1 ZINC001287008657 1061935081 /nfs/dbraw/zinc/93/50/81/1061935081.db2.gz CDLXRUQCAWMHRP-NRFANRHFSA-N 1 1 471.646 2.833 20 0 JFADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290202870 1061945092 /nfs/dbraw/zinc/94/50/92/1061945092.db2.gz OCLHECURAZNSPN-FQEVSTJZSA-N 1 1 470.618 2.554 20 0 JFADMO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCOCC1(C)C ZINC001290202870 1061945112 /nfs/dbraw/zinc/94/51/12/1061945112.db2.gz OCLHECURAZNSPN-FQEVSTJZSA-N 1 1 470.618 2.554 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290204725 1061948322 /nfs/dbraw/zinc/94/83/22/1061948322.db2.gz NNGHMNFQJCLDFP-VXKWHMMOSA-N 1 1 468.646 2.995 20 0 JFADMO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294375744 1061948902 /nfs/dbraw/zinc/94/89/02/1061948902.db2.gz BPYHCBNXBFLWEP-CVDCTZTESA-N 1 1 469.634 2.588 20 0 JFADMO C[NH+](C)CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001294386854 1061958550 /nfs/dbraw/zinc/95/85/50/1061958550.db2.gz NMCXETNUDSDLHK-KRWDZBQOSA-N 1 1 458.671 2.511 20 0 JFADMO CC(C)Oc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)[C@@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC001294386755 1061958678 /nfs/dbraw/zinc/95/86/78/1061958678.db2.gz JYQYZTXUQNJHDS-QGZVFWFLSA-N 1 1 451.614 2.788 20 0 JFADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001290217132 1061962159 /nfs/dbraw/zinc/96/21/59/1061962159.db2.gz FRPYZUQFTHBGQI-LJQANCHMSA-N 1 1 474.675 2.878 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001287030995 1061982822 /nfs/dbraw/zinc/98/28/22/1061982822.db2.gz DFDQKMRMQILLCC-UHFFFAOYSA-N 1 1 495.672 2.585 20 0 JFADMO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001294434576 1061988123 /nfs/dbraw/zinc/98/81/23/1061988123.db2.gz GRNJMOCNGYWJKV-SFHVURJKSA-N 1 1 463.652 2.585 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)C1 ZINC001294453914 1061999315 /nfs/dbraw/zinc/99/93/15/1061999315.db2.gz JRLYTKDHRSIBNB-GOSISDBHSA-N 1 1 452.563 2.747 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294454770 1062000585 /nfs/dbraw/zinc/00/05/85/1062000585.db2.gz RTLHPGXHUMNYDD-LJQANCHMSA-N 1 1 491.600 2.632 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001294455069 1062001196 /nfs/dbraw/zinc/00/11/96/1062001196.db2.gz CBTUTHUNRWDPGZ-RDJZCZTQSA-N 1 1 467.412 2.619 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455081 1062001227 /nfs/dbraw/zinc/00/12/27/1062001227.db2.gz CDCYYZHIVMTZFS-BVAGGSTKSA-N 1 1 490.693 2.745 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294455088 1062001858 /nfs/dbraw/zinc/00/18/58/1062001858.db2.gz CGOYNWHCGHMEHO-LJQANCHMSA-N 1 1 462.664 2.868 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCCN1CCCCCC1=O ZINC001287036975 1062003550 /nfs/dbraw/zinc/00/35/50/1062003550.db2.gz ZYKMGUWRMCSMSB-NRFANRHFSA-N 1 1 460.667 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457560 1062005056 /nfs/dbraw/zinc/00/50/56/1062005056.db2.gz NZMPLLDDJCHAHX-ROUUACIJSA-N 1 1 456.570 2.902 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)CC1 ZINC001287041339 1062008861 /nfs/dbraw/zinc/00/88/61/1062008861.db2.gz IVCSBLHCPKWNRF-ROUUACIJSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 ZINC001294461751 1062011233 /nfs/dbraw/zinc/01/12/33/1062011233.db2.gz DAIXWENWQOOPPL-SFHVURJKSA-N 1 1 454.623 2.805 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)CC1 ZINC001287042425 1062012241 /nfs/dbraw/zinc/01/22/41/1062012241.db2.gz NIUGILGWDTWIIO-UHFFFAOYSA-N 1 1 482.633 2.542 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCO)CC1 ZINC001287042451 1062012491 /nfs/dbraw/zinc/01/24/91/1062012491.db2.gz OBPCYFOFMXKBFX-UHFFFAOYSA-N 1 1 463.648 2.822 20 0 JFADMO CC[N@@H+]1CCc2nc(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)sc2C1 ZINC001290284610 1062012680 /nfs/dbraw/zinc/01/26/80/1062012680.db2.gz VIXCTGYPNLLTRE-QGZVFWFLSA-N 1 1 453.609 2.515 20 0 JFADMO CC[N@H+]1CCc2nc(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)sc2C1 ZINC001290284610 1062012704 /nfs/dbraw/zinc/01/27/04/1062012704.db2.gz VIXCTGYPNLLTRE-QGZVFWFLSA-N 1 1 453.609 2.515 20 0 JFADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCS(C)(=O)=O)CC1 ZINC001287042614 1062012705 /nfs/dbraw/zinc/01/27/05/1062012705.db2.gz DXZGRBOBNSFSOU-UHFFFAOYSA-N 1 1 471.574 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294463065 1062013209 /nfs/dbraw/zinc/01/32/09/1062013209.db2.gz OIBDHQFLWYFDTB-OALUTQOASA-N 1 1 461.632 2.557 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294463064 1062013479 /nfs/dbraw/zinc/01/34/79/1062013479.db2.gz OIBDHQFLWYFDTB-MOPGFXCFSA-N 1 1 461.632 2.557 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)CC1 ZINC001287042724 1062013689 /nfs/dbraw/zinc/01/36/89/1062013689.db2.gz VMMIDOMYMYVLNI-UHFFFAOYSA-N 1 1 486.571 2.823 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001294464159 1062014208 /nfs/dbraw/zinc/01/42/08/1062014208.db2.gz VBAWOOLGNQEMSG-FQEVSTJZSA-N 1 1 468.627 2.982 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)C1 ZINC001294467357 1062016101 /nfs/dbraw/zinc/01/61/01/1062016101.db2.gz FPKYKGNNZUVXIF-IOMROCGXSA-N 1 1 458.582 2.924 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468117 1062018453 /nfs/dbraw/zinc/01/84/53/1062018453.db2.gz KUYYVRBGWQXMEK-LSDHHAIUSA-N 1 1 469.599 2.601 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001294468801 1062019277 /nfs/dbraw/zinc/01/92/77/1062019277.db2.gz QDUHYEVAFDTLCX-UXPWSPDFSA-N 1 1 478.663 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468768 1062019423 /nfs/dbraw/zinc/01/94/23/1062019423.db2.gz PUDHIOJYRNDOBS-OALUTQOASA-N 1 1 478.688 2.514 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001294468799 1062019615 /nfs/dbraw/zinc/01/96/15/1062019615.db2.gz QDUHYEVAFDTLCX-FFZOFVMBSA-N 1 1 478.663 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468980 1062020010 /nfs/dbraw/zinc/02/00/10/1062020010.db2.gz SHCHATGCRKOMKC-IRLDBZIGSA-N 1 1 454.619 2.748 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001294469409 1062021927 /nfs/dbraw/zinc/02/19/27/1062021927.db2.gz YSSAAYYLSWZIIF-DFIYOIEZSA-N 1 1 494.681 2.916 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294469722 1062023032 /nfs/dbraw/zinc/02/30/32/1062023032.db2.gz GBSQKETZZDJDKV-OALUTQOASA-N 1 1 479.622 2.599 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294469724 1062023250 /nfs/dbraw/zinc/02/32/50/1062023250.db2.gz GBSQKETZZDJDKV-RTBURBONSA-N 1 1 479.622 2.599 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)C1 ZINC001294469923 1062023420 /nfs/dbraw/zinc/02/34/20/1062023420.db2.gz ILMJTXDHHYYRIZ-HKBOAZHASA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)C1 ZINC001294470646 1062024990 /nfs/dbraw/zinc/02/49/90/1062024990.db2.gz DGLPQXIMHOQMKE-LJQANCHMSA-N 1 1 462.664 2.734 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001287045789 1062025451 /nfs/dbraw/zinc/02/54/51/1062025451.db2.gz NVSROGOYPXMNMN-UHFFFAOYSA-N 1 1 462.664 2.788 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287045935 1062026095 /nfs/dbraw/zinc/02/60/95/1062026095.db2.gz HXBACWSFHACDJI-SFHVURJKSA-N 1 1 458.582 2.548 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294474227 1062026567 /nfs/dbraw/zinc/02/65/67/1062026567.db2.gz PCKNOWZBJYDNIT-IFMALSPDSA-N 1 1 492.665 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294474160 1062026825 /nfs/dbraw/zinc/02/68/25/1062026825.db2.gz NLKRJIBAEHIHRJ-ZWKOTPCHSA-N 1 1 481.613 2.750 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046481 1062027553 /nfs/dbraw/zinc/02/75/53/1062027553.db2.gz RQBKKKQRHXPWGW-FQEVSTJZSA-N 1 1 495.594 2.838 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046535 1062029069 /nfs/dbraw/zinc/02/90/69/1062029069.db2.gz STHDZWWJUGEZJU-QZTJIDSGSA-N 1 1 474.572 2.703 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 ZINC001287046597 1062029673 /nfs/dbraw/zinc/02/96/73/1062029673.db2.gz VJCJVQVBUREQSG-KRWDZBQOSA-N 1 1 452.694 2.560 20 0 JFADMO Cc1cnc(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290301176 1062030132 /nfs/dbraw/zinc/03/01/32/1062030132.db2.gz NIVBHIUHPFVJTD-QGZVFWFLSA-N 1 1 483.708 2.768 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001287046845 1062030529 /nfs/dbraw/zinc/03/05/29/1062030529.db2.gz WKUXPRXEYGSYTJ-NRFANRHFSA-N 1 1 490.674 2.809 20 0 JFADMO CCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001294489286 1062032820 /nfs/dbraw/zinc/03/28/20/1062032820.db2.gz PQPKLKFAYBVYAE-IBGZPJMESA-N 1 1 477.679 2.831 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 ZINC001294503070 1062038904 /nfs/dbraw/zinc/03/89/04/1062038904.db2.gz SMFJZHHMACZWRI-DFBJGRDBSA-N 1 1 453.583 2.619 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001294505198 1062040170 /nfs/dbraw/zinc/04/01/70/1062040170.db2.gz IITYATBBGOFOMB-FQEVSTJZSA-N 1 1 462.561 2.678 20 0 JFADMO Cc1csc([C@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001290318981 1062043620 /nfs/dbraw/zinc/04/36/20/1062043620.db2.gz PQEFELHNMUXBOR-ROUUACIJSA-N 1 1 495.719 2.912 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294506744 1062044691 /nfs/dbraw/zinc/04/46/91/1062044691.db2.gz VHUKZWPDCPSAGD-UHFFFAOYSA-N 1 1 469.512 2.551 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294508170 1062046166 /nfs/dbraw/zinc/04/61/66/1062046166.db2.gz ZICDMLVNTAYMDV-UHFFFAOYSA-N 1 1 469.055 2.848 20 0 JFADMO COc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001294508809 1062046745 /nfs/dbraw/zinc/04/67/45/1062046745.db2.gz AEVNTBMSMYLLFB-HXUWFJFHSA-N 1 1 455.555 2.565 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294514257 1062049265 /nfs/dbraw/zinc/04/92/65/1062049265.db2.gz PQVNTXUDRVMASX-QHCPKHFHSA-N 1 1 461.632 2.701 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294514766 1062049665 /nfs/dbraw/zinc/04/96/65/1062049665.db2.gz CBGINJXCXSUGBC-UHFFFAOYSA-N 1 1 450.591 2.531 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001294514738 1062049982 /nfs/dbraw/zinc/04/99/82/1062049982.db2.gz BQIVTWZYIJNLJO-QFIPXVFZSA-N 1 1 481.645 2.702 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001294514818 1062050396 /nfs/dbraw/zinc/05/03/96/1062050396.db2.gz CNGHVYUGYGHUSR-OAQYLSRUSA-N 1 1 473.666 2.626 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294515461 1062051596 /nfs/dbraw/zinc/05/15/96/1062051596.db2.gz GURIFXZYYIQZJX-IBGZPJMESA-N 1 1 494.644 2.635 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294515868 1062052958 /nfs/dbraw/zinc/05/29/58/1062052958.db2.gz KHLJPJBDLUIDGU-OAQYLSRUSA-N 1 1 473.666 2.580 20 0 JFADMO CC(C)(C)NC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287052176 1062054875 /nfs/dbraw/zinc/05/48/75/1062054875.db2.gz YRPGOBGVKZENDO-UHFFFAOYSA-N 1 1 475.682 2.752 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290335780 1062055070 /nfs/dbraw/zinc/05/50/70/1062055070.db2.gz BVLDIUNAYARIFY-AEFFLSMTSA-N 1 1 451.662 2.918 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294519381 1062056149 /nfs/dbraw/zinc/05/61/49/1062056149.db2.gz DJUOIJQJGXCKOU-JOCHJYFZSA-N 1 1 488.702 2.856 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001294522880 1062058617 /nfs/dbraw/zinc/05/86/17/1062058617.db2.gz WGHLZCLUXWSZRR-DXIQSLLYSA-N 1 1 459.591 2.763 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@H]1CC ZINC001294523362 1062060209 /nfs/dbraw/zinc/06/02/09/1062060209.db2.gz YKICXLUPXBYUFE-HXUWFJFHSA-N 1 1 491.681 2.839 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294523790 1062060967 /nfs/dbraw/zinc/06/09/67/1062060967.db2.gz YENIMLMLFKAUHK-UHFFFAOYSA-N 1 1 463.577 2.731 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524801 1062061504 /nfs/dbraw/zinc/06/15/04/1062061504.db2.gz RCTWGEZIBZWQJV-ZJSXRUAMSA-N 1 1 467.662 2.666 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001294528089 1062065086 /nfs/dbraw/zinc/06/50/86/1062065086.db2.gz RZFCNJVAMDYSAB-UHFFFAOYSA-N 1 1 471.679 2.963 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294528843 1062065692 /nfs/dbraw/zinc/06/56/92/1062065692.db2.gz GPQDSVCOOAWIHQ-OAQYLSRUSA-N 1 1 455.651 2.656 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294529953 1062066302 /nfs/dbraw/zinc/06/63/02/1062066302.db2.gz SNPYOCDWBJJQQV-QGZVFWFLSA-N 1 1 460.545 2.756 20 0 JFADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372391 1062076498 /nfs/dbraw/zinc/07/64/98/1062076498.db2.gz MHEPTDZWSXKZBE-IRXDYDNUSA-N 1 1 454.017 2.945 20 0 JFADMO CCOC(Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554965 1062077369 /nfs/dbraw/zinc/07/73/69/1062077369.db2.gz SSFWCSSKRJBZFM-UNMCSNQZSA-N 1 1 455.603 2.991 20 0 JFADMO CCCN(CCC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001294561996 1062079263 /nfs/dbraw/zinc/07/92/63/1062079263.db2.gz OWURKVOTLWLQPI-UHFFFAOYSA-N 1 1 467.618 2.929 20 0 JFADMO CCCN(CCC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001294561996 1062079284 /nfs/dbraw/zinc/07/92/84/1062079284.db2.gz OWURKVOTLWLQPI-UHFFFAOYSA-N 1 1 467.618 2.929 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2CCOCC2)cs1 ZINC001290388702 1062092748 /nfs/dbraw/zinc/09/27/48/1062092748.db2.gz VGYLCFUYWLYOGD-UHFFFAOYSA-N 1 1 462.664 2.855 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290393204 1062095968 /nfs/dbraw/zinc/09/59/68/1062095968.db2.gz XEXOBERIASWJHJ-MRXNPFEDSA-N 1 1 453.616 2.853 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](C)C[NH+]2CCOCC2)cs1 ZINC001290397529 1062098006 /nfs/dbraw/zinc/09/80/06/1062098006.db2.gz QBVRJOOSFWXVPM-HNNXBMFYSA-N 1 1 479.054 2.625 20 0 JFADMO CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001294588784 1062101175 /nfs/dbraw/zinc/10/11/75/1062101175.db2.gz JODIGQBLNAHQOU-KRWDZBQOSA-N 1 1 461.010 2.961 20 0 JFADMO CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001294593365 1062104331 /nfs/dbraw/zinc/10/43/31/1062104331.db2.gz ZYQDTLZETGRSPE-UHFFFAOYSA-N 1 1 480.455 2.837 20 0 JFADMO CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001294593365 1062104344 /nfs/dbraw/zinc/10/43/44/1062104344.db2.gz ZYQDTLZETGRSPE-UHFFFAOYSA-N 1 1 480.455 2.837 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001290403382 1062109786 /nfs/dbraw/zinc/10/97/86/1062109786.db2.gz OBYLQYLCMKELSF-UHFFFAOYSA-N 1 1 450.653 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCOC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001290403382 1062109802 /nfs/dbraw/zinc/10/98/02/1062109802.db2.gz OBYLQYLCMKELSF-UHFFFAOYSA-N 1 1 450.653 2.996 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294603372 1062113491 /nfs/dbraw/zinc/11/34/91/1062113491.db2.gz ZGDCPTCROYAJTQ-GHTZIAJQSA-N 1 1 470.618 2.751 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001290404340 1062114198 /nfs/dbraw/zinc/11/41/98/1062114198.db2.gz ICUBBQRPUIXROE-QZTJIDSGSA-N 1 1 459.664 2.955 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294603373 1062114604 /nfs/dbraw/zinc/11/46/04/1062114604.db2.gz ZGDCPTCROYAJTQ-NQIIRXRSSA-N 1 1 470.618 2.751 20 0 JFADMO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001294617080 1062126345 /nfs/dbraw/zinc/12/63/45/1062126345.db2.gz NIPDQWFIQAPKKK-VQTJNVASSA-N 1 1 480.654 2.934 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290410478 1062127149 /nfs/dbraw/zinc/12/71/49/1062127149.db2.gz DUSBQKWAIJFJEC-GDBMZVCRSA-N 1 1 485.580 2.623 20 0 JFADMO CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294623788 1062131522 /nfs/dbraw/zinc/13/15/22/1062131522.db2.gz CYBJTCMYZGXWFN-UWJYYQICSA-N 1 1 461.010 2.909 20 0 JFADMO Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001290415594 1062135393 /nfs/dbraw/zinc/13/53/93/1062135393.db2.gz HRLNQHRYPLWBJI-UHFFFAOYSA-N 1 1 452.628 2.719 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](c3nccs3)C2)C1 ZINC001294633152 1062142202 /nfs/dbraw/zinc/14/22/02/1062142202.db2.gz NKZCPDYVRFJNTM-HKUYNNGSSA-N 1 1 475.663 2.963 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCSC(C)C)cs1 ZINC001290418536 1062151964 /nfs/dbraw/zinc/15/19/64/1062151964.db2.gz UKHMYGZKJBCHLH-GOSISDBHSA-N 1 1 450.678 2.934 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001294639420 1062155467 /nfs/dbraw/zinc/15/54/67/1062155467.db2.gz UWYRURIVLMOQOG-KURKYZTESA-N 1 1 464.636 2.523 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294640509 1062157425 /nfs/dbraw/zinc/15/74/25/1062157425.db2.gz AXYSZPWSLHCNCC-CEXWTWQISA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294640632 1062157443 /nfs/dbraw/zinc/15/74/43/1062157443.db2.gz DSPRXPCNNDQAQW-GMAHTHKFSA-N 1 1 468.646 2.847 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001290422219 1062161480 /nfs/dbraw/zinc/16/14/80/1062161480.db2.gz WNYSFSIUXKVETK-QFBILLFUSA-N 1 1 480.704 2.768 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290425245 1062171600 /nfs/dbraw/zinc/17/16/00/1062171600.db2.gz XFVIOPDVYXHKIG-SCTDSRPQSA-N 1 1 489.690 2.613 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)C2)cc(OC)c1 ZINC001294646162 1062175314 /nfs/dbraw/zinc/17/53/14/1062175314.db2.gz QVZRDEODUHRBIY-LJQANCHMSA-N 1 1 454.527 2.625 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)C2)cc(OC)c1 ZINC001294646162 1062175330 /nfs/dbraw/zinc/17/53/30/1062175330.db2.gz QVZRDEODUHRBIY-LJQANCHMSA-N 1 1 454.527 2.625 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646667 1062177395 /nfs/dbraw/zinc/17/73/95/1062177395.db2.gz NJANAYVORCTGRH-NRFANRHFSA-N 1 1 474.675 2.711 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294646727 1062178579 /nfs/dbraw/zinc/17/85/79/1062178579.db2.gz NWUWDLMEUHRVOD-ICSRJNTNSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001294647010 1062180735 /nfs/dbraw/zinc/18/07/35/1062180735.db2.gz QTSMHHKLHNGSTM-NHCUHLMSSA-N 1 1 454.619 2.990 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647492 1062183935 /nfs/dbraw/zinc/18/39/35/1062183935.db2.gz DLJDKGHIRQTXQN-MRXNPFEDSA-N 1 1 478.439 2.873 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287070172 1062189211 /nfs/dbraw/zinc/18/92/11/1062189211.db2.gz QXUBEETWYHBORV-FQEVSTJZSA-N 1 1 491.036 2.958 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287070172 1062189222 /nfs/dbraw/zinc/18/92/22/1062189222.db2.gz QXUBEETWYHBORV-FQEVSTJZSA-N 1 1 491.036 2.958 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290431320 1062190751 /nfs/dbraw/zinc/19/07/51/1062190751.db2.gz HOARXFBMYSEJST-SFHVURJKSA-N 1 1 471.606 2.607 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001294649394 1062191120 /nfs/dbraw/zinc/19/11/20/1062191120.db2.gz BAAZLSJBTHKCOJ-HNNXBMFYSA-N 1 1 451.497 2.815 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001294657998 1062203173 /nfs/dbraw/zinc/20/31/73/1062203173.db2.gz NGPIAPLVTSEPAH-PCCBWWKXSA-N 1 1 492.665 2.934 20 0 JFADMO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC001290435835 1062206244 /nfs/dbraw/zinc/20/62/44/1062206244.db2.gz DHQSUGQMSUXMKU-AREMUKBSSA-N 1 1 453.583 2.528 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC001290439812 1062207974 /nfs/dbraw/zinc/20/79/74/1062207974.db2.gz JFLNAKMZYVOHQG-QGZVFWFLSA-N 1 1 463.721 2.849 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001294661925 1062213584 /nfs/dbraw/zinc/21/35/84/1062213584.db2.gz CNNURWAIYXRRHD-GOTSBHOMSA-N 1 1 467.662 2.984 20 0 JFADMO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001294662303 1062214376 /nfs/dbraw/zinc/21/43/76/1062214376.db2.gz KCWABJANJPDYAX-OAQYLSRUSA-N 1 1 455.651 2.543 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001294663773 1062216613 /nfs/dbraw/zinc/21/66/13/1062216613.db2.gz SIDNILSIKZAIRT-OAQYLSRUSA-N 1 1 453.635 2.737 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294663819 1062217167 /nfs/dbraw/zinc/21/71/67/1062217167.db2.gz TUSIZUCDIOYINM-JOCHJYFZSA-N 1 1 453.635 2.691 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287074220 1062217886 /nfs/dbraw/zinc/21/78/86/1062217886.db2.gz UWJXPAGQHSNFTL-KDURUIRLSA-N 1 1 492.665 2.775 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287074220 1062217903 /nfs/dbraw/zinc/21/79/03/1062217903.db2.gz UWJXPAGQHSNFTL-KDURUIRLSA-N 1 1 492.665 2.775 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001294668808 1062225231 /nfs/dbraw/zinc/22/52/31/1062225231.db2.gz DEJPMMDXGPPYHE-NLFFAJNJSA-N 1 1 492.665 2.719 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294670302 1062227454 /nfs/dbraw/zinc/22/74/54/1062227454.db2.gz RGJSOQRNZGRDEW-RTWAWAEBSA-N 1 1 454.619 2.873 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294670635 1062227875 /nfs/dbraw/zinc/22/78/75/1062227875.db2.gz SWAZFTPEVKMLFY-OAQYLSRUSA-N 1 1 459.660 2.809 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670350 1062228164 /nfs/dbraw/zinc/22/81/64/1062228164.db2.gz SMKLCANDIYSGOB-NHCUHLMSSA-N 1 1 475.659 2.829 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCCN(CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230349 /nfs/dbraw/zinc/23/03/49/1062230349.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 1 1 461.699 2.688 20 0 JFADMO CC(C)(C)OCCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001287083080 1062243329 /nfs/dbraw/zinc/24/33/29/1062243329.db2.gz WEFBUZKOMGDZCK-UHFFFAOYSA-N 1 1 486.636 2.958 20 0 JFADMO CC(C)(C)OCCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001287083080 1062243353 /nfs/dbraw/zinc/24/33/53/1062243353.db2.gz WEFBUZKOMGDZCK-UHFFFAOYSA-N 1 1 486.636 2.958 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294692375 1062251724 /nfs/dbraw/zinc/25/17/24/1062251724.db2.gz ARVQTCNRGFEJPB-NHCUHLMSSA-N 1 1 482.633 2.542 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001294694169 1062253896 /nfs/dbraw/zinc/25/38/96/1062253896.db2.gz JKMHRBADMPPCLT-QFIPXVFZSA-N 1 1 460.648 2.503 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001294694488 1062254546 /nfs/dbraw/zinc/25/45/46/1062254546.db2.gz UPCXCXUCZUVBMK-PMACEKPBSA-N 1 1 456.639 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001294696261 1062258089 /nfs/dbraw/zinc/25/80/89/1062258089.db2.gz DMQNQEYWDKAVTQ-HSZRJFAPSA-N 1 1 482.677 2.595 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001294696555 1062258916 /nfs/dbraw/zinc/25/89/16/1062258916.db2.gz SITOXCUBHASIQP-FQEVSTJZSA-N 1 1 472.638 2.723 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697611 1062259456 /nfs/dbraw/zinc/25/94/56/1062259456.db2.gz VCGZRQWBYBWNAX-LTIDMASMSA-N 1 1 480.601 2.787 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294698389 1062260697 /nfs/dbraw/zinc/26/06/97/1062260697.db2.gz IHTPLDRSVBJEMH-QGZVFWFLSA-N 1 1 491.434 2.917 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698839 1062262434 /nfs/dbraw/zinc/26/24/34/1062262434.db2.gz ZOTFLGZVUGYOLK-PXNSSMCTSA-N 1 1 466.627 2.928 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699269 1062262551 /nfs/dbraw/zinc/26/25/51/1062262551.db2.gz NXVGUVJABBOYQZ-FQEVSTJZSA-N 1 1 452.669 2.576 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294699401 1062263368 /nfs/dbraw/zinc/26/33/68/1062263368.db2.gz PKXJJJSOSBGKMP-RBUKOAKNSA-N 1 1 478.638 2.819 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001294699663 1062264172 /nfs/dbraw/zinc/26/41/72/1062264172.db2.gz RGTIPCXDHWJHOI-NRFANRHFSA-N 1 1 456.639 2.684 20 0 JFADMO Cc1nc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290474418 1062264893 /nfs/dbraw/zinc/26/48/93/1062264893.db2.gz KXTWYTBBWPMTNE-FUHWJXTLSA-N 1 1 452.650 2.627 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265027 /nfs/dbraw/zinc/26/50/27/1062265027.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 1 1 498.720 2.929 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294701140 1062267105 /nfs/dbraw/zinc/26/71/05/1062267105.db2.gz WVCBTNKVODCGOZ-RTBURBONSA-N 1 1 470.618 2.894 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001294706710 1062270468 /nfs/dbraw/zinc/27/04/68/1062270468.db2.gz CROMTXIFAQKWMD-PMACEKPBSA-N 1 1 487.674 2.639 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708574 1062275380 /nfs/dbraw/zinc/27/53/80/1062275380.db2.gz SEPWKUORRGGTND-PMACEKPBSA-N 1 1 496.703 2.573 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 ZINC001294708980 1062276175 /nfs/dbraw/zinc/27/61/75/1062276175.db2.gz UBVMGWUWQMQJFN-LJQANCHMSA-N 1 1 490.599 2.707 20 0 JFADMO CC(C)(Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287089345 1062276420 /nfs/dbraw/zinc/27/64/20/1062276420.db2.gz ZGJRLDXYTMSBHW-SFHVURJKSA-N 1 1 468.524 2.999 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709375 1062277108 /nfs/dbraw/zinc/27/71/08/1062277108.db2.gz VGCFGCOAYBURDM-RTWAWAEBSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294709502 1062277480 /nfs/dbraw/zinc/27/74/80/1062277480.db2.gz MTCWKBOVQAIESD-FQEVSTJZSA-N 1 1 461.632 2.665 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712116 1062280781 /nfs/dbraw/zinc/28/07/81/1062280781.db2.gz PSSAOSBNDXJLQX-BDTNDASRSA-N 1 1 476.666 2.571 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294712175 1062281482 /nfs/dbraw/zinc/28/14/82/1062281482.db2.gz QEVJXXGXOIKKGT-RCCFBDPRSA-N 1 1 472.556 2.899 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294712169 1062281570 /nfs/dbraw/zinc/28/15/70/1062281570.db2.gz QEVJXXGXOIKKGT-KZNAEPCWSA-N 1 1 472.556 2.899 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294712975 1062284902 /nfs/dbraw/zinc/28/49/02/1062284902.db2.gz WTHSIEVGNWGJNQ-SFTDATJTSA-N 1 1 494.731 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C ZINC001294713630 1062287136 /nfs/dbraw/zinc/28/71/36/1062287136.db2.gz XVLAWIYWHQFVOL-IBGZPJMESA-N 1 1 456.639 2.965 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287092358 1062288286 /nfs/dbraw/zinc/28/82/86/1062288286.db2.gz AVRDILARUBCRPK-UXHICEINSA-N 1 1 492.665 2.982 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294713734 1062288344 /nfs/dbraw/zinc/28/83/44/1062288344.db2.gz ZRBAUSCPEPXHJW-SQJMNOBHSA-N 1 1 476.666 2.642 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287092573 1062288783 /nfs/dbraw/zinc/28/87/83/1062288783.db2.gz IOZJCWPNJYRPDM-OAQYLSRUSA-N 1 1 484.645 2.887 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287092573 1062288800 /nfs/dbraw/zinc/28/88/00/1062288800.db2.gz IOZJCWPNJYRPDM-OAQYLSRUSA-N 1 1 484.645 2.887 20 0 JFADMO Cc1ncc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001290498807 1062290512 /nfs/dbraw/zinc/29/05/12/1062290512.db2.gz WTRZHNYHJYWDSM-UHFFFAOYSA-N 1 1 496.685 2.635 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C2CCC(C)CC2)cn1 ZINC001290500619 1062291826 /nfs/dbraw/zinc/29/18/26/1062291826.db2.gz CSWUQECESULQBK-OHTSDLOESA-N 1 1 486.646 2.841 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001287093758 1062292811 /nfs/dbraw/zinc/29/28/11/1062292811.db2.gz DYJNONDFGCCNAQ-UHFFFAOYSA-N 1 1 468.646 2.987 20 0 JFADMO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001290501761 1062294635 /nfs/dbraw/zinc/29/46/35/1062294635.db2.gz RMBWWRWANSLNMK-FQEVSTJZSA-N 1 1 470.666 2.793 20 0 JFADMO Cc1nccc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001290502191 1062297599 /nfs/dbraw/zinc/29/75/99/1062297599.db2.gz XRXHPSZXFNYGAL-UHFFFAOYSA-N 1 1 470.572 2.912 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001290503304 1062298558 /nfs/dbraw/zinc/29/85/58/1062298558.db2.gz GCJIPXTXMLSTFZ-UHFFFAOYSA-N 1 1 456.639 2.521 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1F ZINC001290503479 1062299139 /nfs/dbraw/zinc/29/91/39/1062299139.db2.gz HZBPZURLLPPHRI-INIZCTEOSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001290503956 1062299755 /nfs/dbraw/zinc/29/97/55/1062299755.db2.gz NTDWTPIKEFPXIN-PKOBYXMFSA-N 1 1 488.637 2.751 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001290503954 1062300084 /nfs/dbraw/zinc/30/00/84/1062300084.db2.gz NTDWTPIKEFPXIN-IEBWSBKVSA-N 1 1 488.637 2.751 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cn1 ZINC001290504512 1062301471 /nfs/dbraw/zinc/30/14/71/1062301471.db2.gz VFROBJNASWJWDS-INIZCTEOSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290504804 1062302702 /nfs/dbraw/zinc/30/27/02/1062302702.db2.gz ZRIRUCWCVHTGKP-KRWDZBQOSA-N 1 1 499.019 2.514 20 0 JFADMO CC(C)(O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287097092 1062302836 /nfs/dbraw/zinc/30/28/36/1062302836.db2.gz YSFFKOWXVPHARL-OAHLLOKOSA-N 1 1 468.371 2.529 20 0 JFADMO CC(C)(O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287097092 1062302854 /nfs/dbraw/zinc/30/28/54/1062302854.db2.gz YSFFKOWXVPHARL-OAHLLOKOSA-N 1 1 468.371 2.529 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507569 1062305469 /nfs/dbraw/zinc/30/54/69/1062305469.db2.gz NDNHYFXJEKSJNA-XLIONFOSSA-N 1 1 487.630 2.612 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001290507514 1062305559 /nfs/dbraw/zinc/30/55/59/1062305559.db2.gz MDGZEZIEQKGYPJ-INIZCTEOSA-N 1 1 457.529 2.799 20 0 JFADMO CC(C)(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287098856 1062306391 /nfs/dbraw/zinc/30/63/91/1062306391.db2.gz OMZYPWCNLWVCEN-CQSZACIVSA-N 1 1 470.799 2.653 20 0 JFADMO CC(C)(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287098856 1062306414 /nfs/dbraw/zinc/30/64/14/1062306414.db2.gz OMZYPWCNLWVCEN-CQSZACIVSA-N 1 1 470.799 2.653 20 0 JFADMO CC(C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287099280 1062307396 /nfs/dbraw/zinc/30/73/96/1062307396.db2.gz WNABXMZOLHSAIJ-HNNXBMFYSA-N 1 1 482.398 2.776 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 ZINC001290510485 1062308316 /nfs/dbraw/zinc/30/83/16/1062308316.db2.gz CXCLMMWBTCXKHO-UHFFFAOYSA-N 1 1 484.649 2.631 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001290511186 1062309740 /nfs/dbraw/zinc/30/97/40/1062309740.db2.gz MZXYKUCGRVSXLM-GHTZIAJQSA-N 1 1 486.646 2.564 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001290511558 1062311341 /nfs/dbraw/zinc/31/13/41/1062311341.db2.gz YURVIZZPYBERJL-UHFFFAOYSA-N 1 1 488.637 2.895 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001294733025 1062314395 /nfs/dbraw/zinc/31/43/95/1062314395.db2.gz JYOPKBNJDOLWJM-FCHUYYIVSA-N 1 1 460.667 2.989 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1Cl ZINC001290515404 1062315455 /nfs/dbraw/zinc/31/54/55/1062315455.db2.gz YPMVJCUSVCKELU-GOSISDBHSA-N 1 1 457.966 2.993 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001290515491 1062315765 /nfs/dbraw/zinc/31/57/65/1062315765.db2.gz JTPQIAPZEJAYIH-ICSRJNTNSA-N 1 1 489.621 2.797 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001290515433 1062315814 /nfs/dbraw/zinc/31/58/14/1062315814.db2.gz ZRWQUBQCBMPPKB-UHFFFAOYSA-N 1 1 496.012 2.851 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294734092 1062316857 /nfs/dbraw/zinc/31/68/57/1062316857.db2.gz OKHPLARXXCHHSO-NRFANRHFSA-N 1 1 486.636 2.958 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001294734263 1062317454 /nfs/dbraw/zinc/31/74/54/1062317454.db2.gz RDSFVUNWPXBJBW-QFIPXVFZSA-N 1 1 486.636 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 ZINC001290517454 1062317519 /nfs/dbraw/zinc/31/75/19/1062317519.db2.gz FOEYGZHLIKAYFD-SFHVURJKSA-N 1 1 477.635 2.514 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1=O ZINC001294734335 1062318003 /nfs/dbraw/zinc/31/80/03/1062318003.db2.gz UKXFXLHUYBCAQO-SFHVURJKSA-N 1 1 474.572 2.895 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001294734493 1062318363 /nfs/dbraw/zinc/31/83/63/1062318363.db2.gz WLRDIWXANKUDCR-SFHVURJKSA-N 1 1 460.573 2.938 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294735124 1062319224 /nfs/dbraw/zinc/31/92/24/1062319224.db2.gz JAHQURAMGIOVRF-UHFFFAOYSA-N 1 1 461.614 2.845 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001290517940 1062319254 /nfs/dbraw/zinc/31/92/54/1062319254.db2.gz PNSIMFPDQRDART-STQSFFJQSA-N 1 1 483.642 2.931 20 0 JFADMO CCCN1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001294735523 1062320779 /nfs/dbraw/zinc/32/07/79/1062320779.db2.gz VQHUTHJLBWKLDE-QFIPXVFZSA-N 1 1 460.667 2.816 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001290521510 1062320813 /nfs/dbraw/zinc/32/08/13/1062320813.db2.gz KGRYGYOOVWGCCZ-HZPDHXFCSA-N 1 1 464.567 2.632 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001287109127 1062321675 /nfs/dbraw/zinc/32/16/75/1062321675.db2.gz GZRTVWPHRLFRHU-UHFFFAOYSA-N 1 1 454.623 2.552 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001290521521 1062321708 /nfs/dbraw/zinc/32/17/08/1062321708.db2.gz KOLVCEXRRIFQDH-WMZOPIPTSA-N 1 1 476.578 2.776 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001290523945 1062324267 /nfs/dbraw/zinc/32/42/67/1062324267.db2.gz VOAHLEBXPLPXJH-UXHICEINSA-N 1 1 457.623 2.756 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001290523971 1062324486 /nfs/dbraw/zinc/32/44/86/1062324486.db2.gz WITXAGGQCVXQAD-HXUWFJFHSA-N 1 1 458.588 2.765 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@H+](C)C(C)C)CC1 ZINC001287111059 1062326144 /nfs/dbraw/zinc/32/61/44/1062326144.db2.gz ZCNRUOGPBFLVOR-JOCHJYFZSA-N 1 1 470.618 2.826 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001290524708 1062326493 /nfs/dbraw/zinc/32/64/93/1062326493.db2.gz KGMYTJUEHQNPST-GDBMZVCRSA-N 1 1 464.542 2.861 20 0 JFADMO Cc1[nH+]ccn1CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290528421 1062328857 /nfs/dbraw/zinc/32/88/57/1062328857.db2.gz GNJWOAUAICGVRR-DVECYGJZSA-N 1 1 489.621 2.627 20 0 JFADMO CCCN1CCCN(c2nnc(COCC)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001294742165 1062329044 /nfs/dbraw/zinc/32/90/44/1062329044.db2.gz ARLXJCVGHARUJJ-NRFANRHFSA-N 1 1 484.645 2.532 20 0 JFADMO CCCN1CCCN(c2nnc(COCC)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001294742165 1062329065 /nfs/dbraw/zinc/32/90/65/1062329065.db2.gz ARLXJCVGHARUJJ-NRFANRHFSA-N 1 1 484.645 2.532 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001290529044 1062329641 /nfs/dbraw/zinc/32/96/41/1062329641.db2.gz MIEILKRUUOQCOE-FQEVSTJZSA-N 1 1 486.642 2.983 20 0 JFADMO C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@@H]1C[N@H+](C)CCO1 ZINC001294742599 1062329757 /nfs/dbraw/zinc/32/97/57/1062329757.db2.gz RUOSUGDTDJFBBX-DYVFJYSZSA-N 1 1 450.333 2.768 20 0 JFADMO C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC001294742599 1062329780 /nfs/dbraw/zinc/32/97/80/1062329780.db2.gz RUOSUGDTDJFBBX-DYVFJYSZSA-N 1 1 450.333 2.768 20 0 JFADMO C[C@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC001294743137 1062330826 /nfs/dbraw/zinc/33/08/26/1062330826.db2.gz WPQWVBIDULVCLR-ZBQZNYHESA-N 1 1 459.509 2.765 20 0 JFADMO C[C@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC001294743137 1062330853 /nfs/dbraw/zinc/33/08/53/1062330853.db2.gz WPQWVBIDULVCLR-ZBQZNYHESA-N 1 1 459.509 2.765 20 0 JFADMO Cc1nccnc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001290530183 1062332327 /nfs/dbraw/zinc/33/23/27/1062332327.db2.gz ORJJOKNLQXQARO-UHFFFAOYSA-N 1 1 483.642 2.610 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001294743939 1062333927 /nfs/dbraw/zinc/33/39/27/1062333927.db2.gz HUALFGRYNIZEPI-LMNJBCLMSA-N 1 1 478.638 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001294744241 1062335699 /nfs/dbraw/zinc/33/56/99/1062335699.db2.gz PMEQTQXAIPVWCB-INIZCTEOSA-N 1 1 470.544 2.679 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001287114342 1062336465 /nfs/dbraw/zinc/33/64/65/1062336465.db2.gz GMXFTSCLNYJJIL-DEOSSOPVSA-N 1 1 482.673 2.725 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C)CC1 ZINC001294744654 1062336781 /nfs/dbraw/zinc/33/67/81/1062336781.db2.gz ZWMQVVKLWTZXFX-NRFANRHFSA-N 1 1 453.635 2.926 20 0 JFADMO Cc1nccnc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001290537385 1062337189 /nfs/dbraw/zinc/33/71/89/1062337189.db2.gz BBAJQUGWDMJSND-NRFANRHFSA-N 1 1 470.666 2.649 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287114609 1062337672 /nfs/dbraw/zinc/33/76/72/1062337672.db2.gz MEPWCCLJSNDLFS-QFIPXVFZSA-N 1 1 495.672 2.616 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001287114674 1062338233 /nfs/dbraw/zinc/33/82/33/1062338233.db2.gz NQNPMFIIRQEMLJ-NHCUHLMSSA-N 1 1 458.651 2.763 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294748219 1062339423 /nfs/dbraw/zinc/33/94/23/1062339423.db2.gz BRYZPACYVIJBKX-NRFANRHFSA-N 1 1 474.675 2.894 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001287115193 1062340998 /nfs/dbraw/zinc/34/09/98/1062340998.db2.gz CSOXBZRRPKDSBN-FQEVSTJZSA-N 1 1 496.660 2.931 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294753559 1062342020 /nfs/dbraw/zinc/34/20/20/1062342020.db2.gz NXUCUAREGLNOLC-OALUTQOASA-N 1 1 458.611 2.656 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001294754054 1062342931 /nfs/dbraw/zinc/34/29/31/1062342931.db2.gz VGIGNTRKPYVUCY-RBUKOAKNSA-N 1 1 489.665 2.987 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001294754114 1062343508 /nfs/dbraw/zinc/34/35/08/1062343508.db2.gz BDZTVGZDBQRBPC-QUCCMNQESA-N 1 1 479.622 2.709 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1[C@H]1CCCO1 ZINC001294754188 1062343575 /nfs/dbraw/zinc/34/35/75/1062343575.db2.gz OHOWXXHTFZMWBN-DOIPELPJSA-N 1 1 453.624 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294754421 1062343706 /nfs/dbraw/zinc/34/37/06/1062343706.db2.gz CVMNINQRZHPUGG-LQWHRVPQSA-N 1 1 477.631 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294754537 1062344167 /nfs/dbraw/zinc/34/41/67/1062344167.db2.gz FMKGVYVNCZPLAY-PMACEKPBSA-N 1 1 489.665 2.579 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290546673 1062346350 /nfs/dbraw/zinc/34/63/50/1062346350.db2.gz HGXDZUUURWCIQB-SFTDATJTSA-N 1 1 459.639 2.516 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290547440 1062348121 /nfs/dbraw/zinc/34/81/21/1062348121.db2.gz MILKLINXUHRVLC-VGOFRKELSA-N 1 1 464.618 2.736 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294759350 1062349483 /nfs/dbraw/zinc/34/94/83/1062349483.db2.gz CDCJCRCIOKWHMP-AWRGLXIESA-N 1 1 497.706 2.597 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294760089 1062350124 /nfs/dbraw/zinc/35/01/24/1062350124.db2.gz JWHXFFAQQKGICL-SWYRRKHMSA-N 1 1 490.693 2.936 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294760382 1062350662 /nfs/dbraw/zinc/35/06/62/1062350662.db2.gz OZCYNFKVOAQBCB-YADARESESA-N 1 1 458.582 2.833 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287117333 1062351175 /nfs/dbraw/zinc/35/11/75/1062351175.db2.gz UKFZNCYPKQNOMZ-QFIPXVFZSA-N 1 1 489.064 2.674 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O ZINC001294765503 1062356685 /nfs/dbraw/zinc/35/66/85/1062356685.db2.gz WZNKUYFJSBGAKL-FHWLQOOXSA-N 1 1 477.654 2.925 20 0 JFADMO CCCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768369 1062362673 /nfs/dbraw/zinc/36/26/73/1062362673.db2.gz NPYZCRJTZAWZRN-RBUKOAKNSA-N 1 1 494.644 2.509 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001287120416 1062363170 /nfs/dbraw/zinc/36/31/70/1062363170.db2.gz QQGMYURHVIYTSO-GOSISDBHSA-N 1 1 480.617 2.675 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)CC(F)(F)F)CC1 ZINC001290562370 1062363716 /nfs/dbraw/zinc/36/37/16/1062363716.db2.gz FPBACEAMYUYCDC-FQEVSTJZSA-N 1 1 498.598 2.686 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001290562975 1062364821 /nfs/dbraw/zinc/36/48/21/1062364821.db2.gz FMRJBBMWYQCREF-XMMPIXPASA-N 1 1 455.607 2.749 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001290563018 1062364953 /nfs/dbraw/zinc/36/49/53/1062364953.db2.gz GXXGJIAOSDCWNF-KRWDZBQOSA-N 1 1 451.566 2.672 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ncccc2N(C)C)CC1 ZINC001290566012 1062368863 /nfs/dbraw/zinc/36/88/63/1062368863.db2.gz PUWOKBDTNAAGLM-UHFFFAOYSA-N 1 1 465.650 2.757 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001290566932 1062369848 /nfs/dbraw/zinc/36/98/48/1062369848.db2.gz SJUHYPXGJQOKFO-UHFFFAOYSA-N 1 1 459.549 2.850 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001287122722 1062373922 /nfs/dbraw/zinc/37/39/22/1062373922.db2.gz HVPQPLDJUBLOMP-QHCPKHFHSA-N 1 1 496.704 2.997 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001287122835 1062375118 /nfs/dbraw/zinc/37/51/18/1062375118.db2.gz XPQPTJLKAJHPJG-UHFFFAOYSA-N 1 1 480.661 2.988 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001287124020 1062379876 /nfs/dbraw/zinc/37/98/76/1062379876.db2.gz GLKZDEHIPPCTPY-IFMALSPDSA-N 1 1 453.635 2.737 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001287125446 1062387182 /nfs/dbraw/zinc/38/71/82/1062387182.db2.gz BJTQHXOPZVYABT-FGZHOGPDSA-N 1 1 487.693 2.767 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001287125448 1062387577 /nfs/dbraw/zinc/38/75/77/1062387577.db2.gz BJTQHXOPZVYABT-YADHBBJMSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001290581592 1062387865 /nfs/dbraw/zinc/38/78/65/1062387865.db2.gz NRKJVFPIZOGMMR-FGZHOGPDSA-N 1 1 470.666 2.999 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001287125712 1062388617 /nfs/dbraw/zinc/38/86/17/1062388617.db2.gz HCTSZPPPQPWTJA-IBGZPJMESA-N 1 1 487.674 2.621 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C2)n1 ZINC001290583486 1062391363 /nfs/dbraw/zinc/39/13/63/1062391363.db2.gz IKSHGWUPNOYYFJ-OAQYLSRUSA-N 1 1 457.671 2.552 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583486 1062391384 /nfs/dbraw/zinc/39/13/84/1062391384.db2.gz IKSHGWUPNOYYFJ-OAQYLSRUSA-N 1 1 457.671 2.552 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583486 1062391408 /nfs/dbraw/zinc/39/14/08/1062391408.db2.gz IKSHGWUPNOYYFJ-OAQYLSRUSA-N 1 1 457.671 2.552 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001287128339 1062399566 /nfs/dbraw/zinc/39/95/66/1062399566.db2.gz SOEFFUYHJQLAPH-LEWJYISDSA-N 1 1 468.650 2.988 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294794407 1062422372 /nfs/dbraw/zinc/42/23/72/1062422372.db2.gz HXEOVLNCTNBZHG-VQTJNVASSA-N 1 1 457.623 2.517 20 0 JFADMO CC(C)C(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287131630 1062425973 /nfs/dbraw/zinc/42/59/73/1062425973.db2.gz VOOOXSXYJMXXTK-QFIPXVFZSA-N 1 1 498.672 2.838 20 0 JFADMO CC(C)C(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287131630 1062425977 /nfs/dbraw/zinc/42/59/77/1062425977.db2.gz VOOOXSXYJMXXTK-QFIPXVFZSA-N 1 1 498.672 2.838 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290603431 1062434798 /nfs/dbraw/zinc/43/47/98/1062434798.db2.gz DJIHDNBSEYHFAB-HXUWFJFHSA-N 1 1 465.593 2.978 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001287133545 1062443724 /nfs/dbraw/zinc/44/37/24/1062443724.db2.gz IUDFECUBRVGRPV-SFHVURJKSA-N 1 1 469.565 2.664 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287133783 1062444520 /nfs/dbraw/zinc/44/45/20/1062444520.db2.gz GOPOVFGZDBBYGE-UHFFFAOYSA-N 1 1 492.672 2.728 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287133783 1062444528 /nfs/dbraw/zinc/44/45/28/1062444528.db2.gz GOPOVFGZDBBYGE-UHFFFAOYSA-N 1 1 492.672 2.728 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287133783 1062444536 /nfs/dbraw/zinc/44/45/36/1062444536.db2.gz GOPOVFGZDBBYGE-UHFFFAOYSA-N 1 1 492.672 2.728 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001294805740 1062457673 /nfs/dbraw/zinc/45/76/73/1062457673.db2.gz UYNLFSUCUYAZAT-IFMALSPDSA-N 1 1 453.635 2.881 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001290612739 1062458926 /nfs/dbraw/zinc/45/89/26/1062458926.db2.gz UOYJVYGILKZFDG-UHFFFAOYSA-N 1 1 486.709 2.951 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001290618998 1062478065 /nfs/dbraw/zinc/47/80/65/1062478065.db2.gz YIDQVIZTFJKENK-HFSMHLIXSA-N 1 1 486.665 2.973 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001290624302 1062488962 /nfs/dbraw/zinc/48/89/62/1062488962.db2.gz MQVWHMZEODPKHF-FQEVSTJZSA-N 1 1 455.529 2.783 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290624603 1062490255 /nfs/dbraw/zinc/49/02/55/1062490255.db2.gz CVECDNFYLQFZOI-DHIUTWEWSA-N 1 1 484.693 2.955 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCSC(F)(F)F)n1 ZINC001290624665 1062490995 /nfs/dbraw/zinc/49/09/95/1062490995.db2.gz SRSHVFQEOMSNAV-IBGZPJMESA-N 1 1 473.569 2.694 20 0 JFADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287139637 1062491101 /nfs/dbraw/zinc/49/11/01/1062491101.db2.gz DPHNDFQDPHXPEN-QHCPKHFHSA-N 1 1 461.614 2.747 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001290626012 1062497408 /nfs/dbraw/zinc/49/74/08/1062497408.db2.gz RUKDTWKEKRTQRO-GOSISDBHSA-N 1 1 455.529 2.641 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001294821788 1062504489 /nfs/dbraw/zinc/50/44/89/1062504489.db2.gz GBYNCDCDROBOIE-UHFFFAOYSA-N 1 1 458.010 2.998 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290631900 1062507897 /nfs/dbraw/zinc/50/78/97/1062507897.db2.gz SGPLUUHCOFILFL-XPWALMASSA-N 1 1 473.666 2.890 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001294822802 1062508718 /nfs/dbraw/zinc/50/87/18/1062508718.db2.gz QQADDLODJXQKDQ-FQEVSTJZSA-N 1 1 471.650 2.527 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001294822821 1062509265 /nfs/dbraw/zinc/50/92/65/1062509265.db2.gz RIPUSKZJAFYCHI-NRFANRHFSA-N 1 1 483.661 2.892 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294828198 1062514505 /nfs/dbraw/zinc/51/45/05/1062514505.db2.gz KVXUMUGCRAPDGC-VWLOTQADSA-N 1 1 492.734 2.817 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2c(C)nn(C)c2C)n1 ZINC001290639031 1062522912 /nfs/dbraw/zinc/52/29/12/1062522912.db2.gz GHDDDIFCWYNRFC-UHFFFAOYSA-N 1 1 453.639 2.849 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001287151873 1062524130 /nfs/dbraw/zinc/52/41/30/1062524130.db2.gz WSBRAVRBSPQLKP-KHMOSXFSSA-N 1 1 480.661 2.924 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640791 1062527479 /nfs/dbraw/zinc/52/74/79/1062527479.db2.gz LNXKJNZBWAXNQL-NRFANRHFSA-N 1 1 484.693 2.955 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001287152752 1062527388 /nfs/dbraw/zinc/52/73/88/1062527388.db2.gz JOPQFYYFYKPARW-FQEVSTJZSA-N 1 1 473.710 2.806 20 0 JFADMO CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001294839991 1062533249 /nfs/dbraw/zinc/53/32/49/1062533249.db2.gz ZCKAMHTZEXXJMW-HXUWFJFHSA-N 1 1 490.612 2.552 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294841242 1062535375 /nfs/dbraw/zinc/53/53/75/1062535375.db2.gz YMNFMDQOPVGVIK-FXAWDEMLSA-N 1 1 461.010 2.672 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4csc(C)n4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290647754 1062542881 /nfs/dbraw/zinc/54/28/81/1062542881.db2.gz PHORQBLHDRVAON-UHFFFAOYSA-N 1 1 485.706 2.957 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294846851 1062543515 /nfs/dbraw/zinc/54/35/15/1062543515.db2.gz KESDCCRFWNBVIF-FXAWDEMLSA-N 1 1 461.010 2.672 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294846855 1062544119 /nfs/dbraw/zinc/54/41/19/1062544119.db2.gz KESDCCRFWNBVIF-XLIONFOSSA-N 1 1 461.010 2.672 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294846853 1062544215 /nfs/dbraw/zinc/54/42/15/1062544215.db2.gz KESDCCRFWNBVIF-PXNSSMCTSA-N 1 1 461.010 2.672 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCSCC(F)(F)F)n1 ZINC001290648264 1062544459 /nfs/dbraw/zinc/54/44/59/1062544459.db2.gz RQPYWVKSOLOWRL-SFHVURJKSA-N 1 1 487.596 2.736 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290648311 1062544496 /nfs/dbraw/zinc/54/44/96/1062544496.db2.gz JIOPLXJFSLKMJG-BHIFYINESA-N 1 1 473.666 2.889 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001294847683 1062546804 /nfs/dbraw/zinc/54/68/04/1062546804.db2.gz WNAKTHZCTWQYPI-QZTJIDSGSA-N 1 1 456.591 2.552 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287157912 1062548491 /nfs/dbraw/zinc/54/84/91/1062548491.db2.gz ADDAMGOXOUQUAZ-LEWJYISDSA-N 1 1 492.665 2.586 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001294851556 1062552384 /nfs/dbraw/zinc/55/23/84/1062552384.db2.gz WLWDSTKYZSMJDY-UHFFFAOYSA-N 1 1 451.575 2.520 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCOCC1 ZINC001287160173 1062558233 /nfs/dbraw/zinc/55/82/33/1062558233.db2.gz PZNXJYBMWSTZCU-UHGZUPIWSA-N 1 1 489.686 2.903 20 0 JFADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOCC3(C)C)C2)n1 ZINC001290657212 1062559776 /nfs/dbraw/zinc/55/97/76/1062559776.db2.gz WHXUXSYUXVCCSU-NRFANRHFSA-N 1 1 458.655 2.712 20 0 JFADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOCC3(C)C)C2)n1 ZINC001290657212 1062559791 /nfs/dbraw/zinc/55/97/91/1062559791.db2.gz WHXUXSYUXVCCSU-NRFANRHFSA-N 1 1 458.655 2.712 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161359 1062562185 /nfs/dbraw/zinc/56/21/85/1062562185.db2.gz MRKPTUFMZRLJAD-FUPPJEDESA-N 1 1 490.718 2.833 20 0 JFADMO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287162815 1062566200 /nfs/dbraw/zinc/56/62/00/1062566200.db2.gz KLDCCEZYDMLMII-ZVDOUQERSA-N 1 1 461.582 2.967 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CCCO)CC1)[NH+]1CCOCC1 ZINC001287163091 1062566847 /nfs/dbraw/zinc/56/68/47/1062566847.db2.gz UKYMGXUGYUQKLU-HSZRJFAPSA-N 1 1 456.635 2.610 20 0 JFADMO CC(C)[C@@H](Cn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCOCC1 ZINC001287163162 1062567582 /nfs/dbraw/zinc/56/75/82/1062567582.db2.gz NSSTXWDATPFLBG-IFMALSPDSA-N 1 1 468.646 2.805 20 0 JFADMO CC(C)[C@H](Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163266 1062568321 /nfs/dbraw/zinc/56/83/21/1062568321.db2.gz CIUOFVZOKXJFMZ-ZEQRLZLVSA-N 1 1 489.753 2.927 20 0 JFADMO CC(C)[C@@H](Cn1c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163259 1062568533 /nfs/dbraw/zinc/56/85/33/1062568533.db2.gz CIUOFVZOKXJFMZ-BJKOFHAPSA-N 1 1 489.753 2.927 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001287164040 1062572588 /nfs/dbraw/zinc/57/25/88/1062572588.db2.gz VDKXXOZBUSPXSE-UXHICEINSA-N 1 1 461.010 2.876 20 0 JFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868062 1062572782 /nfs/dbraw/zinc/57/27/82/1062572782.db2.gz PKCSPWGNQYMESR-WMTXJRDZSA-N 1 1 453.558 2.677 20 0 JFADMO CCCNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294869166 1062573555 /nfs/dbraw/zinc/57/35/55/1062573555.db2.gz CGTLFYLSBHFDCH-RBBKRZOGSA-N 1 1 486.686 2.952 20 0 JFADMO CC(C)[C@H](Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287165634 1062576371 /nfs/dbraw/zinc/57/63/71/1062576371.db2.gz TZDQJYSPSCAOHG-IBGZPJMESA-N 1 1 463.671 2.563 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001287166462 1062578257 /nfs/dbraw/zinc/57/82/57/1062578257.db2.gz IHLDACKUAFRBKD-UFYCRDLUSA-N 1 1 490.674 2.764 20 0 JFADMO Cc1nc2n(n1)CCN(c1nnc(C(C)(C)C)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C2 ZINC001290671207 1062580252 /nfs/dbraw/zinc/58/02/52/1062580252.db2.gz GKATVKHGIKHDBF-UHFFFAOYSA-N 1 1 489.669 2.732 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287174576 1062597560 /nfs/dbraw/zinc/59/75/60/1062597560.db2.gz IQSTXMSRISECGM-OALUTQOASA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC001287174705 1062598255 /nfs/dbraw/zinc/59/82/55/1062598255.db2.gz SJDRKMMPKMMUND-DEOSSOPVSA-N 1 1 471.556 2.764 20 0 JFADMO CC(C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCC(=O)N1CCOCC1 ZINC001287183046 1062608811 /nfs/dbraw/zinc/60/88/11/1062608811.db2.gz PTECLYNSZQPVCL-JOCHJYFZSA-N 1 1 454.619 2.609 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC001290693245 1062619380 /nfs/dbraw/zinc/61/93/80/1062619380.db2.gz YAVHJTOWADEFAP-WMZOPIPTSA-N 1 1 460.652 2.715 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287193389 1062622557 /nfs/dbraw/zinc/62/25/57/1062622557.db2.gz PFUSBKSBUMKEMV-IRLDBZIGSA-N 1 1 474.675 2.784 20 0 JFADMO Cc1nnc(Cn2c(COc3ccc(F)cc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC001290698247 1062627952 /nfs/dbraw/zinc/62/79/52/1062627952.db2.gz BKFAVKKSEMCUIG-UHFFFAOYSA-N 1 1 489.621 2.999 20 0 JFADMO CCCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294899943 1062636217 /nfs/dbraw/zinc/63/62/17/1062636217.db2.gz XNJDPZLIYIRACY-UHFFFAOYSA-N 1 1 494.644 2.683 20 0 JFADMO Cc1nnc(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001290701841 1062638431 /nfs/dbraw/zinc/63/84/31/1062638431.db2.gz LQOHZPXIIIQMNC-QFIPXVFZSA-N 1 1 463.652 2.838 20 0 JFADMO Cc1nnc(N(C)Cc2ccc(Br)s2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290717311 1062648972 /nfs/dbraw/zinc/64/89/72/1062648972.db2.gz WMXIHKJPMFKBQV-INIZCTEOSA-N 1 1 469.453 2.990 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287205246 1062650153 /nfs/dbraw/zinc/65/01/53/1062650153.db2.gz BCLXJSXESOLLAF-FSSWDIPSSA-N 1 1 460.667 2.987 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287205248 1062650220 /nfs/dbraw/zinc/65/02/20/1062650220.db2.gz BCLXJSXESOLLAF-YPAWHYETSA-N 1 1 460.667 2.987 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001287206551 1062652748 /nfs/dbraw/zinc/65/27/48/1062652748.db2.gz CPAZNKYLMGHXOJ-UHFFFAOYSA-N 1 1 456.639 2.638 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCOc1ccc(Cl)cn1 ZINC001290737266 1062659237 /nfs/dbraw/zinc/65/92/37/1062659237.db2.gz IAEOXOBPIJVDOR-LAUBAEHRSA-N 1 1 458.998 2.967 20 0 JFADMO Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCCn1cc(Br)cn1 ZINC001290737629 1062660006 /nfs/dbraw/zinc/66/00/06/1062660006.db2.gz TXDNHSBBDHCPIY-IYBDPMFKSA-N 1 1 454.417 2.571 20 0 JFADMO Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCCn1cc(Br)cn1 ZINC001290737629 1062660017 /nfs/dbraw/zinc/66/00/17/1062660017.db2.gz TXDNHSBBDHCPIY-IYBDPMFKSA-N 1 1 454.417 2.571 20 0 JFADMO Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001290738201 1062660073 /nfs/dbraw/zinc/66/00/73/1062660073.db2.gz ZDYPRKRQSFMUTF-NRFANRHFSA-N 1 1 452.024 2.963 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287212774 1062668255 /nfs/dbraw/zinc/66/82/55/1062668255.db2.gz SQGSLIMJYZOIBT-GAJHUEQPSA-N 1 1 486.608 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214670 1062680879 /nfs/dbraw/zinc/68/08/79/1062680879.db2.gz PBHFMDTVWFQFDP-UNMCSNQZSA-N 1 1 453.635 2.669 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924568 1062693519 /nfs/dbraw/zinc/69/35/19/1062693519.db2.gz ISDRCHQXSZMTDZ-QUCCMNQESA-N 1 1 470.618 2.894 20 0 JFADMO Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290797547 1062702357 /nfs/dbraw/zinc/70/23/57/1062702357.db2.gz IWCUHBXNMVJWST-SFHVURJKSA-N 1 1 455.529 2.880 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CCOCC(F)F ZINC001287219749 1062702970 /nfs/dbraw/zinc/70/29/70/1062702970.db2.gz RWVFPUMOZOJBJP-UHFFFAOYSA-N 1 1 451.518 2.777 20 0 JFADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001290802653 1062706609 /nfs/dbraw/zinc/70/66/09/1062706609.db2.gz WIXNRRNFRKQPQM-YTTGMZPUSA-N 1 1 458.676 2.508 20 0 JFADMO CC(C)c1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CCC[NH+]1CCOCC1 ZINC001287222186 1062707394 /nfs/dbraw/zinc/70/73/94/1062707394.db2.gz BKUDZCSPDLYDEX-UHFFFAOYSA-N 1 1 477.053 2.978 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287222248 1062708211 /nfs/dbraw/zinc/70/82/11/1062708211.db2.gz CRIAAHUMVMBJHY-GOSISDBHSA-N 1 1 450.534 2.790 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287224564 1062712480 /nfs/dbraw/zinc/71/24/80/1062712480.db2.gz VKMZKIIGIMZOAL-NRFANRHFSA-N 1 1 455.607 2.844 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287224417 1062712573 /nfs/dbraw/zinc/71/25/73/1062712573.db2.gz STHDLVHJMVUFJK-JOCHJYFZSA-N 1 1 454.619 2.647 20 0 JFADMO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290828220 1062721583 /nfs/dbraw/zinc/72/15/83/1062721583.db2.gz JNSBVQDUTCEYPD-FYYLOGMGSA-N 1 1 454.619 2.590 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294939732 1062722221 /nfs/dbraw/zinc/72/22/21/1062722221.db2.gz YXKDLTVBMXAWDQ-QUCCMNQESA-N 1 1 470.618 2.894 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C1 ZINC001287232205 1062723457 /nfs/dbraw/zinc/72/34/57/1062723457.db2.gz NZKPEFLVGWMAEO-LJQANCHMSA-N 1 1 460.648 2.864 20 0 JFADMO Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001290846612 1062733142 /nfs/dbraw/zinc/73/31/42/1062733142.db2.gz DXMLFBPNVIKAKS-HSZRJFAPSA-N 1 1 483.661 2.898 20 0 JFADMO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287252976 1062735778 /nfs/dbraw/zinc/73/57/78/1062735778.db2.gz NLVAGOMGGWBQJF-NHCUHLMSSA-N 1 1 475.659 2.678 20 0 JFADMO CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cc1 ZINC001294959056 1062741912 /nfs/dbraw/zinc/74/19/12/1062741912.db2.gz YFOKCLDXFWODHJ-LJQANCHMSA-N 1 1 453.591 2.673 20 0 JFADMO CCCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1OC ZINC001294965500 1062747045 /nfs/dbraw/zinc/74/70/45/1062747045.db2.gz OXCBGUUVWXCVGM-KNQAVFIVSA-N 1 1 484.645 2.675 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001287273862 1062747322 /nfs/dbraw/zinc/74/73/22/1062747322.db2.gz GJJCBYAQJFUNKN-RTBURBONSA-N 1 1 455.607 2.907 20 0 JFADMO Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290864314 1062747600 /nfs/dbraw/zinc/74/76/00/1062747600.db2.gz SHMVALYBZWJGMX-UHFFFAOYSA-N 1 1 487.649 2.855 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001290867656 1062750057 /nfs/dbraw/zinc/75/00/57/1062750057.db2.gz QGRCQTVMIKAUIN-ZLNRFVROSA-N 1 1 473.710 2.725 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290869614 1062753764 /nfs/dbraw/zinc/75/37/64/1062753764.db2.gz KFFZOYKJCKIXFJ-KSEOMHKRSA-N 1 1 459.683 2.524 20 0 JFADMO CCCOc1ccc(Cn2c(N3CC[N@@H+](CC)[C@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cn1 ZINC001294971980 1062754264 /nfs/dbraw/zinc/75/42/64/1062754264.db2.gz QCQLOHRQJMIOQR-NTKDMRAZSA-N 1 1 458.607 2.693 20 0 JFADMO Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001290871820 1062757585 /nfs/dbraw/zinc/75/75/85/1062757585.db2.gz KJELBGWPTFEASD-OAQYLSRUSA-N 1 1 490.530 2.805 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001287284436 1062759430 /nfs/dbraw/zinc/75/94/30/1062759430.db2.gz XMSUIPJZHNGNDX-VQTJNVASSA-N 1 1 459.664 2.794 20 0 JFADMO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001294975317 1062759636 /nfs/dbraw/zinc/75/96/36/1062759636.db2.gz ZXGKICKUGYVINL-IBGZPJMESA-N 1 1 469.634 2.959 20 0 JFADMO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001290879486 1062763503 /nfs/dbraw/zinc/76/35/03/1062763503.db2.gz RFTOPYLHSBNOSS-QHCPKHFHSA-N 1 1 474.675 2.607 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290881712 1062764393 /nfs/dbraw/zinc/76/43/93/1062764393.db2.gz CJYAOCJYUMHRCA-FQEVSTJZSA-N 1 1 477.451 2.953 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290881712 1062764417 /nfs/dbraw/zinc/76/44/17/1062764417.db2.gz CJYAOCJYUMHRCA-FQEVSTJZSA-N 1 1 477.451 2.953 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290881712 1062764439 /nfs/dbraw/zinc/76/44/39/1062764439.db2.gz CJYAOCJYUMHRCA-FQEVSTJZSA-N 1 1 477.451 2.953 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001287298455 1062770432 /nfs/dbraw/zinc/77/04/32/1062770432.db2.gz BXLBATFBNGEDMN-YUMYIRISSA-N 1 1 463.667 2.905 20 0 JFADMO COc1cc(OC)cc(N2CCCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)CC2)c1 ZINC001294985154 1062770924 /nfs/dbraw/zinc/77/09/24/1062770924.db2.gz QABKGWFFAZZCSR-RUZDIDTESA-N 1 1 453.583 2.941 20 0 JFADMO CCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294985770 1062772140 /nfs/dbraw/zinc/77/21/40/1062772140.db2.gz WKAZOBJTKBCZNY-FPOVZHCZSA-N 1 1 458.607 2.561 20 0 JFADMO Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290901155 1062772529 /nfs/dbraw/zinc/77/25/29/1062772529.db2.gz ZWHIBKXJTNPHOB-WOJBJXKFSA-N 1 1 462.639 2.827 20 0 JFADMO Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001290901155 1062772553 /nfs/dbraw/zinc/77/25/53/1062772553.db2.gz ZWHIBKXJTNPHOB-WOJBJXKFSA-N 1 1 462.639 2.827 20 0 JFADMO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290900638 1062772697 /nfs/dbraw/zinc/77/26/97/1062772697.db2.gz RSVRAESURAMPOO-FCHUYYIVSA-N 1 1 475.682 2.600 20 0 JFADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)CC2)CC1 ZINC001290901425 1062772845 /nfs/dbraw/zinc/77/28/45/1062772845.db2.gz DCJVXOUDQXJUBZ-UHFFFAOYSA-N 1 1 452.521 2.932 20 0 JFADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3NC(=O)OC(C)(C)C)CC2)CC1 ZINC001290902672 1062776603 /nfs/dbraw/zinc/77/66/03/1062776603.db2.gz SJEQIYDSSYVCHB-UHFFFAOYSA-N 1 1 458.603 2.979 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287306040 1062776771 /nfs/dbraw/zinc/77/67/71/1062776771.db2.gz IPSFEHUBDRDBEE-VWPQPMDRSA-N 1 1 460.667 2.671 20 0 JFADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001290902883 1062777649 /nfs/dbraw/zinc/77/76/49/1062777649.db2.gz QKEWIYFYQZPYGT-ICSRJNTNSA-N 1 1 474.654 2.507 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001294997382 1062783906 /nfs/dbraw/zinc/78/39/06/1062783906.db2.gz RGKFXXIQBWTBOT-VAMGGRTRSA-N 1 1 470.684 2.548 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C3(c4ccc(F)cc4F)CCOCC3)cc2)CC1 ZINC001290908522 1062784105 /nfs/dbraw/zinc/78/41/05/1062784105.db2.gz OXEVELCCSBBIRH-UHFFFAOYSA-N 1 1 457.521 2.717 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)cc2)CC1 ZINC001290909093 1062784586 /nfs/dbraw/zinc/78/45/86/1062784586.db2.gz WCUBLIHWPLTDCX-UHFFFAOYSA-N 1 1 457.530 2.941 20 0 JFADMO CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001287338740 1062816138 /nfs/dbraw/zinc/81/61/38/1062816138.db2.gz NBZBPRVQGZPEFO-AFESJLNVSA-N 1 1 497.732 2.826 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287351989 1062823861 /nfs/dbraw/zinc/82/38/61/1062823861.db2.gz LHNWCLQHCWWLRW-YADHBBJMSA-N 1 1 470.666 2.729 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295022282 1062825868 /nfs/dbraw/zinc/82/58/68/1062825868.db2.gz QUMYVGKOUWGPPM-FQEVSTJZSA-N 1 1 466.696 2.649 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287363998 1062829824 /nfs/dbraw/zinc/82/98/24/1062829824.db2.gz PJDAWVDZDQTGJW-OAQYLSRUSA-N 1 1 484.645 2.827 20 0 JFADMO C[C@@H](CNC(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290955051 1062830554 /nfs/dbraw/zinc/83/05/54/1062830554.db2.gz SIUGHFUYBFYVII-LAUBAEHRSA-N 1 1 454.575 2.528 20 0 JFADMO CCC[C@@H]1C[C@H]1n1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001295027804 1062832005 /nfs/dbraw/zinc/83/20/05/1062832005.db2.gz XYRUTDUSFRKLDU-WIYYLYMNSA-N 1 1 461.632 2.868 20 0 JFADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001295041387 1062838942 /nfs/dbraw/zinc/83/89/42/1062838942.db2.gz JIYUNCHTRIDGJV-LJQANCHMSA-N 1 1 451.633 2.968 20 0 JFADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)CCOC)CC1 ZINC001295044426 1062842591 /nfs/dbraw/zinc/84/25/91/1062842591.db2.gz ZQNGDFFQSQVISG-UHFFFAOYSA-N 1 1 488.637 2.539 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295044735 1062843186 /nfs/dbraw/zinc/84/31/86/1062843186.db2.gz AVJBQEQVTMTNRW-WOJBJXKFSA-N 1 1 494.681 2.975 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295044735 1062843208 /nfs/dbraw/zinc/84/32/08/1062843208.db2.gz AVJBQEQVTMTNRW-WOJBJXKFSA-N 1 1 494.681 2.975 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295045568 1062846701 /nfs/dbraw/zinc/84/67/01/1062846701.db2.gz ROXOKGJENXZMSM-HKBOAZHASA-N 1 1 492.665 2.586 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287414421 1062853543 /nfs/dbraw/zinc/85/35/43/1062853543.db2.gz ZAFSRGFZIKVZCZ-LJQANCHMSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001287417590 1062854915 /nfs/dbraw/zinc/85/49/15/1062854915.db2.gz BBAFVHWVYWYYTM-VXNXHJTFSA-N 1 1 475.726 2.581 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287420783 1062860637 /nfs/dbraw/zinc/86/06/37/1062860637.db2.gz LLNZFJSIIOQOBF-HSZRJFAPSA-N 1 1 468.646 2.722 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001295056912 1062862250 /nfs/dbraw/zinc/86/22/50/1062862250.db2.gz HJAYADYTZDTOIC-UGKGYDQZSA-N 1 1 468.646 2.878 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001295062692 1062878152 /nfs/dbraw/zinc/87/81/52/1062878152.db2.gz XRGKUULGZHUGQM-INIZCTEOSA-N 1 1 479.000 2.905 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001295064368 1062879282 /nfs/dbraw/zinc/87/92/82/1062879282.db2.gz FCIAEQUICIQWFV-UHFFFAOYSA-N 1 1 484.626 2.824 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287455710 1062891953 /nfs/dbraw/zinc/89/19/53/1062891953.db2.gz BIJDBRZUXPMSCE-UHFFFAOYSA-N 1 1 481.645 2.640 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287455710 1062891971 /nfs/dbraw/zinc/89/19/71/1062891971.db2.gz BIJDBRZUXPMSCE-UHFFFAOYSA-N 1 1 481.645 2.640 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998753 1062892277 /nfs/dbraw/zinc/89/22/77/1062892277.db2.gz PZWIQEDYIHMRBJ-IYWMVGAKSA-N 1 1 484.711 2.506 20 0 JFADMO CC(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291002330 1062899021 /nfs/dbraw/zinc/89/90/21/1062899021.db2.gz ULNQRFOIQJKMKT-NHCUHLMSSA-N 1 1 459.683 2.687 20 0 JFADMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075716 1062902206 /nfs/dbraw/zinc/90/22/06/1062902206.db2.gz ARSWJHRKMZKTSB-MSOLQXFVSA-N 1 1 457.596 2.871 20 0 JFADMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075716 1062902235 /nfs/dbraw/zinc/90/22/35/1062902235.db2.gz ARSWJHRKMZKTSB-MSOLQXFVSA-N 1 1 457.596 2.871 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009351 1062906442 /nfs/dbraw/zinc/90/64/42/1062906442.db2.gz DPZQRBAJQRNQHR-FCGDIQPGSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906855 /nfs/dbraw/zinc/90/68/55/1062906855.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 1 1 486.709 2.982 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291010847 1062910484 /nfs/dbraw/zinc/91/04/84/1062910484.db2.gz BRFNQFANAJUAQA-PLACYPQZSA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012417 1062916374 /nfs/dbraw/zinc/91/63/74/1062916374.db2.gz ZCPLWIFALSSFML-DNVJHFABSA-N 1 1 494.750 2.859 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001295084037 1062917599 /nfs/dbraw/zinc/91/75/99/1062917599.db2.gz NVNYNOAUMZBZPS-ZRZAMGCNSA-N 1 1 497.688 2.639 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccn3C)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001291013433 1062920391 /nfs/dbraw/zinc/92/03/91/1062920391.db2.gz NGUYXHFMTYRLSN-KDURUIRLSA-N 1 1 450.653 2.523 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013612 1062920986 /nfs/dbraw/zinc/92/09/86/1062920986.db2.gz PJWDCULWRZTYTO-WCIQWLHISA-N 1 1 455.669 2.757 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013785 1062921689 /nfs/dbraw/zinc/92/16/89/1062921689.db2.gz RQYQKPXGCJYZQW-VIYGXFRKSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291014949 1062925173 /nfs/dbraw/zinc/92/51/73/1062925173.db2.gz KTWDBONTRAAKEX-XJUOHMSHSA-N 1 1 489.686 2.891 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001291018437 1062932264 /nfs/dbraw/zinc/93/22/64/1062932264.db2.gz GIXMLXSBEABKNE-WKDRNLAYSA-N 1 1 454.619 2.783 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287481184 1062936265 /nfs/dbraw/zinc/93/62/65/1062936265.db2.gz CMQPBYWKNZYYIF-IBGZPJMESA-N 1 1 473.632 2.823 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001287481430 1062936918 /nfs/dbraw/zinc/93/69/18/1062936918.db2.gz CNTVCJVYRYFESE-SFHVURJKSA-N 1 1 463.424 2.983 20 0 JFADMO C[C@@H]1C[C@H](CCn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001291020830 1062937934 /nfs/dbraw/zinc/93/79/34/1062937934.db2.gz KWHLQOQNALAYIP-BAGYTPMASA-N 1 1 475.659 2.911 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001295126023 1062939754 /nfs/dbraw/zinc/93/97/54/1062939754.db2.gz CICRWWUWKNPHEM-QHCPKHFHSA-N 1 1 468.646 2.977 20 0 JFADMO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287486014 1062942272 /nfs/dbraw/zinc/94/22/72/1062942272.db2.gz BFOLYYQKKSDLBS-MRXNPFEDSA-N 1 1 455.529 2.559 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287486848 1062943405 /nfs/dbraw/zinc/94/34/05/1062943405.db2.gz LRQNQACIEHMZPB-GMAHTHKFSA-N 1 1 488.702 2.511 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(I)cc1 ZINC001287486972 1062944132 /nfs/dbraw/zinc/94/41/32/1062944132.db2.gz OFDRWMKEHBGMKF-SFHVURJKSA-N 1 1 481.382 2.650 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(I)cc1 ZINC001287486972 1062944157 /nfs/dbraw/zinc/94/41/57/1062944157.db2.gz OFDRWMKEHBGMKF-SFHVURJKSA-N 1 1 481.382 2.650 20 0 JFADMO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC001295137578 1062957020 /nfs/dbraw/zinc/95/70/20/1062957020.db2.gz QIBUGXGNLQOJAD-QHCPKHFHSA-N 1 1 461.010 2.697 20 0 JFADMO C[C@@H]1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291029638 1062957497 /nfs/dbraw/zinc/95/74/97/1062957497.db2.gz BLWOUIMOPMIRHF-ZRNYENFQSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291029638 1062957520 /nfs/dbraw/zinc/95/75/20/1062957520.db2.gz BLWOUIMOPMIRHF-ZRNYENFQSA-N 1 1 490.674 2.630 20 0 JFADMO C[N@H+]1C[C@H](C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC001295140782 1062958736 /nfs/dbraw/zinc/95/87/36/1062958736.db2.gz GTGKBDJBRZQOPB-MOPGFXCFSA-N 1 1 456.486 2.821 20 0 JFADMO C[C@@H]1C[C@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291032383 1062963429 /nfs/dbraw/zinc/96/34/29/1062963429.db2.gz OKJNDEWOXMYJDA-NFBKMPQASA-N 1 1 482.654 2.798 20 0 JFADMO C[C@@H]1C[C@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291032383 1062963446 /nfs/dbraw/zinc/96/34/46/1062963446.db2.gz OKJNDEWOXMYJDA-NFBKMPQASA-N 1 1 482.654 2.798 20 0 JFADMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145454 1062966362 /nfs/dbraw/zinc/96/63/62/1062966362.db2.gz DHUVGZGIUBCHLP-FJIJVGMHSA-N 1 1 451.611 2.909 20 0 JFADMO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295147809 1062968447 /nfs/dbraw/zinc/96/84/47/1062968447.db2.gz MYPPBIXUPNMCSF-APWZRJJASA-N 1 1 476.578 2.776 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)CC1 ZINC001291051374 1062981669 /nfs/dbraw/zinc/98/16/69/1062981669.db2.gz DURMAZQNRQXXTM-KDURUIRLSA-N 1 1 474.053 2.682 20 0 JFADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC001295161903 1062985321 /nfs/dbraw/zinc/98/53/21/1062985321.db2.gz SBAALNURLRSQGB-SFHVURJKSA-N 1 1 460.648 2.916 20 0 JFADMO CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287567541 1062989120 /nfs/dbraw/zinc/98/91/20/1062989120.db2.gz RDGBFLVQOGGQCY-DHIUTWEWSA-N 1 1 462.683 2.840 20 0 JFADMO CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001287572411 1062990803 /nfs/dbraw/zinc/99/08/03/1062990803.db2.gz CJYCEVIGLYNRNS-JOCHJYFZSA-N 1 1 454.619 2.611 20 0 JFADMO CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287580921 1062993523 /nfs/dbraw/zinc/99/35/23/1062993523.db2.gz SGHBEHBFGPWEPU-UHFFFAOYSA-N 1 1 453.595 2.514 20 0 JFADMO CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001287580921 1062993543 /nfs/dbraw/zinc/99/35/43/1062993543.db2.gz SGHBEHBFGPWEPU-UHFFFAOYSA-N 1 1 453.595 2.514 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC001291062161 1062999903 /nfs/dbraw/zinc/99/99/03/1062999903.db2.gz MNCDYRKJBIEZHI-XPPIMPSXSA-N 1 1 489.709 2.677 20 0 JFADMO CC1CCC([NH+]2CCN(c3nnc(Cc4ccsc4)n3CCS(C)(=O)=O)CC2)CC1 ZINC001291062475 1063001210 /nfs/dbraw/zinc/00/12/10/1063001210.db2.gz ZGNSYZXPUFIMAM-UHFFFAOYSA-N 1 1 451.662 2.676 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291063021 1063002816 /nfs/dbraw/zinc/00/28/16/1063002816.db2.gz IYMBHAOCRCCTAU-IAGOWNOFSA-N 1 1 474.675 2.942 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291063021 1063002836 /nfs/dbraw/zinc/00/28/36/1063002836.db2.gz IYMBHAOCRCCTAU-IAGOWNOFSA-N 1 1 474.675 2.942 20 0 JFADMO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287627780 1063008746 /nfs/dbraw/zinc/00/87/46/1063008746.db2.gz KXMAOKVRDPHGNL-NJDAHSKKSA-N 1 1 460.667 2.986 20 0 JFADMO CCn1c2ccc(C(=O)N(Cc3ccc(O)cc3)C[C@H]3CCC[N@H+]3CC)cc2[nH]c(=O)c1=O ZINC001295188486 1063011275 /nfs/dbraw/zinc/01/12/75/1063011275.db2.gz YGPPKRIGUVOQAA-LJQANCHMSA-N 1 1 450.539 2.542 20 0 JFADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001291073975 1063022045 /nfs/dbraw/zinc/02/20/45/1063022045.db2.gz JDHNELVODYMERW-CEMLEFRQSA-N 1 1 496.722 2.890 20 0 JFADMO CC(C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287683298 1063037444 /nfs/dbraw/zinc/03/74/44/1063037444.db2.gz MWYZNDNZFFKNIN-QFIPXVFZSA-N 1 1 470.666 2.901 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC001295220215 1063038913 /nfs/dbraw/zinc/03/89/13/1063038913.db2.gz VBNVAWRFFMMLAX-VQTJNVASSA-N 1 1 470.684 2.500 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC001295220213 1063039071 /nfs/dbraw/zinc/03/90/71/1063039071.db2.gz VBNVAWRFFMMLAX-PMACEKPBSA-N 1 1 470.684 2.500 20 0 JFADMO CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001287713969 1063047487 /nfs/dbraw/zinc/04/74/87/1063047487.db2.gz ZWSHDMDUNWGHOZ-LJQANCHMSA-N 1 1 462.664 2.893 20 0 JFADMO CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287717198 1063048356 /nfs/dbraw/zinc/04/83/56/1063048356.db2.gz SKBTUDKVCGJJTN-IBGZPJMESA-N 1 1 462.545 2.945 20 0 JFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001295227930 1063049527 /nfs/dbraw/zinc/04/95/27/1063049527.db2.gz RCPXFYZVJNNMKX-NRFANRHFSA-N 1 1 455.640 3.000 20 0 JFADMO CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295228298 1063050474 /nfs/dbraw/zinc/05/04/74/1063050474.db2.gz OVNXLDCREWMBTK-VXKWHMMOSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095507 1063054663 /nfs/dbraw/zinc/05/46/63/1063054663.db2.gz MUDSTHANYCKFGE-WOJBJXKFSA-N 1 1 470.666 2.932 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096230 1063057104 /nfs/dbraw/zinc/05/71/04/1063057104.db2.gz ABIYNFGGPILKLM-BHIFYINESA-N 1 1 497.706 2.672 20 0 JFADMO CC(C)CN1C[C@@H]2CN(c3nnc(COc4ccc(F)cc4)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287734026 1063058513 /nfs/dbraw/zinc/05/85/13/1063058513.db2.gz VWPYFNSIGOZSOS-NRFANRHFSA-N 1 1 487.624 2.919 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 ZINC001291096864 1063059211 /nfs/dbraw/zinc/05/92/11/1063059211.db2.gz LVAAEUGSGMUBHN-NJYVYQBISA-N 1 1 467.680 2.698 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097044 1063059560 /nfs/dbraw/zinc/05/95/60/1063059560.db2.gz PBJYNJPTPURHIJ-PMACEKPBSA-N 1 1 488.681 2.514 20 0 JFADMO CCN(c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295240037 1063059487 /nfs/dbraw/zinc/05/94/87/1063059487.db2.gz LCMYUFCSXZXKJN-IFMALSPDSA-N 1 1 459.660 2.951 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccon2)C1 ZINC001287734197 1063059504 /nfs/dbraw/zinc/05/95/04/1063059504.db2.gz ZWZUOYJSUBXITH-GOSISDBHSA-N 1 1 452.563 2.918 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001287736525 1063059699 /nfs/dbraw/zinc/05/96/99/1063059699.db2.gz AUUQTFOXEYEXEL-LEWJYISDSA-N 1 1 474.675 2.783 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291098636 1063063042 /nfs/dbraw/zinc/06/30/42/1063063042.db2.gz RKJQSQCFJCGQTH-LEWJYISDSA-N 1 1 474.675 2.975 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001287739966 1063064476 /nfs/dbraw/zinc/06/44/76/1063064476.db2.gz BYQWMMOACFNWCA-KNQAVFIVSA-N 1 1 493.649 2.988 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291099231 1063064723 /nfs/dbraw/zinc/06/47/23/1063064723.db2.gz DGBCHFMPDBFOHR-IEBWSBKVSA-N 1 1 451.662 2.818 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001291099256 1063065599 /nfs/dbraw/zinc/06/55/99/1063065599.db2.gz DOCJJWITODDUOK-VSKRKVRLSA-N 1 1 496.722 2.892 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740488 1063065645 /nfs/dbraw/zinc/06/56/45/1063065645.db2.gz WBIXTIWHATVDPZ-RTBURBONSA-N 1 1 492.665 2.958 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1S(C)(=O)=O ZINC001291099474 1063065932 /nfs/dbraw/zinc/06/59/32/1063065932.db2.gz IJKPDRLQZPBMRV-PMACEKPBSA-N 1 1 492.665 2.743 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001291099560 1063066045 /nfs/dbraw/zinc/06/60/45/1063066045.db2.gz JPVIWOCPMVXKQL-FQEVSTJZSA-N 1 1 482.677 2.952 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC001287740956 1063066747 /nfs/dbraw/zinc/06/67/47/1063066747.db2.gz XEPSTJPANPJUAS-FQEVSTJZSA-N 1 1 468.650 2.590 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001291099777 1063066823 /nfs/dbraw/zinc/06/68/23/1063066823.db2.gz MXTQLJKCFUFONC-QYZOEREBSA-N 1 1 486.583 2.941 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287740929 1063066874 /nfs/dbraw/zinc/06/68/74/1063066874.db2.gz XBBWANHDOBPUJE-NRFANRHFSA-N 1 1 499.685 2.980 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001287740828 1063066922 /nfs/dbraw/zinc/06/69/22/1063066922.db2.gz HFNNQOOXSOKZFO-IBGZPJMESA-N 1 1 468.712 2.753 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCC[C@H]1C)S(C)(=O)=O ZINC001291100292 1063068111 /nfs/dbraw/zinc/06/81/11/1063068111.db2.gz XIXNNLFNAIRCMS-HSALFYBXSA-N 1 1 462.664 2.786 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001291101338 1063071787 /nfs/dbraw/zinc/07/17/87/1063071787.db2.gz RHNJANKCMUTXMI-FQEVSTJZSA-N 1 1 487.693 2.719 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291102148 1063075035 /nfs/dbraw/zinc/07/50/35/1063075035.db2.gz IDLBIXFPOUQRKU-BZUAXINKSA-N 1 1 458.529 2.507 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291102822 1063078885 /nfs/dbraw/zinc/07/88/85/1063078885.db2.gz TVASCWJJPTVQGC-RBUKOAKNSA-N 1 1 475.663 2.649 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291103563 1063080410 /nfs/dbraw/zinc/08/04/10/1063080410.db2.gz GWIDRMBQQYWQIU-LJQANCHMSA-N 1 1 466.696 2.603 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)CC1)S(C)(=O)=O ZINC001295265867 1063081694 /nfs/dbraw/zinc/08/16/94/1063081694.db2.gz ALLSBIQYSBZFOC-FQEVSTJZSA-N 1 1 466.696 2.843 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001291104198 1063083638 /nfs/dbraw/zinc/08/36/38/1063083638.db2.gz QPPUAKCIZWPODV-PZJWPPBQSA-N 1 1 480.723 2.849 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104387 1063084476 /nfs/dbraw/zinc/08/44/76/1063084476.db2.gz TVUKLUUVCIWDQB-QYZOEREBSA-N 1 1 477.654 2.640 20 0 JFADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105622 1063088644 /nfs/dbraw/zinc/08/86/44/1063088644.db2.gz LJASHYAFHAQZJI-YSTOQKLRSA-N 1 1 489.665 2.795 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291105882 1063089540 /nfs/dbraw/zinc/08/95/40/1063089540.db2.gz PAATWXGUDQNPOF-UAFMIMERSA-N 1 1 454.685 2.881 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295269060 1063089758 /nfs/dbraw/zinc/08/97/58/1063089758.db2.gz AXKDLOZTWPWFKL-PMACEKPBSA-N 1 1 489.690 2.711 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105982 1063089951 /nfs/dbraw/zinc/08/99/51/1063089951.db2.gz QHWJPNAIHFTEKZ-PMACEKPBSA-N 1 1 474.675 2.831 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105985 1063090009 /nfs/dbraw/zinc/09/00/09/1063090009.db2.gz QHWJPNAIHFTEKZ-WOJBJXKFSA-N 1 1 474.675 2.831 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106005 1063090730 /nfs/dbraw/zinc/09/07/30/1063090730.db2.gz QNSFJVLVNLYVCK-WIEQDCTASA-N 1 1 478.439 2.858 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(C1)CCCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC001291106684 1063094984 /nfs/dbraw/zinc/09/49/84/1063094984.db2.gz ZGZRAFKPTQWVJB-NJYVYQBISA-N 1 1 496.722 2.938 20 0 JFADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107687 1063097558 /nfs/dbraw/zinc/09/75/58/1063097558.db2.gz LQEZGSOZQJEDEL-NHCUHLMSSA-N 1 1 458.626 2.897 20 0 JFADMO C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291108569 1063101851 /nfs/dbraw/zinc/10/18/51/1063101851.db2.gz XTZWNZUZMHPSCO-WOJBJXKFSA-N 1 1 487.674 2.508 20 0 JFADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291109100 1063103276 /nfs/dbraw/zinc/10/32/76/1063103276.db2.gz GPVWBCRQNPABAH-QRVBRYPASA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001291109467 1063104252 /nfs/dbraw/zinc/10/42/52/1063104252.db2.gz MQKXCVHGXYBEFL-WOJBJXKFSA-N 1 1 455.607 2.789 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291112814 1063116264 /nfs/dbraw/zinc/11/62/64/1063116264.db2.gz RFRDMCWVVIABOU-DRLORSAXSA-N 1 1 490.693 2.888 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291119809 1063128634 /nfs/dbraw/zinc/12/86/34/1063128634.db2.gz QDRVLUMLSFKMCV-NJDAHSKKSA-N 1 1 492.665 2.670 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291119808 1063128735 /nfs/dbraw/zinc/12/87/35/1063128735.db2.gz QDRVLUMLSFKMCV-HKBOAZHASA-N 1 1 492.665 2.670 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123018 1063136184 /nfs/dbraw/zinc/13/61/84/1063136184.db2.gz CLYHVOYJPJTCMD-ANULTFPQSA-N 1 1 482.695 2.548 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295291953 1063137844 /nfs/dbraw/zinc/13/78/44/1063137844.db2.gz JBFPIZUNGDDZRG-REWPJTCUSA-N 1 1 452.603 2.873 20 0 JFADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123674 1063139327 /nfs/dbraw/zinc/13/93/27/1063139327.db2.gz OUQHWJGWBKMKGD-LEWJYISDSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001291124211 1063141333 /nfs/dbraw/zinc/14/13/33/1063141333.db2.gz ZLPZNMSQVBIALJ-YBJWPOLQSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291124263 1063142494 /nfs/dbraw/zinc/14/24/94/1063142494.db2.gz ACGGRLYBLVAONX-HXUWFJFHSA-N 1 1 474.675 2.738 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)C1 ZINC001291125486 1063147949 /nfs/dbraw/zinc/14/79/49/1063147949.db2.gz VIEUZVBXRNLCOP-QRVBRYPASA-N 1 1 455.694 2.634 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291125733 1063149740 /nfs/dbraw/zinc/14/97/40/1063149740.db2.gz AFXHIHYAXVZALP-QFIPXVFZSA-N 1 1 467.662 2.513 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291125733 1063149750 /nfs/dbraw/zinc/14/97/50/1063149750.db2.gz AFXHIHYAXVZALP-QFIPXVFZSA-N 1 1 467.662 2.513 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291125893 1063151080 /nfs/dbraw/zinc/15/10/80/1063151080.db2.gz CUFWZOGVQZAHFB-PWRODBHTSA-N 1 1 481.707 2.944 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126013 1063152205 /nfs/dbraw/zinc/15/22/05/1063152205.db2.gz FIISPIDWYOGTTL-SJORKVTESA-N 1 1 469.055 2.910 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126012 1063152245 /nfs/dbraw/zinc/15/22/45/1063152245.db2.gz FIISPIDWYOGTTL-IRXDYDNUSA-N 1 1 469.055 2.910 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126223 1063153591 /nfs/dbraw/zinc/15/35/91/1063153591.db2.gz IKMPAHPNKQUFHZ-QGZVFWFLSA-N 1 1 463.030 2.840 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126421 1063154643 /nfs/dbraw/zinc/15/46/43/1063154643.db2.gz MEBVPPOJVXTSKF-GGAORHGYSA-N 1 1 468.646 2.986 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126956 1063157929 /nfs/dbraw/zinc/15/79/29/1063157929.db2.gz WHDRCDQTKLNQBF-RBBKRZOGSA-N 1 1 454.619 2.944 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(N3CCN(S(C)(=O)=O)[C@@H](C)C3)nnc2C(C)(C)C)C1 ZINC001291127008 1063158859 /nfs/dbraw/zinc/15/88/59/1063158859.db2.gz XFEFSLHNAJLHBJ-MOPGFXCFSA-N 1 1 454.685 2.558 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127096 1063159114 /nfs/dbraw/zinc/15/91/14/1063159114.db2.gz YQFRHIMKEPQEDB-LEWJYISDSA-N 1 1 481.645 2.638 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001291127793 1063161979 /nfs/dbraw/zinc/16/19/79/1063161979.db2.gz MICCRUXTENVDTG-UXHICEINSA-N 1 1 470.666 2.789 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291128795 1063166581 /nfs/dbraw/zinc/16/65/81/1063166581.db2.gz CTDIKQYNYKUSMW-ZWKOTPCHSA-N 1 1 451.612 2.609 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001291129026 1063167572 /nfs/dbraw/zinc/16/75/72/1063167572.db2.gz HHEFDOQKMMBOIF-CVEARBPZSA-N 1 1 461.554 2.611 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291129053 1063168701 /nfs/dbraw/zinc/16/87/01/1063168701.db2.gz HTVDBHRNYMZCIP-QGZVFWFLSA-N 1 1 451.662 2.676 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129327 1063170009 /nfs/dbraw/zinc/17/00/09/1063170009.db2.gz MIOMWJDUJISEFM-ZWKOTPCHSA-N 1 1 461.010 2.909 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129857 1063174544 /nfs/dbraw/zinc/17/45/44/1063174544.db2.gz WMITZUCDDUBZCN-QYZOEREBSA-N 1 1 481.638 2.986 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001291129937 1063174639 /nfs/dbraw/zinc/17/46/39/1063174639.db2.gz XJVXEYWYXZLMCI-WOJBJXKFSA-N 1 1 462.639 2.961 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291130760 1063177748 /nfs/dbraw/zinc/17/77/48/1063177748.db2.gz OQRSFBOAWLIGFE-OTNCWRBYSA-N 1 1 479.666 2.681 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001291131116 1063179090 /nfs/dbraw/zinc/17/90/90/1063179090.db2.gz VLTYQJFSMZLXQI-UFYCRDLUSA-N 1 1 489.665 2.749 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccco1 ZINC001291135657 1063187897 /nfs/dbraw/zinc/18/78/97/1063187897.db2.gz HAUQOWCFVDGXOM-SFHVURJKSA-N 1 1 472.615 2.909 20 0 JFADMO C[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291135823 1063188875 /nfs/dbraw/zinc/18/88/75/1063188875.db2.gz KPECHQIBXVEDCD-WIYYLYMNSA-N 1 1 458.582 2.928 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291135904 1063189931 /nfs/dbraw/zinc/18/99/31/1063189931.db2.gz MEIPONAGFMPTTO-CABCVRRESA-N 1 1 479.398 2.998 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001295315669 1063190497 /nfs/dbraw/zinc/19/04/97/1063190497.db2.gz YWDGOQSJGZREDJ-SANMLTNESA-N 1 1 484.645 2.903 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295315720 1063191583 /nfs/dbraw/zinc/19/15/83/1063191583.db2.gz ZRRUOOAULQUDOI-UYAOXDASSA-N 1 1 490.052 2.799 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291136567 1063193248 /nfs/dbraw/zinc/19/32/48/1063193248.db2.gz ZLMSKSNQRHWTNG-ZWKOTPCHSA-N 1 1 484.605 2.513 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291136565 1063193499 /nfs/dbraw/zinc/19/34/99/1063193499.db2.gz ZLMSKSNQRHWTNG-QZTJIDSGSA-N 1 1 484.605 2.513 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291136741 1063194170 /nfs/dbraw/zinc/19/41/70/1063194170.db2.gz CSYHIYYDRMTVEG-CQSZACIVSA-N 1 1 451.501 2.552 20 0 JFADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137327 1063194203 /nfs/dbraw/zinc/19/42/03/1063194203.db2.gz ORHFVHVEMOEFIU-WSTZPKSXSA-N 1 1 476.647 2.501 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291139039 1063201775 /nfs/dbraw/zinc/20/17/75/1063201775.db2.gz UXYZQOFSUYUUIR-ICSRJNTNSA-N 1 1 463.623 2.896 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccncc2)CC1 ZINC001295326861 1063217272 /nfs/dbraw/zinc/21/72/72/1063217272.db2.gz DWRJENWBSDEHHV-UHFFFAOYSA-N 1 1 491.640 2.972 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccncc2)CC1 ZINC001295326861 1063217297 /nfs/dbraw/zinc/21/72/97/1063217297.db2.gz DWRJENWBSDEHHV-UHFFFAOYSA-N 1 1 491.640 2.972 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3C)n2Cc2cnn(C)c2C)CC1 ZINC001295326891 1063217949 /nfs/dbraw/zinc/21/79/49/1063217949.db2.gz FQZWLUQTKNUHRM-UHFFFAOYSA-N 1 1 478.645 2.724 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3C)n2Cc2cnn(C)c2C)CC1 ZINC001295326891 1063217965 /nfs/dbraw/zinc/21/79/65/1063217965.db2.gz FQZWLUQTKNUHRM-UHFFFAOYSA-N 1 1 478.645 2.724 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCCC2)CC1 ZINC001295326939 1063219444 /nfs/dbraw/zinc/21/94/44/1063219444.db2.gz HLJVXOOBFIGDGS-UHFFFAOYSA-N 1 1 484.645 2.639 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCCC2)CC1 ZINC001295326939 1063219460 /nfs/dbraw/zinc/21/94/60/1063219460.db2.gz HLJVXOOBFIGDGS-UHFFFAOYSA-N 1 1 484.645 2.639 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001295327267 1063222340 /nfs/dbraw/zinc/22/23/40/1063222340.db2.gz PXZBWKMCKVPARY-AREMUKBSSA-N 1 1 479.629 2.561 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001295327267 1063222360 /nfs/dbraw/zinc/22/23/60/1063222360.db2.gz PXZBWKMCKVPARY-AREMUKBSSA-N 1 1 479.629 2.561 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 ZINC001295328073 1063226628 /nfs/dbraw/zinc/22/66/28/1063226628.db2.gz BWSSAOWLKDVELN-UHFFFAOYSA-N 1 1 493.660 2.585 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 ZINC001295328073 1063226648 /nfs/dbraw/zinc/22/66/48/1063226648.db2.gz BWSSAOWLKDVELN-UHFFFAOYSA-N 1 1 493.660 2.585 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001295329336 1063228455 /nfs/dbraw/zinc/22/84/55/1063228455.db2.gz SRFPOTZMXWKOOL-QGZVFWFLSA-N 1 1 462.561 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 ZINC001295329336 1063228474 /nfs/dbraw/zinc/22/84/74/1063228474.db2.gz SRFPOTZMXWKOOL-QGZVFWFLSA-N 1 1 462.561 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001295329224 1063228572 /nfs/dbraw/zinc/22/85/72/1063228572.db2.gz PVPJDQRGHFEFNU-UHFFFAOYSA-N 1 1 468.646 2.715 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001295329224 1063228590 /nfs/dbraw/zinc/22/85/90/1063228590.db2.gz PVPJDQRGHFEFNU-UHFFFAOYSA-N 1 1 468.646 2.715 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001295330489 1063230273 /nfs/dbraw/zinc/23/02/73/1063230273.db2.gz YFUMNVBGFGGOMH-QHCPKHFHSA-N 1 1 462.664 2.751 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cccs2)CC1 ZINC001295330489 1063230292 /nfs/dbraw/zinc/23/02/92/1063230292.db2.gz YFUMNVBGFGGOMH-QHCPKHFHSA-N 1 1 462.664 2.751 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2CCn2cnc3ccccc32)CC1 ZINC001295334349 1063237128 /nfs/dbraw/zinc/23/71/28/1063237128.db2.gz LCQPHKKCQUGULA-UHFFFAOYSA-N 1 1 480.661 2.907 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2CCn2cnc3ccccc32)CC1 ZINC001295334349 1063237146 /nfs/dbraw/zinc/23/71/46/1063237146.db2.gz LCQPHKKCQUGULA-UHFFFAOYSA-N 1 1 480.661 2.907 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)OC)CC1 ZINC001295334360 1063238389 /nfs/dbraw/zinc/23/83/89/1063238389.db2.gz LOYBUZAOTOOVDD-UHFFFAOYSA-N 1 1 492.615 2.953 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)OC)CC1 ZINC001295334360 1063238409 /nfs/dbraw/zinc/23/84/09/1063238409.db2.gz LOYBUZAOTOOVDD-UHFFFAOYSA-N 1 1 492.615 2.953 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001291152369 1063241763 /nfs/dbraw/zinc/24/17/63/1063241763.db2.gz MQEDZLQVCSJGHP-MOPGFXCFSA-N 1 1 461.632 2.696 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2CC(F)(F)C2)CC1 ZINC001295334658 1063241811 /nfs/dbraw/zinc/24/18/11/1063241811.db2.gz RTJQESQMJQALST-LJQANCHMSA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2CC(F)(F)C2)CC1 ZINC001295334658 1063241833 /nfs/dbraw/zinc/24/18/33/1063241833.db2.gz RTJQESQMJQALST-LJQANCHMSA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295334671 1063242732 /nfs/dbraw/zinc/24/27/32/1063242732.db2.gz SALRKYZJBMHALQ-UHFFFAOYSA-N 1 1 472.609 2.807 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295334671 1063242751 /nfs/dbraw/zinc/24/27/51/1063242751.db2.gz SALRKYZJBMHALQ-UHFFFAOYSA-N 1 1 472.609 2.807 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CO)c2)CC1 ZINC001295334672 1063242790 /nfs/dbraw/zinc/24/27/90/1063242790.db2.gz SBAKWUNGODWYHV-UHFFFAOYSA-N 1 1 470.662 2.788 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccc(CO)c2)CC1 ZINC001295334672 1063242809 /nfs/dbraw/zinc/24/28/09/1063242809.db2.gz SBAKWUNGODWYHV-UHFFFAOYSA-N 1 1 470.662 2.788 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 ZINC001295334879 1063245334 /nfs/dbraw/zinc/24/53/34/1063245334.db2.gz VKDCNQJTWIUECG-AREMUKBSSA-N 1 1 486.636 2.550 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 ZINC001295334879 1063245356 /nfs/dbraw/zinc/24/53/56/1063245356.db2.gz VKDCNQJTWIUECG-AREMUKBSSA-N 1 1 486.636 2.550 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2Cc2nccs2)CC1 ZINC001295334948 1063246412 /nfs/dbraw/zinc/24/64/12/1063246412.db2.gz JXRVBGFCHSLMBY-UHFFFAOYSA-N 1 1 481.670 2.949 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2Cc2nccs2)CC1 ZINC001295334948 1063246435 /nfs/dbraw/zinc/24/64/35/1063246435.db2.gz JXRVBGFCHSLMBY-UHFFFAOYSA-N 1 1 481.670 2.949 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2occc2C)CC1 ZINC001295335050 1063248202 /nfs/dbraw/zinc/24/82/02/1063248202.db2.gz XJKQOWKWTSMULB-UHFFFAOYSA-N 1 1 465.602 2.594 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2occc2C)CC1 ZINC001295335050 1063248224 /nfs/dbraw/zinc/24/82/24/1063248224.db2.gz XJKQOWKWTSMULB-UHFFFAOYSA-N 1 1 465.602 2.594 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248278 /nfs/dbraw/zinc/24/82/78/1063248278.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295335089 1063249373 /nfs/dbraw/zinc/24/93/73/1063249373.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 1 1 496.704 2.519 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295335107 1063249457 /nfs/dbraw/zinc/24/94/57/1063249457.db2.gz YYNCLPOFZGFMAT-WOJBJXKFSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295335107 1063249477 /nfs/dbraw/zinc/24/94/77/1063249477.db2.gz YYNCLPOFZGFMAT-WOJBJXKFSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295335307 1063250925 /nfs/dbraw/zinc/25/09/25/1063250925.db2.gz SHMKECHXAFEKGQ-NRFANRHFSA-N 1 1 461.699 2.686 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295335587 1063253438 /nfs/dbraw/zinc/25/34/38/1063253438.db2.gz CAPZAERLIQQALO-UHFFFAOYSA-N 1 1 476.069 2.929 20 0 JFADMO C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177285 1063265197 /nfs/dbraw/zinc/26/51/97/1063265197.db2.gz PYWLTCAYUKUPFZ-ICSRJNTNSA-N 1 1 458.582 2.785 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295338404 1063266141 /nfs/dbraw/zinc/26/61/41/1063266141.db2.gz ODSLUOKUVQEDLT-VXKWHMMOSA-N 1 1 475.726 2.978 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295345289 1063282805 /nfs/dbraw/zinc/28/28/05/1063282805.db2.gz ZDNFZVKJZHPKJD-UHFFFAOYSA-N 1 1 461.699 2.589 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001291184942 1063284619 /nfs/dbraw/zinc/28/46/19/1063284619.db2.gz PIJNRQHCOQWJPR-IXDOHACOSA-N 1 1 463.570 2.547 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291186401 1063290217 /nfs/dbraw/zinc/29/02/17/1063290217.db2.gz DTDKRYNDJWUEEW-KDURUIRLSA-N 1 1 450.591 2.697 20 0 JFADMO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294584 /nfs/dbraw/zinc/29/45/84/1063294584.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 1 1 450.672 2.835 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291187774 1063298272 /nfs/dbraw/zinc/29/82/72/1063298272.db2.gz ZGJNYHYKEQVXOB-HSALFYBXSA-N 1 1 496.722 2.589 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291187959 1063298795 /nfs/dbraw/zinc/29/87/95/1063298795.db2.gz BRPMQZORZJEEKP-HDICACEKSA-N 1 1 472.609 2.598 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001291188030 1063299650 /nfs/dbraw/zinc/29/96/50/1063299650.db2.gz DEDBWBWCAOPDLG-BGYRXZFFSA-N 1 1 454.619 2.925 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001291188184 1063301436 /nfs/dbraw/zinc/30/14/36/1063301436.db2.gz GMJRTQWUMMAOPY-KDURUIRLSA-N 1 1 450.591 2.578 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295353973 1063305801 /nfs/dbraw/zinc/30/58/01/1063305801.db2.gz DKNRIPYGYGQNLF-OYRHEFFESA-N 1 1 477.698 2.950 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295355557 1063309334 /nfs/dbraw/zinc/30/93/34/1063309334.db2.gz NBCKSCSBPZYGMF-VXKWHMMOSA-N 1 1 475.682 2.734 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295356026 1063311061 /nfs/dbraw/zinc/31/10/61/1063311061.db2.gz YQLYUZMRPOPFHS-JOCHJYFZSA-N 1 1 485.681 2.598 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001291189621 1063311329 /nfs/dbraw/zinc/31/13/29/1063311329.db2.gz FBEHDQSWYOIJMB-KRWDZBQOSA-N 1 1 453.978 2.792 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001291196264 1063337855 /nfs/dbraw/zinc/33/78/55/1063337855.db2.gz IBMSNXIBCHAIAI-IBGZPJMESA-N 1 1 467.618 2.756 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291197241 1063341781 /nfs/dbraw/zinc/34/17/81/1063341781.db2.gz ADSDTOMCYYXBRU-RTBURBONSA-N 1 1 496.616 2.537 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001291197383 1063343038 /nfs/dbraw/zinc/34/30/38/1063343038.db2.gz DCZCHOXIUMHCQQ-CVEARBPZSA-N 1 1 469.512 2.812 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001291197385 1063343110 /nfs/dbraw/zinc/34/31/10/1063343110.db2.gz DCZCHOXIUMHCQQ-HZPDHXFCSA-N 1 1 469.512 2.812 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CCS1 ZINC001291199168 1063351660 /nfs/dbraw/zinc/35/16/60/1063351660.db2.gz IKEPRZHJPBZZGB-INIZCTEOSA-N 1 1 481.091 2.852 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@H]1[NH+]1CCOCC1 ZINC001291200900 1063356571 /nfs/dbraw/zinc/35/65/71/1063356571.db2.gz MISMGVPZHNRXNN-DOTOQJQBSA-N 1 1 463.424 2.938 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001291201645 1063357140 /nfs/dbraw/zinc/35/71/40/1063357140.db2.gz YTTHGUHXDAQOFO-NQIIRXRSSA-N 1 1 469.634 2.874 20 0 JFADMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383929 1063357642 /nfs/dbraw/zinc/35/76/42/1063357642.db2.gz FYDRBFZTINAPJT-JBACZVJFSA-N 1 1 458.603 2.654 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295383913 1063357960 /nfs/dbraw/zinc/35/79/60/1063357960.db2.gz CZWCFHKWFSOBRL-KMDXXIMOSA-N 1 1 483.705 2.987 20 0 JFADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c12 ZINC001295384271 1063359277 /nfs/dbraw/zinc/35/92/77/1063359277.db2.gz ISLDQWYUGREPPC-FQEVSTJZSA-N 1 1 454.619 2.997 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001295387582 1063364940 /nfs/dbraw/zinc/36/49/40/1063364940.db2.gz GHUFYIIYIBLQJS-GGAORHGYSA-N 1 1 455.651 2.543 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206458 1063368902 /nfs/dbraw/zinc/36/89/02/1063368902.db2.gz WWUYSIXGHIGSCJ-ZWKOTPCHSA-N 1 1 496.628 2.991 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291208599 1063381625 /nfs/dbraw/zinc/38/16/25/1063381625.db2.gz ZMWXKBAGOMXOQG-YOUFYPILSA-N 1 1 482.695 2.547 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291209809 1063385501 /nfs/dbraw/zinc/38/55/01/1063385501.db2.gz RNEQDUMCOLKGKF-SBHAEUEKSA-N 1 1 488.608 2.725 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295398943 1063386344 /nfs/dbraw/zinc/38/63/44/1063386344.db2.gz VRNPOOVWWJWRGX-IEBWSBKVSA-N 1 1 458.588 2.640 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC001291211603 1063395217 /nfs/dbraw/zinc/39/52/17/1063395217.db2.gz XOWFQPIXKZQVFQ-INIZCTEOSA-N 1 1 481.439 2.772 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)CCCO1 ZINC001291211603 1063395233 /nfs/dbraw/zinc/39/52/33/1063395233.db2.gz XOWFQPIXKZQVFQ-INIZCTEOSA-N 1 1 481.439 2.772 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC001291211604 1063395264 /nfs/dbraw/zinc/39/52/64/1063395264.db2.gz XOWFQPIXKZQVFQ-MRXNPFEDSA-N 1 1 481.439 2.772 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOCC2(C)C)CCCO1 ZINC001291211604 1063395280 /nfs/dbraw/zinc/39/52/80/1063395280.db2.gz XOWFQPIXKZQVFQ-MRXNPFEDSA-N 1 1 481.439 2.772 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001295406768 1063397112 /nfs/dbraw/zinc/39/71/12/1063397112.db2.gz LRKRPKUNZZRACN-MISYRCLQSA-N 1 1 481.688 2.940 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291212045 1063397589 /nfs/dbraw/zinc/39/75/89/1063397589.db2.gz HCHKTZOFNPFHPZ-GASCZTMLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291212045 1063397608 /nfs/dbraw/zinc/39/76/08/1063397608.db2.gz HCHKTZOFNPFHPZ-GASCZTMLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001291213341 1063404392 /nfs/dbraw/zinc/40/43/92/1063404392.db2.gz DEDLHYGPBZXJSP-ROUUACIJSA-N 1 1 490.674 2.682 20 0 JFADMO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC001295414553 1063418124 /nfs/dbraw/zinc/41/81/24/1063418124.db2.gz ZSMCFZVOHOYJBX-FQEVSTJZSA-N 1 1 464.618 2.787 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001291215508 1063427120 /nfs/dbraw/zinc/42/71/20/1063427120.db2.gz QJHCHTXTXZPCMZ-DYESRHJHSA-N 1 1 461.632 2.693 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295428215 1063440788 /nfs/dbraw/zinc/44/07/88/1063440788.db2.gz ORUXFSJVPAQEIH-LJQANCHMSA-N 1 1 477.679 2.750 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291221212 1063451145 /nfs/dbraw/zinc/45/11/45/1063451145.db2.gz RFOWXMXARNVALO-MRXNPFEDSA-N 1 1 499.056 2.988 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291221189 1063451230 /nfs/dbraw/zinc/45/12/30/1063451230.db2.gz QWUAYDRXCNYZEY-JXFKEZNVSA-N 1 1 479.000 2.763 20 0 JFADMO COc1ccc(C(=O)N[C@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC001295448514 1063453009 /nfs/dbraw/zinc/45/30/09/1063453009.db2.gz UZBVJQAQAOTYPG-QHCPKHFHSA-N 1 1 453.583 2.983 20 0 JFADMO COc1ccc(C(=O)N[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC001295448512 1063453054 /nfs/dbraw/zinc/45/30/54/1063453054.db2.gz UZBVJQAQAOTYPG-HSZRJFAPSA-N 1 1 453.583 2.983 20 0 JFADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291222114 1063457225 /nfs/dbraw/zinc/45/72/25/1063457225.db2.gz IRILKZNCWPBFAD-KGLIPLIRSA-N 1 1 479.398 2.996 20 0 JFADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291222116 1063457271 /nfs/dbraw/zinc/45/72/71/1063457271.db2.gz IRILKZNCWPBFAD-ZIAGYGMSSA-N 1 1 479.398 2.996 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001295471946 1063476946 /nfs/dbraw/zinc/47/69/46/1063476946.db2.gz HHRAHSSFSDFEGB-RTWAWAEBSA-N 1 1 480.723 2.611 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291228477 1063478433 /nfs/dbraw/zinc/47/84/33/1063478433.db2.gz SLMLNSOUQUKQPY-DAYGRLMNSA-N 1 1 457.472 2.961 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291232164 1063489355 /nfs/dbraw/zinc/48/93/55/1063489355.db2.gz ICRAEGUNPGSHSL-GOSISDBHSA-N 1 1 460.648 2.864 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291238119 1063505057 /nfs/dbraw/zinc/50/50/57/1063505057.db2.gz JWHRFSOEQWTPNX-SFHVURJKSA-N 1 1 470.622 2.913 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)C1 ZINC001291238449 1063506749 /nfs/dbraw/zinc/50/67/49/1063506749.db2.gz QQJOYPJZKYHSSZ-QGZVFWFLSA-N 1 1 455.632 2.864 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001295511073 1063545684 /nfs/dbraw/zinc/54/56/84/1063545684.db2.gz ATIPVLAMVOCDEY-VXKWHMMOSA-N 1 1 457.667 2.809 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256531 1063549186 /nfs/dbraw/zinc/54/91/86/1063549186.db2.gz WGUDHCRPBNNONR-WOJBJXKFSA-N 1 1 496.722 2.605 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256528 1063549243 /nfs/dbraw/zinc/54/92/43/1063549243.db2.gz WGUDHCRPBNNONR-PMACEKPBSA-N 1 1 496.722 2.605 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001295515687 1063549735 /nfs/dbraw/zinc/54/97/35/1063549735.db2.gz FCMHQUHZINFPAF-DFQSSKMNSA-N 1 1 459.664 2.762 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001291259355 1063552092 /nfs/dbraw/zinc/55/20/92/1063552092.db2.gz QSQVEKQUMLUWIN-WMZOPIPTSA-N 1 1 480.455 2.683 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291262548 1063560394 /nfs/dbraw/zinc/56/03/94/1063560394.db2.gz VGRDBFLTCQPBDO-GOSISDBHSA-N 1 1 484.542 2.803 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291263688 1063562535 /nfs/dbraw/zinc/56/25/35/1063562535.db2.gz OQVMDTZKKNRPMO-SFHVURJKSA-N 1 1 463.623 2.753 20 0 JFADMO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275764 1063583819 /nfs/dbraw/zinc/58/38/19/1063583819.db2.gz YVOGMUOZLLWWMZ-FYYLOGMGSA-N 1 1 468.646 2.621 20 0 JFADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291285071 1063624248 /nfs/dbraw/zinc/62/42/48/1063624248.db2.gz KJPQYCFJMKUMER-LNRXMEIDSA-N 1 1 462.683 2.694 20 0 JFADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291285072 1063624345 /nfs/dbraw/zinc/62/43/45/1063624345.db2.gz KJPQYCFJMKUMER-YUMYIRISSA-N 1 1 462.683 2.694 20 0 JFADMO COc1c(NC(=O)[C@@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1C(N)=O ZINC001295581199 1063624384 /nfs/dbraw/zinc/62/43/84/1063624384.db2.gz WUSSWHZITVDZES-LJQANCHMSA-N 1 1 456.543 2.758 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001295583501 1063627294 /nfs/dbraw/zinc/62/72/94/1063627294.db2.gz HVJSPOIWSWTRON-KNQAVFIVSA-N 1 1 481.645 2.689 20 0 JFADMO C[C@@H]1C[N@H+](Cc2cccc(Cn3c(C4CCC4)nnc3N(C)CCCS(C)(=O)=O)c2)CCO1 ZINC001291285957 1063628631 /nfs/dbraw/zinc/62/86/31/1063628631.db2.gz ABXHKLDYGRXPAQ-LJQANCHMSA-N 1 1 475.659 2.686 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2cccc(Cn3c(C4CCC4)nnc3N(C)CCCS(C)(=O)=O)c2)CCO1 ZINC001291285957 1063628636 /nfs/dbraw/zinc/62/86/36/1063628636.db2.gz ABXHKLDYGRXPAQ-LJQANCHMSA-N 1 1 475.659 2.686 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001291286098 1063629248 /nfs/dbraw/zinc/62/92/48/1063629248.db2.gz CJJXHCKMMGWDIK-CGXNFDGLSA-N 1 1 492.665 2.511 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286308 1063630760 /nfs/dbraw/zinc/63/07/60/1063630760.db2.gz HDHKYTPQIQCMDP-MXEMCNAFSA-N 1 1 492.665 2.716 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295588489 1063633281 /nfs/dbraw/zinc/63/32/81/1063633281.db2.gz HLWWRINOJQAEAN-RDJZCZTQSA-N 1 1 467.039 2.939 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291287023 1063635459 /nfs/dbraw/zinc/63/54/59/1063635459.db2.gz STRNBCGPZWYNIN-QZTJIDSGSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291287023 1063635482 /nfs/dbraw/zinc/63/54/82/1063635482.db2.gz STRNBCGPZWYNIN-QZTJIDSGSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCOCC2)CCS1 ZINC001291287188 1063637183 /nfs/dbraw/zinc/63/71/83/1063637183.db2.gz WTYLMXDWKNBVSJ-QRVBRYPASA-N 1 1 480.679 2.713 20 0 JFADMO CC(C)c1nc([C@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)no1 ZINC001291287630 1063640562 /nfs/dbraw/zinc/64/05/62/1063640562.db2.gz FVVKEPVOHVKJHV-CEXWTWQISA-N 1 1 461.611 2.985 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCO1 ZINC001291287711 1063642455 /nfs/dbraw/zinc/64/24/55/1063642455.db2.gz GOUIJUYPANJXHD-UXHICEINSA-N 1 1 485.633 2.678 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295598536 1063642421 /nfs/dbraw/zinc/64/24/21/1063642421.db2.gz OICUHYRCRDVFFU-JOCHJYFZSA-N 1 1 472.609 2.923 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291287828 1063642970 /nfs/dbraw/zinc/64/29/70/1063642970.db2.gz IGWRCEANWGCHSH-HBMCJLEFSA-N 1 1 476.666 2.797 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 ZINC001291289872 1063659474 /nfs/dbraw/zinc/65/94/74/1063659474.db2.gz RHLDPJJMMXFBKN-AEFFLSMTSA-N 1 1 491.434 2.520 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291289995 1063661457 /nfs/dbraw/zinc/66/14/57/1063661457.db2.gz STSHGSIUGVDHOK-BGYRXZFFSA-N 1 1 454.619 2.926 20 0 JFADMO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290078 1063662168 /nfs/dbraw/zinc/66/21/68/1063662168.db2.gz UTTJBHVAZVEXLQ-OALUTQOASA-N 1 1 483.583 2.857 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CCC(N)=O)CC2)CCCO1 ZINC001291290115 1063662317 /nfs/dbraw/zinc/66/23/17/1063662317.db2.gz VFILUZNGSLXWFG-GOSISDBHSA-N 1 1 490.052 2.976 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291291290 1063668488 /nfs/dbraw/zinc/66/84/88/1063668488.db2.gz MULDXGANHFDGOR-PLACYPQZSA-N 1 1 492.665 2.775 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291291313 1063669356 /nfs/dbraw/zinc/66/93/56/1063669356.db2.gz NAYGUTPBMAICNW-TWMKSMIVSA-N 1 1 458.529 2.507 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291292903 1063679127 /nfs/dbraw/zinc/67/91/27/1063679127.db2.gz LOAZZVHLFUWSKA-VWPQPMDRSA-N 1 1 499.660 2.867 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC001291292912 1063680289 /nfs/dbraw/zinc/68/02/89/1063680289.db2.gz LTQHUYMOONODAE-FGTMMUONSA-N 1 1 478.688 2.711 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291293173 1063682762 /nfs/dbraw/zinc/68/27/62/1063682762.db2.gz QAEDBKMJCQMYRR-OAQYLSRUSA-N 1 1 476.616 2.951 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291293827 1063686293 /nfs/dbraw/zinc/68/62/93/1063686293.db2.gz AGUAZBSRVGSWIK-CALCHBBNSA-N 1 1 479.050 2.659 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294075 1063687948 /nfs/dbraw/zinc/68/79/48/1063687948.db2.gz DVRIRIOZXQCKLR-QAPCUYQASA-N 1 1 461.408 2.859 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294513 1063689716 /nfs/dbraw/zinc/68/97/16/1063689716.db2.gz KUCQJHXZEQKJAV-RYUDHWBXSA-N 1 1 489.390 2.823 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294512 1063689734 /nfs/dbraw/zinc/68/97/34/1063689734.db2.gz KUCQJHXZEQKJAV-NWDGAFQWSA-N 1 1 489.390 2.823 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295649942 1063692481 /nfs/dbraw/zinc/69/24/81/1063692481.db2.gz IVCXTTBUVVKPEW-OAHLLOKOSA-N 1 1 477.411 2.516 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295083 1063693247 /nfs/dbraw/zinc/69/32/47/1063693247.db2.gz ULPXQASAWPHIHL-LSDHHAIUSA-N 1 1 485.486 2.515 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCO1 ZINC001291295411 1063694957 /nfs/dbraw/zinc/69/49/57/1063694957.db2.gz YSLGTWZXPXYMNU-QZTJIDSGSA-N 1 1 492.562 2.653 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001291295377 1063695140 /nfs/dbraw/zinc/69/51/40/1063695140.db2.gz YHVBLRKNQOSPBO-KURKYZTESA-N 1 1 484.605 2.512 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(N(C)CCN3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295473 1063695871 /nfs/dbraw/zinc/69/58/71/1063695871.db2.gz ZKSJECBKLQOYBL-HXUWFJFHSA-N 1 1 450.672 2.624 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001295661724 1063703244 /nfs/dbraw/zinc/70/32/44/1063703244.db2.gz GKWKKQDEVRPLAT-HSZRJFAPSA-N 1 1 499.685 2.829 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291301421 1063708989 /nfs/dbraw/zinc/70/89/89/1063708989.db2.gz CESZZWWOKHFANB-GOSISDBHSA-N 1 1 461.632 2.696 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSCC1 ZINC001291307271 1063722557 /nfs/dbraw/zinc/72/25/57/1063722557.db2.gz PVDGVEXJCXSJQA-HNNXBMFYSA-N 1 1 452.422 2.982 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSCC1 ZINC001291307271 1063722572 /nfs/dbraw/zinc/72/25/72/1063722572.db2.gz PVDGVEXJCXSJQA-HNNXBMFYSA-N 1 1 452.422 2.982 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291307518 1063723585 /nfs/dbraw/zinc/72/35/85/1063723585.db2.gz VRTVYAKRDKUBRJ-MRXNPFEDSA-N 1 1 493.450 2.779 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291307518 1063723604 /nfs/dbraw/zinc/72/36/04/1063723604.db2.gz VRTVYAKRDKUBRJ-MRXNPFEDSA-N 1 1 493.450 2.779 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 ZINC001291307588 1063724293 /nfs/dbraw/zinc/72/42/93/1063724293.db2.gz XBCBZYRKQPQWPS-OAHLLOKOSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 ZINC001291307588 1063724308 /nfs/dbraw/zinc/72/43/08/1063724308.db2.gz XBCBZYRKQPQWPS-OAHLLOKOSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291307548 1063724504 /nfs/dbraw/zinc/72/45/04/1063724504.db2.gz WIECZOVMSCAYHZ-CQSZACIVSA-N 1 1 474.915 2.608 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291307548 1063724515 /nfs/dbraw/zinc/72/45/15/1063724515.db2.gz WIECZOVMSCAYHZ-CQSZACIVSA-N 1 1 474.915 2.608 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)C(C)C ZINC001295723232 1063738768 /nfs/dbraw/zinc/73/87/68/1063738768.db2.gz SRRMOMLRPVLAHJ-LJQANCHMSA-N 1 1 477.679 2.892 20 0 JFADMO C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291314325 1063746567 /nfs/dbraw/zinc/74/65/67/1063746567.db2.gz ZAYLSJPZSSATPE-HKUYNNGSSA-N 1 1 462.689 2.815 20 0 JFADMO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1(C)C ZINC001291315800 1063748972 /nfs/dbraw/zinc/74/89/72/1063748972.db2.gz GHYKOCRWAJVRDF-IAGOWNOFSA-N 1 1 453.547 2.825 20 0 JFADMO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1(C)C ZINC001291315801 1063749001 /nfs/dbraw/zinc/74/90/01/1063749001.db2.gz GHYKOCRWAJVRDF-IRXDYDNUSA-N 1 1 453.547 2.825 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C ZINC001295743705 1063750799 /nfs/dbraw/zinc/75/07/99/1063750799.db2.gz XCKVDWNUTOCEBX-QFBILLFUSA-N 1 1 451.539 2.530 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C ZINC001295743705 1063750809 /nfs/dbraw/zinc/75/08/09/1063750809.db2.gz XCKVDWNUTOCEBX-QFBILLFUSA-N 1 1 451.539 2.530 20 0 JFADMO C[C@@H]1N(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291316876 1063752473 /nfs/dbraw/zinc/75/24/73/1063752473.db2.gz CDPDMBIWUDNYGW-FPOVZHCZSA-N 1 1 454.619 2.892 20 0 JFADMO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1(C)C ZINC001291319906 1063758343 /nfs/dbraw/zinc/75/83/43/1063758343.db2.gz IOOCSPQBJVTCCT-OAQYLSRUSA-N 1 1 470.662 2.929 20 0 JFADMO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319906 1063758358 /nfs/dbraw/zinc/75/83/58/1063758358.db2.gz IOOCSPQBJVTCCT-OAQYLSRUSA-N 1 1 470.662 2.929 20 0 JFADMO C[C@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319906 1063758377 /nfs/dbraw/zinc/75/83/77/1063758377.db2.gz IOOCSPQBJVTCCT-OAQYLSRUSA-N 1 1 470.662 2.929 20 0 JFADMO CCN(CCC1CC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295792947 1063790122 /nfs/dbraw/zinc/79/01/22/1063790122.db2.gz ZZABTVWFJCRHKF-HSZRJFAPSA-N 1 1 461.010 2.555 20 0 JFADMO CCN(CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)S(C)(=O)=O ZINC001295810018 1063804002 /nfs/dbraw/zinc/80/40/02/1063804002.db2.gz IYDUHZGMULZHGY-MSOLQXFVSA-N 1 1 481.066 2.943 20 0 JFADMO CCN(CCCn1c(-c2cccn2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)S(C)(=O)=O ZINC001295810911 1063807884 /nfs/dbraw/zinc/80/78/84/1063807884.db2.gz QMSOOWZONUIMPD-OAQYLSRUSA-N 1 1 499.685 2.666 20 0 JFADMO CCN(CCCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)S(C)(=O)=O ZINC001295815017 1063816739 /nfs/dbraw/zinc/81/67/39/1063816739.db2.gz FHWURACFJQCVLR-IFMALSPDSA-N 1 1 490.674 2.512 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001291340668 1063818334 /nfs/dbraw/zinc/81/83/34/1063818334.db2.gz OIBLTXFCESVBFM-HXUWFJFHSA-N 1 1 466.565 2.501 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2)CCC(F)(F)F ZINC001295815937 1063820629 /nfs/dbraw/zinc/82/06/29/1063820629.db2.gz POIZUSLJRPHTAX-UHFFFAOYSA-N 1 1 490.571 2.813 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001291341568 1063822455 /nfs/dbraw/zinc/82/24/55/1063822455.db2.gz FXKQAKYBEFFITM-NHCUHLMSSA-N 1 1 469.634 2.644 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291342395 1063825471 /nfs/dbraw/zinc/82/54/71/1063825471.db2.gz SUIGDXWTWLYREE-JOCHJYFZSA-N 1 1 459.683 2.704 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCc2c1cnn2C)CCC(F)(F)F ZINC001295822311 1063828615 /nfs/dbraw/zinc/82/86/15/1063828615.db2.gz ZCZOBXCHHSQOMO-KRWDZBQOSA-N 1 1 484.571 2.938 20 0 JFADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@@H](OC)C1)C(C)C ZINC001295822550 1063829023 /nfs/dbraw/zinc/82/90/23/1063829023.db2.gz AEYGPJOFBGCORF-LJQANCHMSA-N 1 1 477.679 2.892 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001295825064 1063833504 /nfs/dbraw/zinc/83/35/04/1063833504.db2.gz LXWOGZBMPJJFFA-ZBFHGGJFSA-N 1 1 480.411 2.701 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@](C)(CC)C1)C1CC1 ZINC001295825251 1063833548 /nfs/dbraw/zinc/83/35/48/1063833548.db2.gz SCNPVIQCCKBUCC-XMMPIXPASA-N 1 1 490.674 2.685 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@](C)(CC)C1)C1CC1 ZINC001295825250 1063833639 /nfs/dbraw/zinc/83/36/39/1063833639.db2.gz SCNPVIQCCKBUCC-DEOSSOPVSA-N 1 1 490.674 2.685 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@]2(CCOC2)C1)C(C)C ZINC001295825324 1063834043 /nfs/dbraw/zinc/83/40/43/1063834043.db2.gz UWIBQRIRFHBFBS-XMMPIXPASA-N 1 1 490.674 2.543 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)C(C)(C)C1)C1CC1 ZINC001295826998 1063835423 /nfs/dbraw/zinc/83/54/23/1063835423.db2.gz ISQPMINJSMFBMR-FQEVSTJZSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295827088 1063835976 /nfs/dbraw/zinc/83/59/76/1063835976.db2.gz KYAFDUHTRVPPPT-GOSISDBHSA-N 1 1 482.448 2.815 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1)C(C)C ZINC001295827524 1063837157 /nfs/dbraw/zinc/83/71/57/1063837157.db2.gz PHFXONXYSJLQEF-FQEVSTJZSA-N 1 1 486.646 2.512 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001291345239 1063837803 /nfs/dbraw/zinc/83/78/03/1063837803.db2.gz SCPXIGDIAOIFQP-LEWJYISDSA-N 1 1 454.619 2.857 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC001295827527 1063837949 /nfs/dbraw/zinc/83/79/49/1063837949.db2.gz PHFXONXYSJLQEF-HXUWFJFHSA-N 1 1 486.646 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1)C1CC1 ZINC001295829613 1063842331 /nfs/dbraw/zinc/84/23/31/1063842331.db2.gz IVWGXPLKBWSBHG-UHFFFAOYSA-N 1 1 456.591 2.504 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291346109 1063843551 /nfs/dbraw/zinc/84/35/51/1063843551.db2.gz KBOPBKDWPWNUDB-VXKWHMMOSA-N 1 1 468.646 2.909 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001291346704 1063846132 /nfs/dbraw/zinc/84/61/32/1063846132.db2.gz YDKOMPFTVKZOQI-SFTDATJTSA-N 1 1 454.619 2.879 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCNC(=O)CC1)C(C)C ZINC001295831490 1063846415 /nfs/dbraw/zinc/84/64/15/1063846415.db2.gz YIQKXOZDRJMBLY-UHFFFAOYSA-N 1 1 458.607 2.798 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001295831205 1063846701 /nfs/dbraw/zinc/84/67/01/1063846701.db2.gz VTRSNHLVXPPENY-UHFFFAOYSA-N 1 1 491.434 2.869 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001291347001 1063847581 /nfs/dbraw/zinc/84/75/81/1063847581.db2.gz DGQFYKDVPMMDBC-GMAHTHKFSA-N 1 1 498.672 2.937 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291347670 1063850434 /nfs/dbraw/zinc/85/04/34/1063850434.db2.gz RGNLYRNAJXHGNW-HXUWFJFHSA-N 1 1 468.602 2.623 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853406 /nfs/dbraw/zinc/85/34/06/1063853406.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 1 1 482.551 2.749 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295836742 1063854042 /nfs/dbraw/zinc/85/40/42/1063854042.db2.gz DKJIFRJDWUDMJY-LJQANCHMSA-N 1 1 471.606 2.554 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NC2CC2)CC1)C(C)C ZINC001295836915 1063854086 /nfs/dbraw/zinc/85/40/86/1063854086.db2.gz ZZLRQGFXKFTEJY-UHFFFAOYSA-N 1 1 474.053 2.729 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC001295838635 1063857307 /nfs/dbraw/zinc/85/73/07/1063857307.db2.gz KVUQSOJXNJXLCA-KRWDZBQOSA-N 1 1 471.631 2.764 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295839073 1063857929 /nfs/dbraw/zinc/85/79/29/1063857929.db2.gz PFONJQYZDJWPGN-GOSISDBHSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1)C1CC1 ZINC001295844317 1063863505 /nfs/dbraw/zinc/86/35/05/1063863505.db2.gz AVKHVZWMQKACAV-OAHLLOKOSA-N 1 1 451.369 2.705 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(O)cc2C1)CCC(F)(F)F ZINC001295844326 1063864077 /nfs/dbraw/zinc/86/40/77/1063864077.db2.gz BBXMHFOCVVNPOU-SFHVURJKSA-N 1 1 466.508 2.772 20 0 JFADMO CCC(C)(C)Cn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291357678 1063864286 /nfs/dbraw/zinc/86/42/86/1063864286.db2.gz RMKITLCNIMZCDT-AREMUKBSSA-N 1 1 490.693 2.889 20 0 JFADMO CCC(C)(C)Cn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291357678 1063864302 /nfs/dbraw/zinc/86/43/02/1063864302.db2.gz RMKITLCNIMZCDT-AREMUKBSSA-N 1 1 490.693 2.889 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC001295846578 1063868918 /nfs/dbraw/zinc/86/89/18/1063868918.db2.gz XAQDTXMXSHGCNN-CYBMUJFWSA-N 1 1 457.526 2.825 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291359752 1063869253 /nfs/dbraw/zinc/86/92/53/1063869253.db2.gz LXFNWZREAQDDAD-JXQFQVJHSA-N 1 1 461.582 2.877 20 0 JFADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC001295847094 1063869808 /nfs/dbraw/zinc/86/98/08/1063869808.db2.gz AKDIUTRWVPZVON-HYBUGGRVSA-N 1 1 471.623 2.733 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291360367 1063870529 /nfs/dbraw/zinc/87/05/29/1063870529.db2.gz UKKWNCPDJSYQQJ-WMZHIEFXSA-N 1 1 461.010 2.697 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2ccnn2)CC1)CCC(F)(F)F ZINC001295847769 1063871015 /nfs/dbraw/zinc/87/10/15/1063871015.db2.gz DPYUVDANPGNWTI-IBGZPJMESA-N 1 1 484.571 2.955 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291360368 1063871218 /nfs/dbraw/zinc/87/12/18/1063871218.db2.gz UKKWNCPDJSYQQJ-XXBNENTESA-N 1 1 461.010 2.697 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001295850483 1063873628 /nfs/dbraw/zinc/87/36/28/1063873628.db2.gz WNLJYRSFVPTDJN-CLOONOSVSA-N 1 1 491.681 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001295850857 1063874046 /nfs/dbraw/zinc/87/40/46/1063874046.db2.gz YHYGDYVOQDFUSQ-PMACEKPBSA-N 1 1 491.681 2.825 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291361281 1063874061 /nfs/dbraw/zinc/87/40/61/1063874061.db2.gz JHPZDGOKGZXZPN-HFXUHXBXSA-N 1 1 465.545 2.864 20 0 JFADMO CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)CCC(F)(F)F ZINC001295850880 1063874732 /nfs/dbraw/zinc/87/47/32/1063874732.db2.gz YXCVRBMHFDBSHC-UHFFFAOYSA-N 1 1 485.555 2.731 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)CCC(F)(F)F ZINC001295851008 1063875165 /nfs/dbraw/zinc/87/51/65/1063875165.db2.gz BHXDLOKTOGZFSU-ZWKOTPCHSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001295851152 1063875822 /nfs/dbraw/zinc/87/58/22/1063875822.db2.gz BYRMZHQBBKHBHL-MRXNPFEDSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1)CCC(F)(F)F ZINC001295853748 1063880820 /nfs/dbraw/zinc/88/08/20/1063880820.db2.gz RDLIRYATSVVDBG-GOSISDBHSA-N 1 1 470.544 2.564 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001295853784 1063881576 /nfs/dbraw/zinc/88/15/76/1063881576.db2.gz RYVCALQKSCTQFH-GOSISDBHSA-N 1 1 467.611 2.695 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1)C(C)C ZINC001295857543 1063888312 /nfs/dbraw/zinc/88/83/12/1063888312.db2.gz SOKRSJDTMNEVHK-QHCPKHFHSA-N 1 1 470.618 2.873 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295858506 1063888923 /nfs/dbraw/zinc/88/89/23/1063888923.db2.gz ZBXVAZBRVHCFMS-RDPSFJRHSA-N 1 1 475.659 2.663 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295858509 1063889052 /nfs/dbraw/zinc/88/90/52/1063889052.db2.gz ZBXVAZBRVHCFMS-YKSBVNFPSA-N 1 1 475.659 2.663 20 0 JFADMO CCN(CCn1c(Cc2cccnc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859633 1063890314 /nfs/dbraw/zinc/89/03/14/1063890314.db2.gz RWUQRRDMLAIPOH-AREMUKBSSA-N 1 1 499.660 2.822 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291368522 1063893636 /nfs/dbraw/zinc/89/36/36/1063893636.db2.gz OOJIQHTWVVTSTM-XMMPIXPASA-N 1 1 454.575 2.774 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)CCC(F)(F)F ZINC001295862298 1063894610 /nfs/dbraw/zinc/89/46/10/1063894610.db2.gz LVTOHWWTURFOFN-KRWDZBQOSA-N 1 1 458.529 2.926 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C ZINC001295865349 1063897094 /nfs/dbraw/zinc/89/70/94/1063897094.db2.gz JAMPQKMGIQHLHG-XMMPIXPASA-N 1 1 472.590 2.627 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291371878 1063898416 /nfs/dbraw/zinc/89/84/16/1063898416.db2.gz SLBBKRNKTGZAPJ-RPLOAYLJSA-N 1 1 459.639 2.934 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1)C(C)C ZINC001295866422 1063900925 /nfs/dbraw/zinc/90/09/25/1063900925.db2.gz LTGFLBFEHLZBJT-UHFFFAOYSA-N 1 1 496.660 2.921 20 0 JFADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C)CCC(F)(F)F ZINC001295866814 1063901573 /nfs/dbraw/zinc/90/15/73/1063901573.db2.gz MQEGXXBWXKREGR-OAHLLOKOSA-N 1 1 474.553 2.769 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295866475 1063901620 /nfs/dbraw/zinc/90/16/20/1063901620.db2.gz XSYMGXBGRLQRLA-HXUWFJFHSA-N 1 1 467.611 2.740 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001295867186 1063902233 /nfs/dbraw/zinc/90/22/33/1063902233.db2.gz PYKIVSGDVWAVDF-UHFFFAOYSA-N 1 1 456.561 2.554 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)C(C)C ZINC001295867731 1063902662 /nfs/dbraw/zinc/90/26/62/1063902662.db2.gz XLWHASNHVCZHEU-UHFFFAOYSA-N 1 1 496.635 2.858 20 0 JFADMO CC[N@@H+](CCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868027 1063903662 /nfs/dbraw/zinc/90/36/62/1063903662.db2.gz CYKPYPBVMZFSHB-SQJMNOBHSA-N 1 1 479.666 2.823 20 0 JFADMO CC[N@@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1)C1CC1 ZINC001295868423 1063904993 /nfs/dbraw/zinc/90/49/93/1063904993.db2.gz LJGNQKOVCORZJQ-UHFFFAOYSA-N 1 1 474.631 2.952 20 0 JFADMO CC[C@@](C)(O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291375651 1063905921 /nfs/dbraw/zinc/90/59/21/1063905921.db2.gz HFEFIIMLOMHQNE-AREMUKBSSA-N 1 1 481.645 2.679 20 0 JFADMO CC[N@@H+](CCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001295868981 1063906307 /nfs/dbraw/zinc/90/63/07/1063906307.db2.gz FHRKNSXDSLKCAN-UHFFFAOYSA-N 1 1 476.691 2.958 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1)C1CC1 ZINC001295869101 1063906568 /nfs/dbraw/zinc/90/65/68/1063906568.db2.gz ITJHYOKBUWBCGZ-NRFANRHFSA-N 1 1 489.665 2.939 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2OCO[C@H]2C1)C(C)C ZINC001295870221 1063907785 /nfs/dbraw/zinc/90/77/85/1063907785.db2.gz WGCUEXKGQFMDRW-GBESFXJTSA-N 1 1 464.611 2.642 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291376936 1063908103 /nfs/dbraw/zinc/90/81/03/1063908103.db2.gz DWQSFOBYEMGOCD-MHZLTWQESA-N 1 1 498.672 2.769 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291376936 1063908111 /nfs/dbraw/zinc/90/81/11/1063908111.db2.gz DWQSFOBYEMGOCD-MHZLTWQESA-N 1 1 498.672 2.769 20 0 JFADMO CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291378039 1063910722 /nfs/dbraw/zinc/91/07/22/1063910722.db2.gz ZSTNPHVJSXOYLO-GAJHUEQPSA-N 1 1 460.648 2.741 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C(C)C ZINC001295873611 1063911099 /nfs/dbraw/zinc/91/10/99/1063911099.db2.gz LPOOQYXEEZIZMM-ACRUOGEOSA-N 1 1 478.682 2.864 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291378263 1063911440 /nfs/dbraw/zinc/91/14/40/1063911440.db2.gz DHXFINSSALKUBY-PXDATVDWSA-N 1 1 457.619 2.793 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+]1CCC[C@@H]1C ZINC001295876470 1063915389 /nfs/dbraw/zinc/91/53/89/1063915389.db2.gz DHBFBWZWLXIYNH-SFHVURJKSA-N 1 1 456.616 2.849 20 0 JFADMO CC[C@](C)(O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291380796 1063918419 /nfs/dbraw/zinc/91/84/19/1063918419.db2.gz XDEVKBJMNUANBM-IECBHUPTSA-N 1 1 475.659 2.897 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291388134 1063936474 /nfs/dbraw/zinc/93/64/74/1063936474.db2.gz UKAWIGXESGOKFL-MOKWFATOSA-N 1 1 463.026 2.948 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001295890417 1063941306 /nfs/dbraw/zinc/94/13/06/1063941306.db2.gz NNSKCPQYUZYGFH-RTWAWAEBSA-N 1 1 497.644 2.848 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CC[N@@H+](CC)C(C)C)CCN2C1=O ZINC001295891065 1063942462 /nfs/dbraw/zinc/94/24/62/1063942462.db2.gz VNODZBMXHXAVJM-IBGZPJMESA-N 1 1 474.009 2.802 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291396821 1063952630 /nfs/dbraw/zinc/95/26/30/1063952630.db2.gz CPXPZUHLOHTYHF-STWLZBDKSA-N 1 1 462.683 2.574 20 0 JFADMO CCn1cc([C@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900584 1063953686 /nfs/dbraw/zinc/95/36/86/1063953686.db2.gz DUIHIJBBSRMXMS-FCHUYYIVSA-N 1 1 459.639 2.628 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291400506 1063960959 /nfs/dbraw/zinc/96/09/59/1063960959.db2.gz YHPZEECAHKCWAC-RXFWQSSRSA-N 1 1 483.661 2.861 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291400506 1063960970 /nfs/dbraw/zinc/96/09/70/1063960970.db2.gz YHPZEECAHKCWAC-RXFWQSSRSA-N 1 1 483.661 2.861 20 0 JFADMO CCn1cc(CN(C)c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC001295911934 1063964531 /nfs/dbraw/zinc/96/45/31/1063964531.db2.gz BYMRKYCRMATQKT-QHCPKHFHSA-N 1 1 451.619 2.944 20 0 JFADMO CCn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CC[NH+](CCOC)CC2)cn1 ZINC001295924214 1063978262 /nfs/dbraw/zinc/97/82/62/1063978262.db2.gz FJXJOBVJDNHODP-UHFFFAOYSA-N 1 1 480.436 2.802 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001291411024 1063986739 /nfs/dbraw/zinc/98/67/39/1063986739.db2.gz FMHDMBZLLCPSJM-PMOQBDJRSA-N 1 1 484.645 2.758 20 0 JFADMO CCn1cccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295938263 1063988605 /nfs/dbraw/zinc/98/86/05/1063988605.db2.gz HGONARKXIQFBJO-VQTJNVASSA-N 1 1 498.603 2.944 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001291418131 1063996867 /nfs/dbraw/zinc/99/68/67/1063996867.db2.gz UFIUNJHMPKWEHE-WAOWUJCRSA-N 1 1 483.617 2.812 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C[C@H]3CSCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001295951325 1064003023 /nfs/dbraw/zinc/00/30/23/1064003023.db2.gz IXOSHEHBIYFBHR-FQEVSTJZSA-N 1 1 454.681 2.746 20 0 JFADMO CCn1cnnc1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295960665 1064010403 /nfs/dbraw/zinc/01/04/03/1064010403.db2.gz ONNBNFXKRJXUAN-CALCHBBNSA-N 1 1 458.998 2.804 20 0 JFADMO CCn1cnnc1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295960665 1064010407 /nfs/dbraw/zinc/01/04/07/1064010407.db2.gz ONNBNFXKRJXUAN-CALCHBBNSA-N 1 1 458.998 2.804 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291435257 1064015904 /nfs/dbraw/zinc/01/59/04/1064015904.db2.gz ZXVKRTZHCXXQLO-VXKWHMMOSA-N 1 1 469.682 2.714 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975522 1064020248 /nfs/dbraw/zinc/02/02/48/1064020248.db2.gz CSVKUGJLCADHSX-RTBURBONSA-N 1 1 476.585 2.873 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976070 1064021085 /nfs/dbraw/zinc/02/10/85/1064021085.db2.gz CFQPPBFATWELGK-CABCVRRESA-N 1 1 459.396 2.803 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024429 /nfs/dbraw/zinc/02/44/29/1064024429.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 1 1 480.455 2.675 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024479 /nfs/dbraw/zinc/02/44/79/1064024479.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458469 1064024924 /nfs/dbraw/zinc/02/49/24/1064024924.db2.gz HXAFJFWUZCHVDL-OQLXKQOESA-N 1 1 472.682 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001295978844 1064027063 /nfs/dbraw/zinc/02/70/63/1064027063.db2.gz TYGWXUYTTQGGAL-IUKKYPGJSA-N 1 1 463.648 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978830 1064027149 /nfs/dbraw/zinc/02/71/49/1064027149.db2.gz TVPRRBAXDFDIOY-ROUUACIJSA-N 1 1 460.648 2.914 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029548 /nfs/dbraw/zinc/02/95/48/1064029548.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 1 1 497.688 2.604 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029668 /nfs/dbraw/zinc/02/96/68/1064029668.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 1 1 497.688 2.604 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)C[C@H]1C ZINC001295980347 1064030154 /nfs/dbraw/zinc/03/01/54/1064030154.db2.gz YQBJKLSKZCOZCN-YDIMBITNSA-N 1 1 490.674 2.683 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001295980567 1064030536 /nfs/dbraw/zinc/03/05/36/1064030536.db2.gz ZOAWYPSXFFFYQN-MSOLQXFVSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001295980567 1064030544 /nfs/dbraw/zinc/03/05/44/1064030544.db2.gz ZOAWYPSXFFFYQN-MSOLQXFVSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980678 1064031090 /nfs/dbraw/zinc/03/10/90/1064031090.db2.gz RAEWKSUZZYNQTC-MOPGFXCFSA-N 1 1 477.654 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470379 1064031472 /nfs/dbraw/zinc/03/14/72/1064031472.db2.gz PGBPJOQPYUPHOM-JAXLGGSGSA-N 1 1 460.667 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470922 1064032419 /nfs/dbraw/zinc/03/24/19/1064032419.db2.gz XDONRGYMLPMNEU-NSHGMRRFSA-N 1 1 459.664 2.870 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001295981460 1064032678 /nfs/dbraw/zinc/03/26/78/1064032678.db2.gz ACTDTPWPTCHGHR-IRXDYDNUSA-N 1 1 455.994 2.968 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(OC)c1 ZINC001291471062 1064032960 /nfs/dbraw/zinc/03/29/60/1064032960.db2.gz YPBKQXDQLQTFLL-NNMXDRDESA-N 1 1 484.645 2.846 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@@H]1CCCO1 ZINC001291471089 1064033351 /nfs/dbraw/zinc/03/33/51/1064033351.db2.gz YVTYJBLXKIVZCC-WMIMKTLMSA-N 1 1 490.693 2.756 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001295982169 1064034130 /nfs/dbraw/zinc/03/41/30/1064034130.db2.gz WMHQQJPGWRUOBB-PMACEKPBSA-N 1 1 470.618 2.608 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001295982283 1064034654 /nfs/dbraw/zinc/03/46/54/1064034654.db2.gz DCELPSBGNOMLJV-MSOLQXFVSA-N 1 1 468.606 2.643 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCc1cccc(C(N)=O)c1 ZINC001291475176 1064034757 /nfs/dbraw/zinc/03/47/57/1064034757.db2.gz AVJMYEZQNHIIBX-VCOUNFBDSA-N 1 1 454.619 2.680 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@@H]1C ZINC001295982471 1064035201 /nfs/dbraw/zinc/03/52/01/1064035201.db2.gz TUXCMZFNHMZBPW-BZSNNMDCSA-N 1 1 466.627 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479156 1064035535 /nfs/dbraw/zinc/03/55/35/1064035535.db2.gz FDWOLBLROCXRHU-JZXOWHBKSA-N 1 1 466.677 2.813 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001295983155 1064036541 /nfs/dbraw/zinc/03/65/41/1064036541.db2.gz YJSLAMHKDBWRAC-DLBZAZTESA-N 1 1 482.555 2.729 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295983089 1064037615 /nfs/dbraw/zinc/03/76/15/1064037615.db2.gz HFXAIHJCNMPSDI-ZWKOTPCHSA-N 1 1 468.606 2.837 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCOC2)C[C@H]1C ZINC001295983098 1064037680 /nfs/dbraw/zinc/03/76/80/1064037680.db2.gz HFZYMLCBRIFVBN-WIEQDCTASA-N 1 1 482.398 2.917 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001295984098 1064041208 /nfs/dbraw/zinc/04/12/08/1064041208.db2.gz LCOFTOFIMHDHFX-IAGOWNOFSA-N 1 1 458.998 2.692 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041233 /nfs/dbraw/zinc/04/12/33/1064041233.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001295984521 1064041857 /nfs/dbraw/zinc/04/18/57/1064041857.db2.gz ZEIFHNMETIPCJR-DGGJZMOXSA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001295987167 1064043070 /nfs/dbraw/zinc/04/30/70/1064043070.db2.gz YXAMCTFPTYBICI-MSOLQXFVSA-N 1 1 453.591 2.971 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@@H]1C ZINC001295987171 1064043558 /nfs/dbraw/zinc/04/35/58/1064043558.db2.gz ZAMLHJRDOYPJRI-DLBZAZTESA-N 1 1 451.999 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291487047 1064044368 /nfs/dbraw/zinc/04/43/68/1064044368.db2.gz PTUAGKAENDKSQK-RBUKOAKNSA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291487047 1064044388 /nfs/dbraw/zinc/04/43/88/1064044388.db2.gz PTUAGKAENDKSQK-RBUKOAKNSA-N 1 1 454.619 2.762 20 0 JFADMO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295990984 1064045507 /nfs/dbraw/zinc/04/55/07/1064045507.db2.gz ONYNPHDASSBFLQ-RPWUZVMVSA-N 1 1 456.631 2.988 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295991197 1064045951 /nfs/dbraw/zinc/04/59/51/1064045951.db2.gz AKKGORHZPLXMSJ-DLBZAZTESA-N 1 1 489.621 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001295992906 1064047803 /nfs/dbraw/zinc/04/78/03/1064047803.db2.gz BKEIWXIGQWKEQT-ANULTFPQSA-N 1 1 492.665 2.727 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@@H]1C ZINC001295993029 1064047946 /nfs/dbraw/zinc/04/79/46/1064047946.db2.gz BUEINEOCDPOXNW-HAGHYFMRSA-N 1 1 478.638 2.542 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1nnc(C)s1 ZINC001291498138 1064050302 /nfs/dbraw/zinc/05/03/02/1064050302.db2.gz JCRMABCCZJMYEX-SFHVURJKSA-N 1 1 488.706 2.965 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001291498620 1064050746 /nfs/dbraw/zinc/05/07/46/1064050746.db2.gz TXJMBBYOQTYAOC-TYHYVREOSA-N 1 1 492.734 2.863 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996128 1064051866 /nfs/dbraw/zinc/05/18/66/1064051866.db2.gz MKTXNJGKWCMDDK-MOPGFXCFSA-N 1 1 499.685 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001295997410 1064053118 /nfs/dbraw/zinc/05/31/18/1064053118.db2.gz QQLOJENOMGGUBS-RLFYNMQTSA-N 1 1 465.524 2.805 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@@H]1C ZINC001295996944 1064053286 /nfs/dbraw/zinc/05/32/86/1064053286.db2.gz NSYVTKFXVRWOEK-ZWKOTPCHSA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001295997737 1064054291 /nfs/dbraw/zinc/05/42/91/1064054291.db2.gz RWGCZHBWZTZPIL-CPLUKWAASA-N 1 1 475.588 2.729 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998696 1064056213 /nfs/dbraw/zinc/05/62/13/1064056213.db2.gz VAVOSVWGKNTLBQ-ZWKOTPCHSA-N 1 1 453.591 2.538 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291504741 1064056230 /nfs/dbraw/zinc/05/62/30/1064056230.db2.gz WFQPIKUSLVQNQE-CTNGQTDRSA-N 1 1 468.712 2.925 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998990 1064056248 /nfs/dbraw/zinc/05/62/48/1064056248.db2.gz YHSDKEMYQPLPBA-QZTJIDSGSA-N 1 1 478.592 2.653 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001295999717 1064056624 /nfs/dbraw/zinc/05/66/24/1064056624.db2.gz XEVVWAFJUDHSFP-WQGACYEGSA-N 1 1 454.472 2.753 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291508022 1064059249 /nfs/dbraw/zinc/05/92/49/1064059249.db2.gz DZLMNPRSKYZMOY-OAQYLSRUSA-N 1 1 459.683 2.801 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003664 1064059433 /nfs/dbraw/zinc/05/94/33/1064059433.db2.gz VHXROIAJGRGEDF-ROUUACIJSA-N 1 1 451.575 2.643 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291510343 1064061936 /nfs/dbraw/zinc/06/19/36/1064061936.db2.gz UAGMQCOSPYCJOP-PMACEKPBSA-N 1 1 461.655 2.677 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001296008851 1064063010 /nfs/dbraw/zinc/06/30/10/1064063010.db2.gz BUHCXTQUJKOPIL-FBROZUCGSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296008849 1064063039 /nfs/dbraw/zinc/06/30/39/1064063039.db2.gz BUHCXTQUJKOPIL-AIFLQVKLSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009325 1064063892 /nfs/dbraw/zinc/06/38/92/1064063892.db2.gz JUGIKQZGTRTXSE-HSALFYBXSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009324 1064064040 /nfs/dbraw/zinc/06/40/40/1064064040.db2.gz JUGIKQZGTRTXSE-AABGKKOBSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296009410 1064064429 /nfs/dbraw/zinc/06/44/29/1064064429.db2.gz GADOHKFVPISREY-IZZGNVEXSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009390 1064064479 /nfs/dbraw/zinc/06/44/79/1064064479.db2.gz FURBZMCVJSUZTI-RTWAWAEBSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001296009566 1064065328 /nfs/dbraw/zinc/06/53/28/1064065328.db2.gz LNYLBQVIKDUMRK-SXWKCWPCSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009624 1064065434 /nfs/dbraw/zinc/06/54/34/1064065434.db2.gz HTZORYGPYDWSKW-LEWJYISDSA-N 1 1 484.645 2.675 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001291514487 1064067668 /nfs/dbraw/zinc/06/76/68/1064067668.db2.gz UKGKDHFUHYRHHX-IBGZPJMESA-N 1 1 474.675 2.758 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010828 1064069703 /nfs/dbraw/zinc/06/97/03/1064069703.db2.gz MJNHCLWDAFNKMR-MOPGFXCFSA-N 1 1 468.577 2.971 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296010866 1064070118 /nfs/dbraw/zinc/07/01/18/1064070118.db2.gz MYOKQDXRPVEYKO-RBUKOAKNSA-N 1 1 499.626 2.984 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296011204 1064070195 /nfs/dbraw/zinc/07/01/95/1064070195.db2.gz UIVMAMFYJYYXCW-CVEARBPZSA-N 1 1 459.545 2.650 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C ZINC001296012328 1064072678 /nfs/dbraw/zinc/07/26/78/1064072678.db2.gz JTXVYQPSYNTKPF-WOIUINJBSA-N 1 1 470.618 2.564 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012572 1064073064 /nfs/dbraw/zinc/07/30/64/1064073064.db2.gz UAWAYJQVWWWMFD-MOPGFXCFSA-N 1 1 470.647 2.550 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013136 1064073973 /nfs/dbraw/zinc/07/39/73/1064073973.db2.gz MHILNJZRMGEOBP-ZFJITXNASA-N 1 1 475.609 2.968 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013618 1064074527 /nfs/dbraw/zinc/07/45/27/1064074527.db2.gz OIAVSHUQTYOLNI-SRYPRDQNSA-N 1 1 476.666 2.760 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@H]1C ZINC001296014573 1064076468 /nfs/dbraw/zinc/07/64/68/1064076468.db2.gz YJZIIUGMRBWYJD-WOJBJXKFSA-N 1 1 470.618 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001296016843 1064078004 /nfs/dbraw/zinc/07/80/04/1064078004.db2.gz VPTYATMEIUUTOH-LTFXXXRZSA-N 1 1 468.618 2.952 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@@H]1C ZINC001296016994 1064078262 /nfs/dbraw/zinc/07/82/62/1064078262.db2.gz WNLYRBDTIFYIID-ZWKOTPCHSA-N 1 1 470.574 2.967 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291538048 1064079303 /nfs/dbraw/zinc/07/93/03/1064079303.db2.gz LDWGTCASBWRJFI-WIOPSUGQSA-N 1 1 481.689 2.962 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001296017485 1064079631 /nfs/dbraw/zinc/07/96/31/1064079631.db2.gz GJRKPHRXTLDTBT-VQTJNVASSA-N 1 1 469.634 2.683 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001291539690 1064081572 /nfs/dbraw/zinc/08/15/72/1064081572.db2.gz HYEYQYFUUHIHBE-ICSRJNTNSA-N 1 1 452.669 2.670 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001296033164 1064091463 /nfs/dbraw/zinc/09/14/63/1064091463.db2.gz KNSOTCPDKVKIJW-IRLDBZIGSA-N 1 1 467.618 2.594 20 0 JFADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291560271 1064092345 /nfs/dbraw/zinc/09/23/45/1064092345.db2.gz QVNORTLBRZZSIJ-VXKWHMMOSA-N 1 1 461.699 2.760 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034586 1064093072 /nfs/dbraw/zinc/09/30/72/1064093072.db2.gz VWUPJKSPNFLFAH-NVXWUHKLSA-N 1 1 488.580 2.885 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296034683 1064093531 /nfs/dbraw/zinc/09/35/31/1064093531.db2.gz WXKZFGFHKZXSAH-UWVAXJGDSA-N 1 1 465.595 2.522 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001296034951 1064093952 /nfs/dbraw/zinc/09/39/52/1064093952.db2.gz ZXBMRDOPCMPULT-FQEVSTJZSA-N 1 1 467.618 2.581 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001296035374 1064094233 /nfs/dbraw/zinc/09/42/33/1064094233.db2.gz BTSZKJKIJDOYRE-QVKFZJNVSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296036083 1064095322 /nfs/dbraw/zinc/09/53/22/1064095322.db2.gz HASUNPBRNKHMGF-HZPDHXFCSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296036081 1064095370 /nfs/dbraw/zinc/09/53/70/1064095370.db2.gz HASUNPBRNKHMGF-HOTGVXAUSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001296036426 1064096168 /nfs/dbraw/zinc/09/61/68/1064096168.db2.gz JSTTZFJTVLJNGK-KRWDZBQOSA-N 1 1 457.575 2.694 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCS(=O)CC2)C1 ZINC001296036583 1064096526 /nfs/dbraw/zinc/09/65/26/1064096526.db2.gz JHKOUCYXIYEFMA-CYBMUJFWSA-N 1 1 458.451 2.680 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001291569306 1064096612 /nfs/dbraw/zinc/09/66/12/1064096612.db2.gz HDMMYMDSOAWGLI-LJQANCHMSA-N 1 1 472.609 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1nccnc1C ZINC001291570342 1064096998 /nfs/dbraw/zinc/09/69/98/1064096998.db2.gz VFNKPMFHGVNKBX-IBGZPJMESA-N 1 1 456.639 2.513 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1nccnc1C ZINC001291570342 1064097006 /nfs/dbraw/zinc/09/70/06/1064097006.db2.gz VFNKPMFHGVNKBX-IBGZPJMESA-N 1 1 456.639 2.513 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291571123 1064097718 /nfs/dbraw/zinc/09/77/18/1064097718.db2.gz QCSGZNKSRANBSV-IBGZPJMESA-N 1 1 464.618 2.579 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001296039106 1064099065 /nfs/dbraw/zinc/09/90/65/1064099065.db2.gz QSVOYQZYGNCHMJ-QGZVFWFLSA-N 1 1 461.408 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCNC(=O)C2)C1 ZINC001296041154 1064101369 /nfs/dbraw/zinc/10/13/69/1064101369.db2.gz YRPLJSVTQVHMGS-ZDUSSCGKSA-N 1 1 467.799 2.639 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 ZINC001296041151 1064101385 /nfs/dbraw/zinc/10/13/85/1064101385.db2.gz YRGOSBCHSSSRHU-SJLPKXTDSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001296041375 1064101782 /nfs/dbraw/zinc/10/17/82/1064101782.db2.gz CBJMJHQWCNUVOJ-IRXDYDNUSA-N 1 1 478.544 2.817 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578234 1064103123 /nfs/dbraw/zinc/10/31/23/1064103123.db2.gz CNOFNSPRICAOEQ-NQIIRXRSSA-N 1 1 472.609 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578235 1064103166 /nfs/dbraw/zinc/10/31/66/1064103166.db2.gz CNOFNSPRICAOEQ-RXVVDRJESA-N 1 1 472.609 2.925 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001296044321 1064104146 /nfs/dbraw/zinc/10/41/46/1064104146.db2.gz CIIXWBASKWYYMM-INIZCTEOSA-N 1 1 454.516 2.876 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578572 1064104170 /nfs/dbraw/zinc/10/41/70/1064104170.db2.gz FFWHRDAYPLFQEY-PKOBYXMFSA-N 1 1 457.648 2.700 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001296044723 1064104608 /nfs/dbraw/zinc/10/46/08/1064104608.db2.gz FTRROGADYKZKKL-SLFFLAALSA-N 1 1 492.665 2.932 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCSC[C@@H]2C)C1 ZINC001296044785 1064105196 /nfs/dbraw/zinc/10/51/96/1064105196.db2.gz GIZHJQIKPVSOCE-FHWLQOOXSA-N 1 1 480.679 2.870 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291578949 1064105627 /nfs/dbraw/zinc/10/56/27/1064105627.db2.gz HZUVIPJEEZZAFF-LJQANCHMSA-N 1 1 470.618 2.570 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001291578949 1064105632 /nfs/dbraw/zinc/10/56/32/1064105632.db2.gz HZUVIPJEEZZAFF-LJQANCHMSA-N 1 1 470.618 2.570 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001296046817 1064106556 /nfs/dbraw/zinc/10/65/56/1064106556.db2.gz PKHQUMINULLKDR-JKSUJKDBSA-N 1 1 484.464 2.947 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296048237 1064107471 /nfs/dbraw/zinc/10/74/71/1064107471.db2.gz AJAXRGVFQCGUDN-HXUWFJFHSA-N 1 1 451.619 2.831 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001296048720 1064108858 /nfs/dbraw/zinc/10/88/58/1064108858.db2.gz DEXSDYMXDVFJAS-SFTDATJTSA-N 1 1 455.603 2.803 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCC[NH+]1CCOCC1 ZINC001291581228 1064111112 /nfs/dbraw/zinc/11/11/12/1064111112.db2.gz VOUALNVAASELLA-SFHVURJKSA-N 1 1 476.572 2.755 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296051420 1064111800 /nfs/dbraw/zinc/11/18/00/1064111800.db2.gz FHTXNJZWUJSSRP-WOJBJXKFSA-N 1 1 472.638 2.585 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CNC(C)=O)CC2)C1 ZINC001296052101 1064113055 /nfs/dbraw/zinc/11/30/55/1064113055.db2.gz NVEFYDVZRAHGHV-HXUWFJFHSA-N 1 1 458.582 2.691 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582169 1064113170 /nfs/dbraw/zinc/11/31/70/1064113170.db2.gz UJSORJMHNGSZCD-APWZRJJASA-N 1 1 459.664 2.850 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296052221 1064113528 /nfs/dbraw/zinc/11/35/28/1064113528.db2.gz PABGEOVGRMKVID-FQEVSTJZSA-N 1 1 456.591 2.704 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296052649 1064113906 /nfs/dbraw/zinc/11/39/06/1064113906.db2.gz TZBPNNNCTCIHGA-ZWKOTPCHSA-N 1 1 479.672 2.544 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291582573 1064114081 /nfs/dbraw/zinc/11/40/81/1064114081.db2.gz XXCZFPKGLLENNE-NHCUHLMSSA-N 1 1 484.645 2.961 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291582572 1064114108 /nfs/dbraw/zinc/11/41/08/1064114108.db2.gz XXCZFPKGLLENNE-LEWJYISDSA-N 1 1 484.645 2.961 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001296052693 1064114482 /nfs/dbraw/zinc/11/44/82/1064114482.db2.gz UEVLNBHUHQFHFC-QGZVFWFLSA-N 1 1 499.106 2.647 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 ZINC001296053496 1064114917 /nfs/dbraw/zinc/11/49/17/1064114917.db2.gz ZVMOSGKYOMQWNO-VQTJNVASSA-N 1 1 456.591 2.784 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001296054417 1064115734 /nfs/dbraw/zinc/11/57/34/1064115734.db2.gz AVIVJUXCKKSDIU-NNWRFLSQSA-N 1 1 470.618 2.872 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291583097 1064115752 /nfs/dbraw/zinc/11/57/52/1064115752.db2.gz PTDWIPJBTQOHMD-NRFANRHFSA-N 1 1 468.646 2.794 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291583097 1064115757 /nfs/dbraw/zinc/11/57/57/1064115757.db2.gz PTDWIPJBTQOHMD-NRFANRHFSA-N 1 1 468.646 2.794 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001296054846 1064116396 /nfs/dbraw/zinc/11/63/96/1064116396.db2.gz DKHOEXZOWUIHJC-AZUAARDMSA-N 1 1 459.664 2.845 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296056343 1064117578 /nfs/dbraw/zinc/11/75/78/1064117578.db2.gz KXSDQPBIWCDWEL-TYFQNXAESA-N 1 1 481.626 2.784 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296057013 1064118192 /nfs/dbraw/zinc/11/81/92/1064118192.db2.gz QRQWAXNIDPIBCB-CIAFKFPVSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001296057410 1064119664 /nfs/dbraw/zinc/11/96/64/1064119664.db2.gz XXBYAHMKDXSEDF-FQEVSTJZSA-N 1 1 472.609 2.614 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001296058702 1064120715 /nfs/dbraw/zinc/12/07/15/1064120715.db2.gz CGYWKYXXLIWTQI-KZNAEPCWSA-N 1 1 481.692 2.522 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001296058701 1064120754 /nfs/dbraw/zinc/12/07/54/1064120754.db2.gz CGYWKYXXLIWTQI-FGTMMUONSA-N 1 1 481.692 2.522 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296058757 1064121031 /nfs/dbraw/zinc/12/10/31/1064121031.db2.gz DJOUZTQMJVYDAQ-CEXWTWQISA-N 1 1 466.627 2.590 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001296059153 1064121823 /nfs/dbraw/zinc/12/18/23/1064121823.db2.gz BAKMMQUGBXWLPH-IRXDYDNUSA-N 1 1 461.408 2.812 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001296059510 1064122625 /nfs/dbraw/zinc/12/26/25/1064122625.db2.gz HNNSENWHEHEGQM-NLWGTHIKSA-N 1 1 476.647 2.723 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001296059685 1064123104 /nfs/dbraw/zinc/12/31/04/1064123104.db2.gz INIGGLABZXVYIK-MJGOQNOKSA-N 1 1 457.575 2.836 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291590368 1064123284 /nfs/dbraw/zinc/12/32/84/1064123284.db2.gz VKPRMZLTOSLWNZ-RBBKRZOGSA-N 1 1 470.618 2.971 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291590462 1064123963 /nfs/dbraw/zinc/12/39/63/1064123963.db2.gz XEDHZCDLYAZQGM-VQTJNVASSA-N 1 1 491.681 2.791 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001296060260 1064124332 /nfs/dbraw/zinc/12/43/32/1064124332.db2.gz LLWRHUQMWFCCAG-NRVMGWDTSA-N 1 1 460.648 2.912 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001296060548 1064125669 /nfs/dbraw/zinc/12/56/69/1064125669.db2.gz QXOICQCFVFDMRM-YQVWRLOYSA-N 1 1 479.647 2.704 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291591116 1064126033 /nfs/dbraw/zinc/12/60/33/1064126033.db2.gz XBBHWNOPFDHJJQ-NRFANRHFSA-N 1 1 476.714 2.839 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296061087 1064126604 /nfs/dbraw/zinc/12/66/04/1064126604.db2.gz JBAHWGVZXLNDDD-RBUKOAKNSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 ZINC001296062636 1064128184 /nfs/dbraw/zinc/12/81/84/1064128184.db2.gz TYAFTVKRJFILLH-FPOVZHCZSA-N 1 1 460.598 2.810 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCOC)CC1 ZINC001296062602 1064128206 /nfs/dbraw/zinc/12/82/06/1064128206.db2.gz SEETYHGKKUVGNW-LJQANCHMSA-N 1 1 464.561 2.799 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001296062841 1064129268 /nfs/dbraw/zinc/12/92/68/1064129268.db2.gz QEBNONBWGDXGPZ-QGZVFWFLSA-N 1 1 455.563 2.957 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001296063451 1064129437 /nfs/dbraw/zinc/12/94/37/1064129437.db2.gz WGBRLSMEOYVBHO-NSHGMRRFSA-N 1 1 494.637 2.512 20 0 JFADMO CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296066439 1064132002 /nfs/dbraw/zinc/13/20/02/1064132002.db2.gz XZHNLGOCCKARNO-JOCHJYFZSA-N 1 1 457.596 2.681 20 0 JFADMO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067340 1064132552 /nfs/dbraw/zinc/13/25/52/1064132552.db2.gz IIVOIJNOKTXMIU-VQTJNVASSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067340 1064132555 /nfs/dbraw/zinc/13/25/55/1064132555.db2.gz IIVOIJNOKTXMIU-VQTJNVASSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001296067895 1064133437 /nfs/dbraw/zinc/13/34/37/1064133437.db2.gz LHGLZFAROCGMAY-AEFFLSMTSA-N 1 1 453.559 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001296068632 1064134868 /nfs/dbraw/zinc/13/48/68/1064134868.db2.gz QKQOGKYANORMMX-TYPHKJRUSA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001296068844 1064135168 /nfs/dbraw/zinc/13/51/68/1064135168.db2.gz SKPRIXGFXPMNRY-QRVBRYPASA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001296070632 1064135645 /nfs/dbraw/zinc/13/56/45/1064135645.db2.gz BZRNHNUYXKYYPU-XLIONFOSSA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001296070519 1064135679 /nfs/dbraw/zinc/13/56/79/1064135679.db2.gz AJSTYQCOSPMELB-OAQYLSRUSA-N 1 1 455.607 2.663 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296072624 1064137094 /nfs/dbraw/zinc/13/70/94/1064137094.db2.gz DNBCTLMFJZSSAY-GGAORHGYSA-N 1 1 489.686 2.960 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296073635 1064138956 /nfs/dbraw/zinc/13/89/56/1064138956.db2.gz GDARXRMUXGDIPS-BWKNWUBXSA-N 1 1 470.618 2.538 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296074534 1064140474 /nfs/dbraw/zinc/14/04/74/1064140474.db2.gz LIQYYLJOEUSKCV-KGMZSHBCSA-N 1 1 472.659 2.762 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074573 1064140927 /nfs/dbraw/zinc/14/09/27/1064140927.db2.gz LNRRXRUBHZYQRT-ZWKOTPCHSA-N 1 1 450.628 2.790 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001296075655 1064142714 /nfs/dbraw/zinc/14/27/14/1064142714.db2.gz PJKRQCAXSZUPSD-MOPGFXCFSA-N 1 1 477.654 2.795 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001296076515 1064144996 /nfs/dbraw/zinc/14/49/96/1064144996.db2.gz XKJKXBLXDRSLPY-KRWDZBQOSA-N 1 1 452.525 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078920 1064145583 /nfs/dbraw/zinc/14/55/83/1064145583.db2.gz AIXYRWTTYUNQGM-TZIWHRDSSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296079415 1064147338 /nfs/dbraw/zinc/14/73/38/1064147338.db2.gz GAAQCBFOOFECCF-IBGZPJMESA-N 1 1 461.010 2.944 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O ZINC001296081325 1064148632 /nfs/dbraw/zinc/14/86/32/1064148632.db2.gz SGSMKCPKZHIACA-IBGZPJMESA-N 1 1 471.631 2.690 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296081432 1064149321 /nfs/dbraw/zinc/14/93/21/1064149321.db2.gz UBZVWYUHDRXRJF-PKOBYXMFSA-N 1 1 450.591 2.910 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296081452 1064149349 /nfs/dbraw/zinc/14/93/49/1064149349.db2.gz UJCQDKJPJBNQPA-JTSKRJEESA-N 1 1 492.466 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296081478 1064149768 /nfs/dbraw/zinc/14/97/68/1064149768.db2.gz UYGALWIGKHDJPL-GOEBONIOSA-N 1 1 464.412 2.612 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082050 1064149864 /nfs/dbraw/zinc/14/98/64/1064149864.db2.gz ZTUNJVACRADCHJ-WOJBJXKFSA-N 1 1 488.608 2.727 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291613182 1064150930 /nfs/dbraw/zinc/15/09/30/1064150930.db2.gz CWENELDNXUKMRN-TZIWHRDSSA-N 1 1 486.665 2.582 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291613498 1064150957 /nfs/dbraw/zinc/15/09/57/1064150957.db2.gz FXAOHKRWPHQXLK-KNQAVFIVSA-N 1 1 470.666 2.762 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296084380 1064151805 /nfs/dbraw/zinc/15/18/05/1064151805.db2.gz MMWJGSAILJGSDK-LJQANCHMSA-N 1 1 478.638 2.724 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084800 1064152200 /nfs/dbraw/zinc/15/22/00/1064152200.db2.gz OVPGFNOZNHDZCM-PMACEKPBSA-N 1 1 489.665 2.939 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084973 1064153318 /nfs/dbraw/zinc/15/33/18/1064153318.db2.gz BLIPIALLZVIYSH-WOJBJXKFSA-N 1 1 489.665 2.545 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291617023 1064155084 /nfs/dbraw/zinc/15/50/84/1064155084.db2.gz NVAQDHFEUYHSQR-RTBURBONSA-N 1 1 463.696 2.642 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087095 1064155543 /nfs/dbraw/zinc/15/55/43/1064155543.db2.gz JQPATBYGEIGQQZ-HLAWJBBLSA-N 1 1 490.674 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087096 1064155630 /nfs/dbraw/zinc/15/56/30/1064155630.db2.gz JQPATBYGEIGQQZ-HMXCVIKNSA-N 1 1 490.674 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087941 1064157282 /nfs/dbraw/zinc/15/72/82/1064157282.db2.gz PFHADAVJFORATC-PMACEKPBSA-N 1 1 478.638 2.688 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296088427 1064158901 /nfs/dbraw/zinc/15/89/01/1064158901.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296088427 1064158904 /nfs/dbraw/zinc/15/89/04/1064158904.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1CC[N@@H+](CC)C(C)C ZINC001291621551 1064161972 /nfs/dbraw/zinc/16/19/72/1064161972.db2.gz VFCKPROPIPXXJU-RTBURBONSA-N 1 1 454.627 2.675 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296091756 1064163052 /nfs/dbraw/zinc/16/30/52/1064163052.db2.gz BPZOVAXPZKOZKT-TZIWHRDSSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296091777 1064163073 /nfs/dbraw/zinc/16/30/73/1064163073.db2.gz BVGNLCYEDIGNMG-LEWJYISDSA-N 1 1 454.619 2.648 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001296093211 1064165084 /nfs/dbraw/zinc/16/50/84/1064165084.db2.gz MEZGQPMFWGMRKZ-FQEVSTJZSA-N 1 1 470.618 2.929 20 0 JFADMO CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296092618 1064165109 /nfs/dbraw/zinc/16/51/09/1064165109.db2.gz JCKAQWHTZFPKSN-SFTDATJTSA-N 1 1 475.659 2.787 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296093493 1064165632 /nfs/dbraw/zinc/16/56/32/1064165632.db2.gz NYXFZLDZFDDJBJ-MDNUFGMLSA-N 1 1 483.661 2.506 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 ZINC001296093566 1064165895 /nfs/dbraw/zinc/16/58/95/1064165895.db2.gz PLNNZDNGXAWCSJ-OAQYLSRUSA-N 1 1 454.619 2.736 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001296094001 1064165924 /nfs/dbraw/zinc/16/59/24/1064165924.db2.gz SXUWWSBDFXIFKU-IBGZPJMESA-N 1 1 451.541 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001296094849 1064167001 /nfs/dbraw/zinc/16/70/01/1064167001.db2.gz AKVSCYZCLSBYEB-PWRODBHTSA-N 1 1 496.722 2.589 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291626864 1064167610 /nfs/dbraw/zinc/16/76/10/1064167610.db2.gz BCQCAWWSLQDWIF-INIZCTEOSA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291626864 1064167616 /nfs/dbraw/zinc/16/76/16/1064167616.db2.gz BCQCAWWSLQDWIF-INIZCTEOSA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626807 1064167683 /nfs/dbraw/zinc/16/76/83/1064167683.db2.gz AJCPDMNAAAIFNJ-VWNXMTODSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626807 1064167690 /nfs/dbraw/zinc/16/76/90/1064167690.db2.gz AJCPDMNAAAIFNJ-VWNXMTODSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCCCn1cc[nH+]c1C ZINC001291627195 1064168704 /nfs/dbraw/zinc/16/87/04/1064168704.db2.gz KXONQSILKFMHJC-FQEVSTJZSA-N 1 1 456.639 2.521 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC(=O)NCC(F)(F)F ZINC001291628854 1064171186 /nfs/dbraw/zinc/17/11/86/1064171186.db2.gz KNDHZAQWQWLQIO-MRXNPFEDSA-N 1 1 496.534 2.564 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291628819 1064172101 /nfs/dbraw/zinc/17/21/01/1064172101.db2.gz PKJUMMOLPPGCEU-GSPCLOLRSA-N 1 1 473.710 2.902 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(=O)C(C)C ZINC001291629306 1064173104 /nfs/dbraw/zinc/17/31/04/1064173104.db2.gz MEMFKDSNHSGNFL-SFHVURJKSA-N 1 1 458.655 2.626 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629210 1064173429 /nfs/dbraw/zinc/17/34/29/1064173429.db2.gz ILDQYOUTUVZNGR-LADGPHEKSA-N 1 1 484.689 2.883 20 0 JFADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296101306 1064175649 /nfs/dbraw/zinc/17/56/49/1064175649.db2.gz PYLKJODACKRLFL-PMACEKPBSA-N 1 1 488.608 2.584 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637115 1064184619 /nfs/dbraw/zinc/18/46/19/1064184619.db2.gz DFJWTOPNGIVJSP-PMACEKPBSA-N 1 1 452.607 2.676 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291637670 1064184716 /nfs/dbraw/zinc/18/47/16/1064184716.db2.gz JEKROFUGGRMGKW-GOSISDBHSA-N 1 1 498.744 2.554 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001291640388 1064189461 /nfs/dbraw/zinc/18/94/61/1064189461.db2.gz RQAIQXONCQUIHG-GSPCLOLRSA-N 1 1 462.683 2.574 20 0 JFADMO CCN1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001296111428 1064191290 /nfs/dbraw/zinc/19/12/90/1064191290.db2.gz MNZCYWVMGUNLHA-HXUWFJFHSA-N 1 1 491.681 2.791 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCn1cc[nH+]c1C ZINC001291643539 1064195157 /nfs/dbraw/zinc/19/51/57/1064195157.db2.gz JGEFZLZUJJEXFL-GOSISDBHSA-N 1 1 471.631 2.816 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCC1(O)CCOCC1 ZINC001291643880 1064196531 /nfs/dbraw/zinc/19/65/31/1064196531.db2.gz LRFZBAXXIRNDFL-OAQYLSRUSA-N 1 1 457.619 2.924 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC001296117654 1064198329 /nfs/dbraw/zinc/19/83/29/1064198329.db2.gz TZTVMGVKAXUXPN-UHFFFAOYSA-N 1 1 497.688 2.559 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@H]3OCCC3(C)C)CC2)CC1 ZINC001296118476 1064200638 /nfs/dbraw/zinc/20/06/38/1064200638.db2.gz BVDPUIQNOIYWQM-OAQYLSRUSA-N 1 1 460.667 2.987 20 0 JFADMO CCN1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](CC)C2CC2)CC1=O ZINC001296118952 1064202649 /nfs/dbraw/zinc/20/26/49/1064202649.db2.gz MFEXJCPHJCNEJA-KDURUIRLSA-N 1 1 489.665 2.592 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCCC4)n3C[C@H](C)COC)CC2)CC1 ZINC001296119101 1064203499 /nfs/dbraw/zinc/20/34/99/1064203499.db2.gz OVXBHNJDAHQSLT-FQEVSTJZSA-N 1 1 460.667 2.989 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@H]3CC=CCO3)CC2)CC1 ZINC001296119220 1064203958 /nfs/dbraw/zinc/20/39/58/1064203958.db2.gz PONPBYMCZKHNBH-JOCHJYFZSA-N 1 1 458.651 2.592 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001291652170 1064205188 /nfs/dbraw/zinc/20/51/88/1064205188.db2.gz RIQQOAZCKOQIMZ-CTNGQTDRSA-N 1 1 467.618 2.786 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3CCC(C)(C)O)CC2)CC1 ZINC001296119558 1064205507 /nfs/dbraw/zinc/20/55/07/1064205507.db2.gz WKDVLVJNCBAXOM-UHFFFAOYSA-N 1 1 472.634 2.778 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3Cc3conc3COC)CC2)CC1 ZINC001296119816 1064206347 /nfs/dbraw/zinc/20/63/47/1064206347.db2.gz XSRPQGYHVNPERL-UHFFFAOYSA-N 1 1 487.649 2.529 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120055 1064207343 /nfs/dbraw/zinc/20/73/43/1064207343.db2.gz DFZJIOVKQTVGHR-MRXNPFEDSA-N 1 1 483.430 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120378 1064209412 /nfs/dbraw/zinc/20/94/12/1064209412.db2.gz IHQDWRANOVPOTE-QFIPXVFZSA-N 1 1 467.662 2.780 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121814 1064213679 /nfs/dbraw/zinc/21/36/79/1064213679.db2.gz QZFONFYFXMJFDU-OAHLLOKOSA-N 1 1 450.429 2.671 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122347 1064214561 /nfs/dbraw/zinc/21/45/61/1064214561.db2.gz VXNAINAMJUSWDV-OALUTQOASA-N 1 1 474.053 2.682 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125185 1064218434 /nfs/dbraw/zinc/21/84/34/1064218434.db2.gz LDWIREGLSNHEEC-ZWKOTPCHSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125297 1064218680 /nfs/dbraw/zinc/21/86/80/1064218680.db2.gz LUCNMUNAFYDOBO-OALUTQOASA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125294 1064218708 /nfs/dbraw/zinc/21/87/08/1064218708.db2.gz LUCNMUNAFYDOBO-MOPGFXCFSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125236 1064218777 /nfs/dbraw/zinc/21/87/77/1064218777.db2.gz LKZUGSXZNLMZQA-WOJBJXKFSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125555 1064219227 /nfs/dbraw/zinc/21/92/27/1064219227.db2.gz MOBMYPYUIVTBSM-NRFANRHFSA-N 1 1 492.672 2.728 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125570 1064219594 /nfs/dbraw/zinc/21/95/94/1064219594.db2.gz MUSHGNSEPDCKJD-IEBWSBKVSA-N 1 1 462.042 2.881 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126026 1064220004 /nfs/dbraw/zinc/22/00/04/1064220004.db2.gz OQZOFFSVCSEMNL-GOSISDBHSA-N 1 1 483.617 2.921 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126428 1064220429 /nfs/dbraw/zinc/22/04/29/1064220429.db2.gz PZVFKKQGCYRESS-IBGZPJMESA-N 1 1 472.634 2.951 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126841 1064220811 /nfs/dbraw/zinc/22/08/11/1064220811.db2.gz RWIZWZLBNPTKTF-SFHVURJKSA-N 1 1 462.042 2.587 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128055 1064222426 /nfs/dbraw/zinc/22/24/26/1064222426.db2.gz XLQUUMHXIKKNIL-QFIPXVFZSA-N 1 1 481.689 2.974 20 0 JFADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CC=CCC1 ZINC001291705706 1064223124 /nfs/dbraw/zinc/22/31/24/1064223124.db2.gz UZQAZDIICNLPQI-IBGZPJMESA-N 1 1 460.648 2.940 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296130770 1064224088 /nfs/dbraw/zinc/22/40/88/1064224088.db2.gz FTIMXEQFBUFLMR-HXUWFJFHSA-N 1 1 466.634 2.740 20 0 JFADMO CC[C@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291714153 1064224625 /nfs/dbraw/zinc/22/46/25/1064224625.db2.gz OGNGQJQSIQMISQ-FQEVSTJZSA-N 1 1 464.618 2.777 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130960 1064224759 /nfs/dbraw/zinc/22/47/59/1064224759.db2.gz GVRLFKXUILOUEK-HXUWFJFHSA-N 1 1 474.723 2.590 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001296131209 1064224923 /nfs/dbraw/zinc/22/49/23/1064224923.db2.gz IMKGYFRTGREJPJ-FCHUYYIVSA-N 1 1 492.672 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC001296131211 1064225110 /nfs/dbraw/zinc/22/51/10/1064225110.db2.gz IMKGYFRTGREJPJ-VXKWHMMOSA-N 1 1 492.672 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131319 1064225370 /nfs/dbraw/zinc/22/53/70/1064225370.db2.gz JNPOBYKEGUWKNI-NRFANRHFSA-N 1 1 465.650 2.720 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131560 1064226402 /nfs/dbraw/zinc/22/64/02/1064226402.db2.gz LRZAFTBSIQVVAD-LJQANCHMSA-N 1 1 458.655 2.752 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132040 1064228302 /nfs/dbraw/zinc/22/83/02/1064228302.db2.gz QGAYBGIDIMMISS-OAQYLSRUSA-N 1 1 475.632 2.590 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132697 1064231680 /nfs/dbraw/zinc/23/16/80/1064231680.db2.gz VBUMWXPWASBIQY-RLSLOFABSA-N 1 1 475.682 2.606 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132873 1064232302 /nfs/dbraw/zinc/23/23/02/1064232302.db2.gz XDFYJIYBJAKCGP-QRVBRYPASA-N 1 1 462.589 2.787 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133008 1064232620 /nfs/dbraw/zinc/23/26/20/1064232620.db2.gz SGJJUQYUVBUJNV-LJQANCHMSA-N 1 1 453.635 2.568 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001296133273 1064233003 /nfs/dbraw/zinc/23/30/03/1064233003.db2.gz YYMUWRGOLRLBKQ-JOCHJYFZSA-N 1 1 495.716 2.916 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296133359 1064233041 /nfs/dbraw/zinc/23/30/41/1064233041.db2.gz ZTFWBKNBDALAFA-FQEVSTJZSA-N 1 1 488.652 2.869 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133547 1064233664 /nfs/dbraw/zinc/23/36/64/1064233664.db2.gz IKDFAHXIQPHKER-CEMLEFRQSA-N 1 1 490.693 2.612 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752384 1064235165 /nfs/dbraw/zinc/23/51/65/1064235165.db2.gz IZIBZXPFZIGMPZ-OALUTQOASA-N 1 1 477.654 2.690 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001296134674 1064236589 /nfs/dbraw/zinc/23/65/89/1064236589.db2.gz ZMTRTGVPNBPYOX-UWJYYQICSA-N 1 1 475.588 2.560 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001291754816 1064237045 /nfs/dbraw/zinc/23/70/45/1064237045.db2.gz YAIYGZAWYBAVLH-QGZVFWFLSA-N 1 1 466.590 2.530 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001291754942 1064237363 /nfs/dbraw/zinc/23/73/63/1064237363.db2.gz YMUZNKKBEVGSCZ-RTBURBONSA-N 1 1 474.679 2.584 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134938 1064237618 /nfs/dbraw/zinc/23/76/18/1064237618.db2.gz TUHQUROUDRTMRG-DHLKQENFSA-N 1 1 472.682 2.561 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001291758697 1064238548 /nfs/dbraw/zinc/23/85/48/1064238548.db2.gz BQEZGEBFWXMYDN-MJGOQNOKSA-N 1 1 491.036 2.981 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001291759454 1064239668 /nfs/dbraw/zinc/23/96/68/1064239668.db2.gz FRALZYGOYJYRFV-KBPBESRZSA-N 1 1 454.417 2.584 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296135473 1064239646 /nfs/dbraw/zinc/23/96/46/1064239646.db2.gz YYGUDOZQDVQKRL-QMCAAQAGSA-N 1 1 462.683 2.836 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001291760760 1064241796 /nfs/dbraw/zinc/24/17/96/1064241796.db2.gz NOXIWWDZHSMIEA-KRWDZBQOSA-N 1 1 471.009 2.916 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001291761985 1064243369 /nfs/dbraw/zinc/24/33/69/1064243369.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 1 1 496.498 2.933 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001291761985 1064243376 /nfs/dbraw/zinc/24/33/76/1064243376.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 1 1 496.498 2.933 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001291762647 1064243822 /nfs/dbraw/zinc/24/38/22/1064243822.db2.gz ZBQBLIZISGFKQH-SFHVURJKSA-N 1 1 470.618 2.952 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001291762646 1064243934 /nfs/dbraw/zinc/24/39/34/1064243934.db2.gz ZBQBLIZISGFKQH-GOSISDBHSA-N 1 1 470.618 2.952 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765330 1064245688 /nfs/dbraw/zinc/24/56/88/1064245688.db2.gz LAPLMFHGBUMHOD-FGZHOGPDSA-N 1 1 497.688 2.817 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC001296140941 1064246626 /nfs/dbraw/zinc/24/66/26/1064246626.db2.gz ALDNZVGCBQBRAZ-UXHICEINSA-N 1 1 453.591 2.767 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCC2)C[C@H]1C ZINC001296140891 1064246668 /nfs/dbraw/zinc/24/66/68/1064246668.db2.gz ACFBQAQHWOUBBQ-QGZVFWFLSA-N 1 1 459.591 2.806 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291766201 1064247686 /nfs/dbraw/zinc/24/76/86/1064247686.db2.gz BFRBIQRJUKHERI-FBBABVLZSA-N 1 1 466.586 2.584 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001296141796 1064248233 /nfs/dbraw/zinc/24/82/33/1064248233.db2.gz ADQAPLKNAPYUFD-OAHLLOKOSA-N 1 1 454.604 2.772 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001291770932 1064252275 /nfs/dbraw/zinc/25/22/75/1064252275.db2.gz AUGZYBGZZWLNKR-JOCHJYFZSA-N 1 1 496.704 2.950 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296143388 1064252555 /nfs/dbraw/zinc/25/25/55/1064252555.db2.gz PSNUFOJDCBXGMB-PKOBYXMFSA-N 1 1 477.679 2.748 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001291771372 1064253811 /nfs/dbraw/zinc/25/38/11/1064253811.db2.gz DKXZOZNQACIEID-MOPGFXCFSA-N 1 1 483.617 2.954 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001291771374 1064253888 /nfs/dbraw/zinc/25/38/88/1064253888.db2.gz DKXZOZNQACIEID-OALUTQOASA-N 1 1 483.617 2.954 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001291771518 1064254336 /nfs/dbraw/zinc/25/43/36/1064254336.db2.gz IYFPTISLNSITAR-OAQYLSRUSA-N 1 1 461.614 2.962 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(COC)CC1 ZINC001291772485 1064256136 /nfs/dbraw/zinc/25/61/36/1064256136.db2.gz PAMMOOBLWQQKBZ-GOSISDBHSA-N 1 1 477.679 2.831 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296145892 1064256490 /nfs/dbraw/zinc/25/64/90/1064256490.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 1 1 477.451 2.613 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296145892 1064256499 /nfs/dbraw/zinc/25/64/99/1064256499.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 1 1 477.451 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001291772830 1064256747 /nfs/dbraw/zinc/25/67/47/1064256747.db2.gz CQFUEQZBNGJLLI-JQHSSLGASA-N 1 1 459.607 2.782 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)c2ccco2)C[C@@H]1C ZINC001296146663 1064257253 /nfs/dbraw/zinc/25/72/53/1064257253.db2.gz LFZSKDAICGYJOW-KRWDZBQOSA-N 1 1 498.584 2.524 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001291773648 1064259365 /nfs/dbraw/zinc/25/93/65/1064259365.db2.gz ILTGHKZLJCXIGX-TUNNFDKTSA-N 1 1 475.659 2.797 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001291773727 1064260250 /nfs/dbraw/zinc/26/02/50/1064260250.db2.gz VQXOPHXMDDNJNW-WXTAPIANSA-N 1 1 494.644 2.668 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291773900 1064260641 /nfs/dbraw/zinc/26/06/41/1064260641.db2.gz WBIRHSVKTFAKGO-OALUTQOASA-N 1 1 477.679 2.831 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260944 /nfs/dbraw/zinc/26/09/44/1064260944.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 1 1 486.661 2.994 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260949 /nfs/dbraw/zinc/26/09/49/1064260949.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296149826 1064261772 /nfs/dbraw/zinc/26/17/72/1064261772.db2.gz LBAOQKQKPFMHDY-ICSRJNTNSA-N 1 1 470.618 2.751 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774668 1064263556 /nfs/dbraw/zinc/26/35/56/1064263556.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 1 1 458.655 2.696 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774668 1064263565 /nfs/dbraw/zinc/26/35/65/1064263565.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 1 1 458.655 2.696 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001296153986 1064263757 /nfs/dbraw/zinc/26/37/57/1064263757.db2.gz ICGQZYDFFIRWPK-KRWDZBQOSA-N 1 1 452.559 2.945 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291775775 1064264824 /nfs/dbraw/zinc/26/48/24/1064264824.db2.gz ZMFWXRLWPVCTQK-SPEDKVCISA-N 1 1 456.591 2.578 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001296154472 1064265347 /nfs/dbraw/zinc/26/53/47/1064265347.db2.gz FWCRCAUSZHTXJM-WMLDXEAASA-N 1 1 452.481 2.707 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001291777037 1064265381 /nfs/dbraw/zinc/26/53/81/1064265381.db2.gz BCUTZQMRJYGDIX-KNQAVFIVSA-N 1 1 453.635 2.948 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291776995 1064265401 /nfs/dbraw/zinc/26/54/01/1064265401.db2.gz APSFUSVBUDJHBG-PKTZIBPZSA-N 1 1 496.704 2.517 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCCCCCO)c2ccccc2c1=O ZINC001296154507 1064265526 /nfs/dbraw/zinc/26/55/26/1064265526.db2.gz GOMIGFRFKZGGCY-LJQANCHMSA-N 1 1 467.618 2.758 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001296154804 1064265945 /nfs/dbraw/zinc/26/59/45/1064265945.db2.gz KFYFVYNXEBVEDL-RBUKOAKNSA-N 1 1 470.622 2.913 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001296155706 1064267124 /nfs/dbraw/zinc/26/71/24/1064267124.db2.gz RZMONDDRJHPOFP-HOYKHHGWSA-N 1 1 454.575 2.918 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001296155870 1064268239 /nfs/dbraw/zinc/26/82/39/1064268239.db2.gz SEPCMYXIHYBQIG-MIKNWGHHSA-N 1 1 471.631 2.672 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)C[C@@H]1C ZINC001296155870 1064268249 /nfs/dbraw/zinc/26/82/49/1064268249.db2.gz SEPCMYXIHYBQIG-MIKNWGHHSA-N 1 1 471.631 2.672 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001291781559 1064269012 /nfs/dbraw/zinc/26/90/12/1064269012.db2.gz GDBJKXBOHVRAKE-OXJNMPFZSA-N 1 1 458.636 2.676 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001296157457 1064269844 /nfs/dbraw/zinc/26/98/44/1064269844.db2.gz XPEWBLWBJDVOKV-SBHAEUEKSA-N 1 1 453.635 2.889 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296157504 1064269973 /nfs/dbraw/zinc/26/99/73/1064269973.db2.gz YJSPLBRSCLVYOI-CMKODMSKSA-N 1 1 470.622 2.911 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291782521 1064271598 /nfs/dbraw/zinc/27/15/98/1064271598.db2.gz PTWSHVNSIOEIBS-FKBYEOEOSA-N 1 1 473.710 2.587 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291782545 1064272500 /nfs/dbraw/zinc/27/25/00/1064272500.db2.gz FEUREZIXDDRQSL-PMACEKPBSA-N 1 1 491.681 2.967 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291782592 1064272520 /nfs/dbraw/zinc/27/25/20/1064272520.db2.gz QRUOXJYNIPTCCE-IBGZPJMESA-N 1 1 470.618 2.881 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001291782631 1064273587 /nfs/dbraw/zinc/27/35/87/1064273587.db2.gz FUGPRXMKTVANNV-UGKGYDQZSA-N 1 1 470.618 2.717 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001296159501 1064273776 /nfs/dbraw/zinc/27/37/76/1064273776.db2.gz MHGCNPNLWVFYES-AEFFLSMTSA-N 1 1 468.524 2.891 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001296160491 1064274311 /nfs/dbraw/zinc/27/43/11/1064274311.db2.gz HEXVVCGXKWSMDD-FQEVSTJZSA-N 1 1 461.614 2.739 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291783336 1064275805 /nfs/dbraw/zinc/27/58/05/1064275805.db2.gz ZXBQSJYYSRVVJH-OALUTQOASA-N 1 1 468.606 2.524 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296162294 1064276073 /nfs/dbraw/zinc/27/60/73/1064276073.db2.gz NIKWJJGEDDFHBN-KRWDZBQOSA-N 1 1 459.545 2.569 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296163053 1064276192 /nfs/dbraw/zinc/27/61/92/1064276192.db2.gz VWTGVWMUFZBWAR-RTBURBONSA-N 1 1 450.628 2.960 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001291783417 1064276293 /nfs/dbraw/zinc/27/62/93/1064276293.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001291783417 1064276299 /nfs/dbraw/zinc/27/62/99/1064276299.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291783410 1064276401 /nfs/dbraw/zinc/27/64/01/1064276401.db2.gz LGDZTCMJLGWBFA-IBGZPJMESA-N 1 1 456.591 2.709 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291783650 1064276967 /nfs/dbraw/zinc/27/69/67/1064276967.db2.gz BJVOTMHJCLESJD-FHWLQOOXSA-N 1 1 477.654 2.795 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001291783648 1064276988 /nfs/dbraw/zinc/27/69/88/1064276988.db2.gz BIUMYAWQCWEHRQ-RBBKRZOGSA-N 1 1 469.634 2.621 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001291783646 1064277157 /nfs/dbraw/zinc/27/71/57/1064277157.db2.gz BIUMYAWQCWEHRQ-IFMALSPDSA-N 1 1 469.634 2.621 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001291784070 1064278210 /nfs/dbraw/zinc/27/82/10/1064278210.db2.gz QKRSGUVUFSIJKQ-FQEVSTJZSA-N 1 1 466.634 2.902 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291784339 1064278938 /nfs/dbraw/zinc/27/89/38/1064278938.db2.gz FZPODYMSDOFFBT-WIYYLYMNSA-N 1 1 458.582 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784489 1064279569 /nfs/dbraw/zinc/27/95/69/1064279569.db2.gz RWGOQFTYPHFHDC-YADARESESA-N 1 1 491.658 2.611 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2C[C@]3(CCOC3)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291784676 1064279981 /nfs/dbraw/zinc/27/99/81/1064279981.db2.gz HRXDDUOFWRCMDA-OPXMRZJTSA-N 1 1 479.666 2.823 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001291784970 1064280547 /nfs/dbraw/zinc/28/05/47/1064280547.db2.gz UBEJWKSJHFSOSI-IBGZPJMESA-N 1 1 499.635 2.799 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001291787072 1064284212 /nfs/dbraw/zinc/28/42/12/1064284212.db2.gz XXBPPABZBYQQGR-KRWDZBQOSA-N 1 1 467.661 2.544 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291787310 1064284789 /nfs/dbraw/zinc/28/47/89/1064284789.db2.gz ZHZSSCCFZFMOHU-PUHATCMVSA-N 1 1 490.693 2.961 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296165432 1064284978 /nfs/dbraw/zinc/28/49/78/1064284978.db2.gz JJGAWQFURJHSQJ-ZCYQVOJMSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296165432 1064284988 /nfs/dbraw/zinc/28/49/88/1064284988.db2.gz JJGAWQFURJHSQJ-ZCYQVOJMSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296166222 1064286765 /nfs/dbraw/zinc/28/67/65/1064286765.db2.gz NHBGFRHKKJANAT-FGZHOGPDSA-N 1 1 456.635 2.664 20 0 JFADMO CCn1cccc(Cn2c(COc3cccc(C)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1=O ZINC001296166188 1064286851 /nfs/dbraw/zinc/28/68/51/1064286851.db2.gz MGGJVNKVBAWXJF-HXUWFJFHSA-N 1 1 450.587 2.926 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296166229 1064287541 /nfs/dbraw/zinc/28/75/41/1064287541.db2.gz NIMRMCKPRZQYGS-KRWDZBQOSA-N 1 1 468.524 2.683 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296166652 1064287573 /nfs/dbraw/zinc/28/75/73/1064287573.db2.gz NMCSVQHLIUIXAD-FQEVSTJZSA-N 1 1 467.618 2.930 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166223 1064287858 /nfs/dbraw/zinc/28/78/58/1064287858.db2.gz NHBGFRHKKJANAT-VXKWHMMOSA-N 1 1 456.635 2.664 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2ccccn2)C[C@H]1C ZINC001296166700 1064287959 /nfs/dbraw/zinc/28/79/59/1064287959.db2.gz ONINIWKIAJOSNR-GOSISDBHSA-N 1 1 468.631 2.697 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167107 1064288912 /nfs/dbraw/zinc/28/89/12/1064288912.db2.gz QRXZWNCVGZZFPG-PMACEKPBSA-N 1 1 473.691 2.922 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290096 /nfs/dbraw/zinc/29/00/96/1064290096.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 1 1 459.664 2.532 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290104 /nfs/dbraw/zinc/29/01/04/1064290104.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 1 1 459.664 2.532 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290736 /nfs/dbraw/zinc/29/07/36/1064290736.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290747 /nfs/dbraw/zinc/29/07/47/1064290747.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)NC)C[C@@H]1C ZINC001296167392 1064290862 /nfs/dbraw/zinc/29/08/62/1064290862.db2.gz SFPRTVDFXFKNSL-SFHVURJKSA-N 1 1 463.026 2.918 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296168967 1064292520 /nfs/dbraw/zinc/29/25/20/1064292520.db2.gz ZHJZFEALDCNJFC-IBGZPJMESA-N 1 1 458.607 2.955 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001296171973 1064293846 /nfs/dbraw/zinc/29/38/46/1064293846.db2.gz XBAFDAJVZDSIMP-QGZVFWFLSA-N 1 1 483.642 2.603 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001296171971 1064294061 /nfs/dbraw/zinc/29/40/61/1064294061.db2.gz XBAFDAJVZDSIMP-KRWDZBQOSA-N 1 1 483.642 2.603 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296173705 1064297316 /nfs/dbraw/zinc/29/73/16/1064297316.db2.gz KMZNOSAGNDGIEN-LJQANCHMSA-N 1 1 477.053 2.888 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OC)C[C@@H]1C ZINC001296173954 1064300670 /nfs/dbraw/zinc/30/06/70/1064300670.db2.gz NELAZPDAEWNBOH-SFHVURJKSA-N 1 1 452.559 2.848 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296174172 1064301218 /nfs/dbraw/zinc/30/12/18/1064301218.db2.gz PFCMTIXYJNPTTP-MWRIXTAVSA-N 1 1 461.582 2.579 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001296175053 1064303813 /nfs/dbraw/zinc/30/38/13/1064303813.db2.gz VMKYAAXNWBMHCY-QRVBRYPASA-N 1 1 491.681 2.884 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291797562 1064307076 /nfs/dbraw/zinc/30/70/76/1064307076.db2.gz XUCQXXJQXIQYBX-RBBKRZOGSA-N 1 1 481.645 2.530 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296178736 1064307218 /nfs/dbraw/zinc/30/72/18/1064307218.db2.gz CNLGCBVMUROQER-ZJCBTPCYSA-N 1 1 474.625 2.934 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179143 1064308148 /nfs/dbraw/zinc/30/81/48/1064308148.db2.gz DMSJSOIGIJWRRT-JTHBVZDNSA-N 1 1 456.635 2.575 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001296179903 1064310248 /nfs/dbraw/zinc/31/02/48/1064310248.db2.gz HXHUCLXDCLRHRO-SFHVURJKSA-N 1 1 499.557 2.782 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180519 1064311439 /nfs/dbraw/zinc/31/14/39/1064311439.db2.gz NTOXZBIVFDUXAR-LJQANCHMSA-N 1 1 492.043 2.726 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C2)CC1 ZINC001296181123 1064313590 /nfs/dbraw/zinc/31/35/90/1064313590.db2.gz VKUHNVGRZLMANQ-KRWDZBQOSA-N 1 1 450.429 2.908 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3C[C@H](C)OC)C2)CC1 ZINC001296181667 1064317086 /nfs/dbraw/zinc/31/70/86/1064317086.db2.gz AWJKVVQILYCLOZ-VXKWHMMOSA-N 1 1 456.635 2.725 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181751 1064317851 /nfs/dbraw/zinc/31/78/51/1064317851.db2.gz ZXCOIJBROIUJCE-RBBKRZOGSA-N 1 1 455.651 2.926 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181965 1064320693 /nfs/dbraw/zinc/32/06/93/1064320693.db2.gz IJKKPEUIOQMTKM-VWNXMTODSA-N 1 1 481.689 2.992 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296182882 1064325466 /nfs/dbraw/zinc/32/54/66/1064325466.db2.gz ALKAOAQHQOCAHV-XXBNENTESA-N 1 1 488.080 2.977 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183192 1064327618 /nfs/dbraw/zinc/32/76/18/1064327618.db2.gz ZYSUTIRSEPTCED-PWRODBHTSA-N 1 1 462.683 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183806 1064329731 /nfs/dbraw/zinc/32/97/31/1064329731.db2.gz GHZRGAXCAGADIE-PMACEKPBSA-N 1 1 477.698 2.990 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296184315 1064331010 /nfs/dbraw/zinc/33/10/10/1064331010.db2.gz JOQPBPRIHJHELC-AQNXPRMDSA-N 1 1 486.690 2.529 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296184082 1064331093 /nfs/dbraw/zinc/33/10/93/1064331093.db2.gz IVGBQCJRGDWXBC-MSOLQXFVSA-N 1 1 492.043 2.678 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185048 1064333114 /nfs/dbraw/zinc/33/31/14/1064333114.db2.gz NZYKKCVTEDUSQZ-GOSISDBHSA-N 1 1 474.053 2.734 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001296186585 1064334301 /nfs/dbraw/zinc/33/43/01/1064334301.db2.gz WNSLSMDWDXQQJM-FQEVSTJZSA-N 1 1 485.677 2.958 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190368 1064338759 /nfs/dbraw/zinc/33/87/59/1064338759.db2.gz CPLOLIXWMVTKGT-ZWKOTPCHSA-N 1 1 456.557 2.754 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001296191560 1064341911 /nfs/dbraw/zinc/34/19/11/1064341911.db2.gz JMGBKZJVLCTLMC-GOSISDBHSA-N 1 1 453.557 2.926 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192043 1064343399 /nfs/dbraw/zinc/34/33/99/1064343399.db2.gz LOUVPVAXCLJMQL-QFIPXVFZSA-N 1 1 467.662 2.619 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296192535 1064346129 /nfs/dbraw/zinc/34/61/29/1064346129.db2.gz FVYWOMRLGYJBQU-NLFFAJNJSA-N 1 1 455.651 2.927 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001296192588 1064346599 /nfs/dbraw/zinc/34/65/99/1064346599.db2.gz GBXDAKBTFWHIIS-IFMALSPDSA-N 1 1 485.652 2.662 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001296192594 1064346713 /nfs/dbraw/zinc/34/67/13/1064346713.db2.gz GBXDAKBTFWHIIS-IRLDBZIGSA-N 1 1 485.652 2.662 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291817328 1064348731 /nfs/dbraw/zinc/34/87/31/1064348731.db2.gz KGNKKCGACHETPL-GIWBLDEGSA-N 1 1 468.646 2.639 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291817326 1064348790 /nfs/dbraw/zinc/34/87/90/1064348790.db2.gz KGNKKCGACHETPL-FUDKSRODSA-N 1 1 468.646 2.639 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193188 1064349602 /nfs/dbraw/zinc/34/96/02/1064349602.db2.gz HVOVGNZPDRLRSU-YADHBBJMSA-N 1 1 475.726 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296193648 1064351578 /nfs/dbraw/zinc/35/15/78/1064351578.db2.gz KCKRCITWOSFEIG-HXUWFJFHSA-N 1 1 464.618 2.654 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193708 1064352500 /nfs/dbraw/zinc/35/25/00/1064352500.db2.gz PEGUDNNKFUMLNZ-UNMCSNQZSA-N 1 1 489.709 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194081 1064354185 /nfs/dbraw/zinc/35/41/85/1064354185.db2.gz LHOBQRRAWKGUCV-ZVDOUQERSA-N 1 1 475.682 2.779 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296194124 1064354566 /nfs/dbraw/zinc/35/45/66/1064354566.db2.gz LSYWRIARCCTCLM-IRLDBZIGSA-N 1 1 486.661 2.851 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291818420 1064355630 /nfs/dbraw/zinc/35/56/30/1064355630.db2.gz VBEQEUKPGLNKDS-FPOVZHCZSA-N 1 1 489.064 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194441 1064356030 /nfs/dbraw/zinc/35/60/30/1064356030.db2.gz SKIKHCXBMABKOY-QUCCMNQESA-N 1 1 461.680 2.847 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194694 1064357416 /nfs/dbraw/zinc/35/74/16/1064357416.db2.gz NXBPWNMMSHIZQO-SFHVURJKSA-N 1 1 493.578 2.962 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194982 1064358233 /nfs/dbraw/zinc/35/82/33/1064358233.db2.gz UIDDZFKJCZZNNS-WOJBJXKFSA-N 1 1 473.691 2.933 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3F)n2CCCCN2CC[NH+](CC)CC2)CC1=O ZINC001296194893 1064358273 /nfs/dbraw/zinc/35/82/73/1064358273.db2.gz HTDSOAZRQNYNRD-UHFFFAOYSA-N 1 1 471.625 2.561 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195333 1064361064 /nfs/dbraw/zinc/36/10/64/1064361064.db2.gz OTBBKGBCJFBJPI-TUGCOKMYSA-N 1 1 492.709 2.671 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195442 1064361756 /nfs/dbraw/zinc/36/17/56/1064361756.db2.gz KPAAHARITMHRHV-OYRHEFFESA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822222 1064362116 /nfs/dbraw/zinc/36/21/16/1064362116.db2.gz ZFLNVUHYRYSZOO-MOPGFXCFSA-N 1 1 460.648 2.861 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296196403 1064367264 /nfs/dbraw/zinc/36/72/64/1064367264.db2.gz SZPKSPWOZITTGZ-OAHLLOKOSA-N 1 1 476.427 2.786 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296196501 1064367485 /nfs/dbraw/zinc/36/74/85/1064367485.db2.gz UDVYINJFELCEPK-MOPGFXCFSA-N 1 1 474.053 2.539 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001291822993 1064367581 /nfs/dbraw/zinc/36/75/81/1064367581.db2.gz PSDPFYFTYVAYDT-OALUTQOASA-N 1 1 487.674 2.650 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296196547 1064368045 /nfs/dbraw/zinc/36/80/45/1064368045.db2.gz UIRJXUHKLIHRPM-QGZVFWFLSA-N 1 1 489.466 2.888 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196560 1064368085 /nfs/dbraw/zinc/36/80/85/1064368085.db2.gz USVKFNBIDZZDQG-BJLQDIEVSA-N 1 1 483.583 2.713 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC001296196914 1064370175 /nfs/dbraw/zinc/37/01/75/1064370175.db2.gz VVRIBQQGQQGOPB-GOSISDBHSA-N 1 1 479.633 2.898 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001296196862 1064370494 /nfs/dbraw/zinc/37/04/94/1064370494.db2.gz VMINPKOJLSHDMD-UHFFFAOYSA-N 1 1 463.671 2.745 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296197085 1064372816 /nfs/dbraw/zinc/37/28/16/1064372816.db2.gz STNXFVFLHUTSCS-UHFFFAOYSA-N 1 1 492.043 2.857 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197384 1064373365 /nfs/dbraw/zinc/37/33/65/1064373365.db2.gz XQHZYCPADLOCHM-RDGATRHJSA-N 1 1 462.683 2.829 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296201828 1064375877 /nfs/dbraw/zinc/37/58/77/1064375877.db2.gz BGMHWHMUWSGGET-JOCHJYFZSA-N 1 1 456.635 2.808 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296202152 1064377081 /nfs/dbraw/zinc/37/70/81/1064377081.db2.gz FKSPMWWZDUSUMJ-SZPZYZBQSA-N 1 1 470.662 2.909 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2ccccc2)CC1 ZINC001296202269 1064377874 /nfs/dbraw/zinc/37/78/74/1064377874.db2.gz CGXZKIFENQBWNA-QHCPKHFHSA-N 1 1 467.662 2.655 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291827529 1064378228 /nfs/dbraw/zinc/37/82/28/1064378228.db2.gz LVGPUYRXZRDLQY-HVJVJISESA-N 1 1 490.693 2.658 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC3CC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001296202983 1064379992 /nfs/dbraw/zinc/37/99/92/1064379992.db2.gz JTSSDHIEUUURGW-LJQANCHMSA-N 1 1 471.616 2.721 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296203054 1064380638 /nfs/dbraw/zinc/38/06/38/1064380638.db2.gz KRDFKANSOSXCSC-HSZRJFAPSA-N 1 1 468.646 2.594 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296203758 1064382755 /nfs/dbraw/zinc/38/27/55/1064382755.db2.gz OZQZDWXYTJHGLT-ROUUACIJSA-N 1 1 494.482 2.687 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001296203781 1064383479 /nfs/dbraw/zinc/38/34/79/1064383479.db2.gz OCZPLQBRYJLAEK-UHFFFAOYSA-N 1 1 459.683 2.801 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cnn(C)c3)C2)CC1 ZINC001296203783 1064383596 /nfs/dbraw/zinc/38/35/96/1064383596.db2.gz ODPMPWIXPPAZFK-QFIPXVFZSA-N 1 1 472.682 2.596 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001296204380 1064386437 /nfs/dbraw/zinc/38/64/37/1064386437.db2.gz SWMWXWABUJWSTR-JOCHJYFZSA-N 1 1 459.683 2.691 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296204594 1064386516 /nfs/dbraw/zinc/38/65/16/1064386516.db2.gz TZGUEILFJVTNBV-QHCPKHFHSA-N 1 1 497.688 2.559 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296204929 1064387825 /nfs/dbraw/zinc/38/78/25/1064387825.db2.gz NOYJJPMQOXOIRS-FQEVSTJZSA-N 1 1 481.567 2.915 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296206271 1064394083 /nfs/dbraw/zinc/39/40/83/1064394083.db2.gz LQPNCOXUUNOZNT-JOCHJYFZSA-N 1 1 474.053 2.731 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001296206296 1064394789 /nfs/dbraw/zinc/39/47/89/1064394789.db2.gz MMQVVTBIBPWIDR-LJQANCHMSA-N 1 1 481.016 2.617 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832253 1064395132 /nfs/dbraw/zinc/39/51/32/1064395132.db2.gz GAYPZHZJIUVPJA-FGZHOGPDSA-N 1 1 496.704 2.887 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832257 1064395937 /nfs/dbraw/zinc/39/59/37/1064395937.db2.gz GBOSHXOBGQSNRN-FGZHOGPDSA-N 1 1 497.688 2.722 20 0 JFADMO CCN1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296211841 1064402761 /nfs/dbraw/zinc/40/27/61/1064402761.db2.gz QEALFUCEWBZBIC-DEOSSOPVSA-N 1 1 473.691 2.924 20 0 JFADMO CCn1nc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC001296212971 1064405165 /nfs/dbraw/zinc/40/51/65/1064405165.db2.gz DCOPFVUGRJYOMR-GOSISDBHSA-N 1 1 494.644 2.640 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296213361 1064408608 /nfs/dbraw/zinc/40/86/08/1064408608.db2.gz IANAQAAAMRZBCL-FQEVSTJZSA-N 1 1 477.698 2.954 20 0 JFADMO CCn1nc(-c2nnc(N(C)CCC(=O)NC)n2CCC[N@H+]2CCCC[C@H]2C)c2ccccc2c1=O ZINC001296213510 1064409431 /nfs/dbraw/zinc/40/94/31/1064409431.db2.gz FQFKENTXGUUREK-LJQANCHMSA-N 1 1 494.644 2.512 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CC[C@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213914 1064411474 /nfs/dbraw/zinc/41/14/74/1064411474.db2.gz LHOIIXJZXGQEED-RUZDIDTESA-N 1 1 458.626 2.840 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296214300 1064411846 /nfs/dbraw/zinc/41/18/46/1064411846.db2.gz NFBKJPDSMSQCBJ-QFIPXVFZSA-N 1 1 456.635 2.727 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296214849 1064414488 /nfs/dbraw/zinc/41/44/88/1064414488.db2.gz PEINZEIRFWGXLN-NFBKMPQASA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001291837219 1064420119 /nfs/dbraw/zinc/42/01/19/1064420119.db2.gz UOXLFOHIGJVBFK-NRFANRHFSA-N 1 1 496.704 2.807 20 0 JFADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291839864 1064435099 /nfs/dbraw/zinc/43/50/99/1064435099.db2.gz NTDZUXDZRHLELQ-GLSWWRQESA-N 1 1 468.646 2.770 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291839998 1064435748 /nfs/dbraw/zinc/43/57/48/1064435748.db2.gz OQLFCVHHCOBCGQ-YPAWHYETSA-N 1 1 489.709 2.677 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291839995 1064435766 /nfs/dbraw/zinc/43/57/66/1064435766.db2.gz OQLFCVHHCOBCGQ-BHDDXSALSA-N 1 1 489.709 2.677 20 0 JFADMO CCn1nc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296221767 1064441877 /nfs/dbraw/zinc/44/18/77/1064441877.db2.gz IPLOVKJQPKOGTN-IBGZPJMESA-N 1 1 497.644 2.647 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001296225366 1064454044 /nfs/dbraw/zinc/45/40/44/1064454044.db2.gz MZTATVNTHFJANZ-NQIIRXRSSA-N 1 1 487.693 2.812 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001291849827 1064455125 /nfs/dbraw/zinc/45/51/25/1064455125.db2.gz LPGJMQUTTQGCOR-QFIPXVFZSA-N 1 1 491.640 2.909 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001291849827 1064455132 /nfs/dbraw/zinc/45/51/32/1064455132.db2.gz LPGJMQUTTQGCOR-QFIPXVFZSA-N 1 1 491.640 2.909 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296226779 1064458064 /nfs/dbraw/zinc/45/80/64/1064458064.db2.gz ZYJJGUXUWOOHDS-QGZVFWFLSA-N 1 1 490.052 2.554 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291852455 1064459752 /nfs/dbraw/zinc/45/97/52/1064459752.db2.gz YALSGLUUHUPVLQ-RQNQAMLKSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291852455 1064459757 /nfs/dbraw/zinc/45/97/57/1064459757.db2.gz YALSGLUUHUPVLQ-RQNQAMLKSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001291853686 1064461151 /nfs/dbraw/zinc/46/11/51/1064461151.db2.gz WEOJYRWEJDCQHL-XJUOHMSHSA-N 1 1 498.672 2.648 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001291853686 1064461163 /nfs/dbraw/zinc/46/11/63/1064461163.db2.gz WEOJYRWEJDCQHL-XJUOHMSHSA-N 1 1 498.672 2.648 20 0 JFADMO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296229902 1064464098 /nfs/dbraw/zinc/46/40/98/1064464098.db2.gz DCECILKAANSXGX-JKSUJKDBSA-N 1 1 457.687 2.868 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857591 1064465439 /nfs/dbraw/zinc/46/54/39/1064465439.db2.gz ODWMVAVFVCUSLT-TUACAJSNSA-N 1 1 482.673 2.970 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857592 1064465456 /nfs/dbraw/zinc/46/54/56/1064465456.db2.gz ODWMVAVFVCUSLT-ZTCOLXNVSA-N 1 1 482.673 2.970 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291862179 1064471514 /nfs/dbraw/zinc/47/15/14/1064471514.db2.gz IPKRSGIMTJAVSU-PKTZIBPZSA-N 1 1 468.646 2.629 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291862842 1064473220 /nfs/dbraw/zinc/47/32/20/1064473220.db2.gz MDYCVLYNFPHJDY-MZEQIWSPSA-N 1 1 468.646 2.751 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296241581 1064497576 /nfs/dbraw/zinc/49/75/76/1064497576.db2.gz RJHRLVDLGRDCPC-MSOLQXFVSA-N 1 1 460.648 2.889 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291880609 1064502118 /nfs/dbraw/zinc/50/21/18/1064502118.db2.gz HINQEFPWPHXQOE-XMMPIXPASA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291880609 1064502130 /nfs/dbraw/zinc/50/21/30/1064502130.db2.gz HINQEFPWPHXQOE-XMMPIXPASA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291880609 1064502146 /nfs/dbraw/zinc/50/21/46/1064502146.db2.gz HINQEFPWPHXQOE-XMMPIXPASA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291888350 1064511450 /nfs/dbraw/zinc/51/14/50/1064511450.db2.gz RRJYKTZJQKJGEZ-DNQXCXABSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291888352 1064511639 /nfs/dbraw/zinc/51/16/39/1064511639.db2.gz RRJYKTZJQKJGEZ-ZEQRLZLVSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1COCCO1)c1ccccc1 ZINC001291888493 1064512006 /nfs/dbraw/zinc/51/20/06/1064512006.db2.gz NWDVIBISVYZWCF-BJKOFHAPSA-N 1 1 498.672 2.616 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1COCCO1)c1ccccc1 ZINC001291888493 1064512016 /nfs/dbraw/zinc/51/20/16/1064512016.db2.gz NWDVIBISVYZWCF-BJKOFHAPSA-N 1 1 498.672 2.616 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCC(=O)N(C)C)c1ccccc1 ZINC001291891080 1064516737 /nfs/dbraw/zinc/51/67/37/1064516737.db2.gz CVNWUZQEUCXKSA-NFBKMPQASA-N 1 1 468.646 2.988 20 0 JFADMO CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCC1 ZINC001296255217 1064517450 /nfs/dbraw/zinc/51/74/50/1064517450.db2.gz JWENXDRBWZGOQK-SFHVURJKSA-N 1 1 487.674 2.667 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001291894443 1064524256 /nfs/dbraw/zinc/52/42/56/1064524256.db2.gz QAALJSVLKGFORN-HSZRJFAPSA-N 1 1 470.662 2.699 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001291897041 1064528427 /nfs/dbraw/zinc/52/84/27/1064528427.db2.gz AFDUEPJPWBULKH-XPWALMASSA-N 1 1 454.619 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001291898314 1064528889 /nfs/dbraw/zinc/52/88/89/1064528889.db2.gz FKVYZBJDUZCQSH-FCHUYYIVSA-N 1 1 465.602 2.757 20 0 JFADMO CC[C@H](c1nnc(N2CCNC(=O)CC2)n1CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291898678 1064529819 /nfs/dbraw/zinc/52/98/19/1064529819.db2.gz HRJCQAFWJFKCIL-QHCPKHFHSA-N 1 1 467.662 2.564 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(C3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001296273947 1064543234 /nfs/dbraw/zinc/54/32/34/1064543234.db2.gz QJHOZYFAPAQUHS-UHFFFAOYSA-N 1 1 454.619 2.748 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001296274904 1064544764 /nfs/dbraw/zinc/54/47/64/1064544764.db2.gz URTGVRXKZYJNRN-JOCHJYFZSA-N 1 1 468.646 2.966 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCOCC)CC2)c1 ZINC001296279053 1064548921 /nfs/dbraw/zinc/54/89/21/1064548921.db2.gz AGVOKOHXYUBJMU-UHFFFAOYSA-N 1 1 477.613 2.605 20 0 JFADMO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001296280005 1064550158 /nfs/dbraw/zinc/55/01/58/1064550158.db2.gz KWLFNNUJTCGOTM-LJQANCHMSA-N 1 1 456.564 2.864 20 0 JFADMO CCn1c(SCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nnc1-c1ccco1 ZINC001296280022 1064550621 /nfs/dbraw/zinc/55/06/21/1064550621.db2.gz LKIUJWHSBWIUDI-LJQANCHMSA-N 1 1 455.584 2.923 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC001296283098 1064554844 /nfs/dbraw/zinc/55/48/44/1064554844.db2.gz UCGLXDZTDPZPCR-DENIHFKCSA-N 1 1 468.646 2.822 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296286266 1064557451 /nfs/dbraw/zinc/55/74/51/1064557451.db2.gz IZEISGGNNCJAJA-ISKFKSNPSA-N 1 1 481.689 2.960 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001296288533 1064561719 /nfs/dbraw/zinc/56/17/19/1064561719.db2.gz KXHLYYWGXFIIHZ-OAQYLSRUSA-N 1 1 474.053 2.731 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001291951849 1064564207 /nfs/dbraw/zinc/56/42/07/1064564207.db2.gz HTMVOUNWGOYYLI-AZUAARDMSA-N 1 1 464.655 2.557 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296289646 1064565206 /nfs/dbraw/zinc/56/52/06/1064565206.db2.gz VHECFYCNNOVOFP-NRFANRHFSA-N 1 1 488.080 2.977 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291953137 1064566158 /nfs/dbraw/zinc/56/61/58/1064566158.db2.gz OVZSFAXHBUNASJ-PZJWPPBQSA-N 1 1 485.633 2.678 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001296293595 1064569179 /nfs/dbraw/zinc/56/91/79/1064569179.db2.gz AMQQPDDVGHJTRY-UHFFFAOYSA-N 1 1 481.689 2.700 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001296293915 1064570062 /nfs/dbraw/zinc/57/00/62/1064570062.db2.gz FQTJVEZAMWJZRB-QFIPXVFZSA-N 1 1 488.080 2.655 20 0 JFADMO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)C)CC1)N1CCOCC1 ZINC001291963522 1064576730 /nfs/dbraw/zinc/57/67/30/1064576730.db2.gz KQJXMCFJIBHQQC-HSZRJFAPSA-N 1 1 470.666 2.793 20 0 JFADMO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)C)CC1)N1CCOCC1 ZINC001291963522 1064576742 /nfs/dbraw/zinc/57/67/42/1064576742.db2.gz KQJXMCFJIBHQQC-HSZRJFAPSA-N 1 1 470.666 2.793 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001296306195 1064584606 /nfs/dbraw/zinc/58/46/06/1064584606.db2.gz HCKWOFCDTTZEMY-KRWDZBQOSA-N 1 1 477.560 2.882 20 0 JFADMO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C(C)C)CC1)N1CCOCC1 ZINC001291972544 1064587084 /nfs/dbraw/zinc/58/70/84/1064587084.db2.gz BQDZTVUAXQSEPB-DEOSSOPVSA-N 1 1 486.709 2.807 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001296317305 1064599189 /nfs/dbraw/zinc/59/91/89/1064599189.db2.gz BAPMQUNHTKILRJ-UHFFFAOYSA-N 1 1 467.618 2.587 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001296318452 1064602028 /nfs/dbraw/zinc/60/20/28/1064602028.db2.gz YGVDJBLNJZWYRJ-UHFFFAOYSA-N 1 1 496.685 2.985 20 0 JFADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)c2)CCO1 ZINC001291990588 1064607056 /nfs/dbraw/zinc/60/70/56/1064607056.db2.gz JKEWPEJEAJAVDH-CQSZACIVSA-N 1 1 451.354 2.655 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)c2)CCO1 ZINC001291990588 1064607066 /nfs/dbraw/zinc/60/70/66/1064607066.db2.gz JKEWPEJEAJAVDH-CQSZACIVSA-N 1 1 451.354 2.655 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990934 1064607574 /nfs/dbraw/zinc/60/75/74/1064607574.db2.gz OLUJBHQCAOHCNP-XYURVEJXSA-N 1 1 451.567 2.752 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990934 1064607580 /nfs/dbraw/zinc/60/75/80/1064607580.db2.gz OLUJBHQCAOHCNP-XYURVEJXSA-N 1 1 451.567 2.752 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cn2ccsc2n1 ZINC001292006808 1064626183 /nfs/dbraw/zinc/62/61/83/1064626183.db2.gz JNYMAFDLCIHYLF-UHFFFAOYSA-N 1 1 488.662 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cn2ccsc2n1 ZINC001292006808 1064626187 /nfs/dbraw/zinc/62/61/87/1064626187.db2.gz JNYMAFDLCIHYLF-UHFFFAOYSA-N 1 1 488.662 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292013008 1064638032 /nfs/dbraw/zinc/63/80/32/1064638032.db2.gz GXICUFBIBFIBDE-VXKWHMMOSA-N 1 1 481.645 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292013400 1064640164 /nfs/dbraw/zinc/64/01/64/1064640164.db2.gz KAXZENLUIBBPNX-GOSISDBHSA-N 1 1 464.655 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292014076 1064642914 /nfs/dbraw/zinc/64/29/14/1064642914.db2.gz OIYXOFWRIMWBKK-UHFFFAOYSA-N 1 1 459.683 2.991 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001292017850 1064651529 /nfs/dbraw/zinc/65/15/29/1064651529.db2.gz MXIXMZFNGSPKIM-VGSWGCGISA-N 1 1 490.599 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017649 1064651540 /nfs/dbraw/zinc/65/15/40/1064651540.db2.gz LMWDARKOCDEQHH-NZQKXSOJSA-N 1 1 487.693 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001292017849 1064651589 /nfs/dbraw/zinc/65/15/89/1064651589.db2.gz MXIXMZFNGSPKIM-VGOFRKELSA-N 1 1 490.599 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(F)cc1F ZINC001292018291 1064653228 /nfs/dbraw/zinc/65/32/28/1064653228.db2.gz QDKZXDTVUUBGBQ-KKSFZXQISA-N 1 1 476.572 2.680 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019459 1064657616 /nfs/dbraw/zinc/65/76/16/1064657616.db2.gz FEXKIQVJMDXQJW-SJORKVTESA-N 1 1 452.393 2.667 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019459 1064657620 /nfs/dbraw/zinc/65/76/20/1064657620.db2.gz FEXKIQVJMDXQJW-SJORKVTESA-N 1 1 452.393 2.667 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025920 1064678259 /nfs/dbraw/zinc/67/82/59/1064678259.db2.gz XCHZBYUSIMDTRJ-QZTJIDSGSA-N 1 1 491.681 2.982 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030098 1064687043 /nfs/dbraw/zinc/68/70/43/1064687043.db2.gz LTKCRQLVYVCIPL-PZJWPPBQSA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001292036119 1064699212 /nfs/dbraw/zinc/69/92/12/1064699212.db2.gz PRGURSKAIAPZEL-SFHVURJKSA-N 1 1 474.572 2.822 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292036306 1064700376 /nfs/dbraw/zinc/70/03/76/1064700376.db2.gz MZMGYRFGWNIAIX-KDURUIRLSA-N 1 1 489.709 2.915 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001292041106 1064706115 /nfs/dbraw/zinc/70/61/15/1064706115.db2.gz JPANPYQEIDBLFL-WXVAWEFUSA-N 1 1 495.672 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001292048256 1064713337 /nfs/dbraw/zinc/71/33/37/1064713337.db2.gz GUFLYHCYNIAUCK-QGZVFWFLSA-N 1 1 456.639 2.797 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292053687 1064718740 /nfs/dbraw/zinc/71/87/40/1064718740.db2.gz RDVXPIMNTAJXNQ-JOCHJYFZSA-N 1 1 487.693 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292053708 1064719019 /nfs/dbraw/zinc/71/90/19/1064719019.db2.gz RPAXODRWZKQQKY-PKTZIBPZSA-N 1 1 490.693 2.949 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC1(F)CCC1 ZINC001292054719 1064721049 /nfs/dbraw/zinc/72/10/49/1064721049.db2.gz HPSCEGIEUSCFLW-GOSISDBHSA-N 1 1 450.603 2.637 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292054859 1064721959 /nfs/dbraw/zinc/72/19/59/1064721959.db2.gz LDMGUPPFGFZJQY-UXHICEINSA-N 1 1 485.681 2.825 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(F)(F)F ZINC001292055141 1064723188 /nfs/dbraw/zinc/72/31/88/1064723188.db2.gz OGAWXKXGBSFIPD-INIZCTEOSA-N 1 1 460.545 2.698 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292078415 1064760883 /nfs/dbraw/zinc/76/08/83/1064760883.db2.gz GNFYYOSMRFARTJ-UHFFFAOYSA-N 1 1 496.498 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001292084974 1064767367 /nfs/dbraw/zinc/76/73/67/1064767367.db2.gz LHKBZJXQJDKCAB-FPOVZHCZSA-N 1 1 499.660 2.979 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCn1cc[nH+]c1C ZINC001292090058 1064774753 /nfs/dbraw/zinc/77/47/53/1064774753.db2.gz NODNZIRHKBSESN-IBGZPJMESA-N 1 1 472.638 2.533 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292091440 1064778653 /nfs/dbraw/zinc/77/86/53/1064778653.db2.gz VKGFJGLQXHGAMW-PZJWPPBQSA-N 1 1 471.654 2.750 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292094234 1064783699 /nfs/dbraw/zinc/78/36/99/1064783699.db2.gz IXDKYHJOAGIRSE-MSOLQXFVSA-N 1 1 458.611 2.614 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292099323 1064789679 /nfs/dbraw/zinc/78/96/79/1064789679.db2.gz AVYPNRWMJJUETF-QZTJIDSGSA-N 1 1 469.594 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCNC(=O)c1ccc(C)cc1 ZINC001292104277 1064796628 /nfs/dbraw/zinc/79/66/28/1064796628.db2.gz CRWIMZLWGOEXDR-UHFFFAOYSA-N 1 1 483.661 2.855 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001292105457 1064798617 /nfs/dbraw/zinc/79/86/17/1064798617.db2.gz KUZWBEJQRBWQEQ-UHFFFAOYSA-N 1 1 472.663 2.632 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292109167 1064807021 /nfs/dbraw/zinc/80/70/21/1064807021.db2.gz FKXFNVYLPGPLDV-HLAWJBBLSA-N 1 1 473.666 2.518 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCn1cc[nH+]c1C ZINC001292115198 1064831955 /nfs/dbraw/zinc/83/19/55/1064831955.db2.gz FBYFUDUBWNCIKK-UHFFFAOYSA-N 1 1 486.024 2.777 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2C(F)F)CC1 ZINC001292121785 1064852982 /nfs/dbraw/zinc/85/29/82/1064852982.db2.gz JWDQXIYTUCGIJG-CYBMUJFWSA-N 1 1 454.522 2.754 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001292122476 1064857838 /nfs/dbraw/zinc/85/78/38/1064857838.db2.gz SGZBQQPDEQNQJM-UHFFFAOYSA-N 1 1 492.738 2.930 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1ccc(C)nc1 ZINC001292124743 1064867233 /nfs/dbraw/zinc/86/72/33/1064867233.db2.gz PBSZBSIJVIPRLM-UHFFFAOYSA-N 1 1 493.660 2.621 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292126440 1064875585 /nfs/dbraw/zinc/87/55/85/1064875585.db2.gz QCOAOOMBMWGBKZ-LJQANCHMSA-N 1 1 473.666 2.520 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)SC ZINC001292127142 1064880919 /nfs/dbraw/zinc/88/09/19/1064880919.db2.gz XULVLHVXDHTEGY-IAGOWNOFSA-N 1 1 452.669 2.638 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001292133384 1064887539 /nfs/dbraw/zinc/88/75/39/1064887539.db2.gz JDOFQZMPEQUYCS-VWLOTQADSA-N 1 1 489.665 2.882 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(CSC)cc1 ZINC001292133762 1064888864 /nfs/dbraw/zinc/88/88/64/1064888864.db2.gz LBGNUJCKTNEOBT-NRFANRHFSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(CSC)cc1 ZINC001292133762 1064888876 /nfs/dbraw/zinc/88/88/76/1064888876.db2.gz LBGNUJCKTNEOBT-NRFANRHFSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292143121 1064910733 /nfs/dbraw/zinc/91/07/33/1064910733.db2.gz AOJWQERPDIRPCO-RTBURBONSA-N 1 1 488.637 2.586 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292143446 1064912105 /nfs/dbraw/zinc/91/21/05/1064912105.db2.gz FHHFQNDDJHYLNQ-MOPGFXCFSA-N 1 1 488.637 2.765 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292143448 1064912175 /nfs/dbraw/zinc/91/21/75/1064912175.db2.gz FHHFQNDDJHYLNQ-RBUKOAKNSA-N 1 1 488.637 2.765 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001292145428 1064919572 /nfs/dbraw/zinc/91/95/72/1064919572.db2.gz GYYJDIQATNEUAQ-FQEVSTJZSA-N 1 1 464.680 2.562 20 0 JFADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@@H](C)O1 ZINC001292149043 1064927073 /nfs/dbraw/zinc/92/70/73/1064927073.db2.gz OQHYFUGLFWHTDD-INMHGKMJSA-N 1 1 458.340 2.770 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C(C)C ZINC001292153156 1064932077 /nfs/dbraw/zinc/93/20/77/1064932077.db2.gz CNSURWQZVKZNSY-SFHVURJKSA-N 1 1 465.643 2.640 20 0 JFADMO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292163743 1064949430 /nfs/dbraw/zinc/94/94/30/1064949430.db2.gz NTZDRIVRGMZORS-RTWAWAEBSA-N 1 1 488.658 2.645 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292173845 1064963149 /nfs/dbraw/zinc/96/31/49/1064963149.db2.gz SZDZBHCVMWZQJY-WDJPJFJCSA-N 1 1 468.646 2.791 20 0 JFADMO CC[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292199774 1064991135 /nfs/dbraw/zinc/99/11/35/1064991135.db2.gz OPZDNQFPGUVWTD-CLOONOSVSA-N 1 1 485.633 2.944 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOC)CC1)Oc1cccc(F)c1 ZINC001292225783 1065012939 /nfs/dbraw/zinc/01/29/39/1065012939.db2.gz PODUVIFZXUTQSW-TZIWHRDSSA-N 1 1 461.582 2.937 20 0 JFADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001292231335 1065017990 /nfs/dbraw/zinc/01/79/90/1065017990.db2.gz UFBRWLUHEIBPAN-QHCPKHFHSA-N 1 1 482.673 2.999 20 0 JFADMO CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292242278 1065024567 /nfs/dbraw/zinc/02/45/67/1065024567.db2.gz TUHIOYWHLIUVRX-MISYRCLQSA-N 1 1 462.639 2.691 20 0 JFADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292243505 1065026543 /nfs/dbraw/zinc/02/65/43/1065026543.db2.gz MSDGVOAYKMICDP-FGZHOGPDSA-N 1 1 499.660 2.726 20 0 JFADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001292243897 1065027121 /nfs/dbraw/zinc/02/71/21/1065027121.db2.gz PZDDTORFXUVNDC-FGZHOGPDSA-N 1 1 499.660 2.868 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292285639 1065059512 /nfs/dbraw/zinc/05/95/12/1065059512.db2.gz JJAMZXYAZFJKFC-RUZDIDTESA-N 1 1 498.716 2.960 20 0 JFADMO CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001292300419 1065071421 /nfs/dbraw/zinc/07/14/21/1065071421.db2.gz NKOAUXWZNKSLAA-LQBOVUBWSA-N 1 1 496.703 2.620 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001292333169 1065089214 /nfs/dbraw/zinc/08/92/14/1065089214.db2.gz VDVXPXVRRBJOFM-DCLXLUIPSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001292344852 1065092834 /nfs/dbraw/zinc/09/28/34/1065092834.db2.gz BNGPUPRRZGFFIC-ZWDAVXSWSA-N 1 1 499.081 2.850 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292352901 1065097306 /nfs/dbraw/zinc/09/73/06/1065097306.db2.gz HCYILSWYDNMRTC-YADARESESA-N 1 1 490.052 2.942 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292355690 1065099767 /nfs/dbraw/zinc/09/97/67/1065099767.db2.gz KTUXFWKAYSJCKB-ATIYNZHBSA-N 1 1 484.645 2.902 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001292378085 1065120893 /nfs/dbraw/zinc/12/08/93/1065120893.db2.gz UYWNYDSAHDVXPJ-MJGOQNOKSA-N 1 1 452.669 2.922 20 0 JFADMO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413977 1065147864 /nfs/dbraw/zinc/14/78/64/1065147864.db2.gz PNRGOSQXHNTZEJ-JAXLGGSGSA-N 1 1 476.666 2.571 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC001292462462 1065192169 /nfs/dbraw/zinc/19/21/69/1065192169.db2.gz TUPULOJERCRVBX-LEWJYISDSA-N 1 1 463.648 2.866 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)n2C[C@H](C)OC)cc1 ZINC001292478169 1065201861 /nfs/dbraw/zinc/20/18/61/1065201861.db2.gz DYCQBKHNABOOSM-SFYKDHMMSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479773 1065204129 /nfs/dbraw/zinc/20/41/29/1065204129.db2.gz UOWAIVUEKAEJDE-AUSIDOKSSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479776 1065204266 /nfs/dbraw/zinc/20/42/66/1065204266.db2.gz UOWAIVUEKAEJDE-XXBNENTESA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484735 1065206476 /nfs/dbraw/zinc/20/64/76/1065206476.db2.gz GLCOERADXDGBHO-CNNODRBYSA-N 1 1 474.675 2.850 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)COC)cc1 ZINC001292512451 1065230262 /nfs/dbraw/zinc/23/02/62/1065230262.db2.gz MFJROWMLQJLCIX-OAQYLSRUSA-N 1 1 468.646 2.925 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)COC)cc1 ZINC001292512451 1065230269 /nfs/dbraw/zinc/23/02/69/1065230269.db2.gz MFJROWMLQJLCIX-OAQYLSRUSA-N 1 1 468.646 2.925 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292512966 1065231582 /nfs/dbraw/zinc/23/15/82/1065231582.db2.gz YSYKFDZLDJOIOG-VXKWHMMOSA-N 1 1 454.619 2.566 20 0 JFADMO O=C(c1c(F)ccc(I)c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001292515687 1065236969 /nfs/dbraw/zinc/23/69/69/1065236969.db2.gz UQJAGDYZAIQPIW-QWHCGFSZSA-N 1 1 452.695 2.755 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)cc1C ZINC001292516443 1065237560 /nfs/dbraw/zinc/23/75/60/1065237560.db2.gz SKDFISNWKACJAQ-XZOQPEGZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CCOc2ncccc2F)cc1 ZINC001292520417 1065244906 /nfs/dbraw/zinc/24/49/06/1065244906.db2.gz IRZMZKUVDDTBBX-UHFFFAOYSA-N 1 1 454.550 2.889 20 0 JFADMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521209 1065247304 /nfs/dbraw/zinc/24/73/04/1065247304.db2.gz DGUAEBSYJNCUNR-WMQCIHAUSA-N 1 1 458.603 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001292525476 1065251129 /nfs/dbraw/zinc/25/11/29/1065251129.db2.gz FPMHZTARVJSDNB-IBGZPJMESA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001292525478 1065251525 /nfs/dbraw/zinc/25/15/25/1065251525.db2.gz FPMHZTARVJSDNB-LJQANCHMSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292534965 1065258108 /nfs/dbraw/zinc/25/81/08/1065258108.db2.gz RCWSVDJFDBKVMY-ZLNRFVROSA-N 1 1 457.619 2.714 20 0 JFADMO CCN1CC[NH+](CCC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC001292555103 1065272142 /nfs/dbraw/zinc/27/21/42/1065272142.db2.gz RQIFKKTWSVJBRZ-UHFFFAOYSA-N 1 1 451.409 2.654 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292570735 1065282411 /nfs/dbraw/zinc/28/24/11/1065282411.db2.gz RIKQCYZGBSVJJI-HXUWFJFHSA-N 1 1 467.618 2.636 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292579392 1065294322 /nfs/dbraw/zinc/29/43/22/1065294322.db2.gz UQQIPUPEUXECFV-RBBKRZOGSA-N 1 1 484.645 2.920 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292579692 1065295363 /nfs/dbraw/zinc/29/53/63/1065295363.db2.gz XURACDLEMRKOBH-IRLDBZIGSA-N 1 1 484.645 2.778 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292580772 1065297423 /nfs/dbraw/zinc/29/74/23/1065297423.db2.gz QIJIAHZFVQWYCD-VQTJNVASSA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292589228 1065305259 /nfs/dbraw/zinc/30/52/59/1065305259.db2.gz JMFPVPAJJXEZAO-IRLDBZIGSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292589228 1065305269 /nfs/dbraw/zinc/30/52/69/1065305269.db2.gz JMFPVPAJJXEZAO-IRLDBZIGSA-N 1 1 487.645 2.770 20 0 JFADMO Cc1cnn(-c2cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)cc3)c(N)cc2F)c1 ZINC001292589869 1065306417 /nfs/dbraw/zinc/30/64/17/1065306417.db2.gz HKFGAFXUEJQXOF-QGZVFWFLSA-N 1 1 450.518 2.852 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590801 1065308450 /nfs/dbraw/zinc/30/84/50/1065308450.db2.gz VXMGZXDVRATRON-QUCCMNQESA-N 1 1 454.619 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCn1cc[nH+]c1C ZINC001292604102 1065328396 /nfs/dbraw/zinc/32/83/96/1065328396.db2.gz QPOIOAOMTQVTKN-LJQANCHMSA-N 1 1 451.575 2.716 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292604433 1065328900 /nfs/dbraw/zinc/32/89/00/1065328900.db2.gz UUKIPRHTACOOGM-VQTJNVASSA-N 1 1 454.619 2.853 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292610828 1065339578 /nfs/dbraw/zinc/33/95/78/1065339578.db2.gz VLLPKYUCOSKWQV-BGYRXZFFSA-N 1 1 484.645 2.586 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC001292635087 1065372913 /nfs/dbraw/zinc/37/29/13/1065372913.db2.gz HEZOBBMVFFZDCZ-NRFANRHFSA-N 1 1 454.571 2.920 20 0 JFADMO CCc1cnc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001292660302 1065395955 /nfs/dbraw/zinc/39/59/55/1065395955.db2.gz OAIRVAWMOSKYCY-KDURUIRLSA-N 1 1 472.663 2.752 20 0 JFADMO CCc1cnc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001292660302 1065395961 /nfs/dbraw/zinc/39/59/61/1065395961.db2.gz OAIRVAWMOSKYCY-KDURUIRLSA-N 1 1 472.663 2.752 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC001292660460 1065396523 /nfs/dbraw/zinc/39/65/23/1065396523.db2.gz LUWHUWHICIXQNB-CALCHBBNSA-N 1 1 455.384 2.851 20 0 JFADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)no1 ZINC001292696569 1065447178 /nfs/dbraw/zinc/44/71/78/1065447178.db2.gz SJDSZNUDMOPBTL-RBUKOAKNSA-N 1 1 472.638 2.695 20 0 JFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)c1)C1CCOCC1 ZINC001292706704 1065461694 /nfs/dbraw/zinc/46/16/94/1065461694.db2.gz RUFNPHIPUCBJCO-QHCPKHFHSA-N 1 1 455.555 2.577 20 0 JFADMO CCc1nc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC001292735081 1065496707 /nfs/dbraw/zinc/49/67/07/1065496707.db2.gz YMPVASWWCMLKRF-HSZRJFAPSA-N 1 1 456.616 2.887 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001292755957 1065511550 /nfs/dbraw/zinc/51/15/50/1065511550.db2.gz FSKKGSZAPLPLRM-UHFFFAOYSA-N 1 1 484.693 2.977 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c([C@H]2CCCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292761841 1065518183 /nfs/dbraw/zinc/51/81/83/1065518183.db2.gz DBFIYFVNXUYZOM-JOCHJYFZSA-N 1 1 473.666 2.973 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c([C@H]2CCCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292761841 1065518190 /nfs/dbraw/zinc/51/81/90/1065518190.db2.gz DBFIYFVNXUYZOM-JOCHJYFZSA-N 1 1 473.666 2.973 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001292773352 1065531373 /nfs/dbraw/zinc/53/13/73/1065531373.db2.gz HQPIPKYCJHEUIK-UHFFFAOYSA-N 1 1 488.681 2.860 20 0 JFADMO CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)s1 ZINC001292790612 1065552298 /nfs/dbraw/zinc/55/22/98/1065552298.db2.gz LUPYSOQYUBVUCX-QGZVFWFLSA-N 1 1 471.631 2.963 20 0 JFADMO CCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292815624 1065565299 /nfs/dbraw/zinc/56/52/99/1065565299.db2.gz CDZOVHZCXXPWIF-UHFFFAOYSA-N 1 1 455.651 2.806 20 0 JFADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCCn1cc(Br)cn1 ZINC001292819473 1065566694 /nfs/dbraw/zinc/56/66/94/1065566694.db2.gz ISIFVJFCRKGIPT-UHFFFAOYSA-N 1 1 468.444 2.684 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892389 1065589697 /nfs/dbraw/zinc/58/96/97/1065589697.db2.gz CTKSBHYUTTZFJP-IRLDBZIGSA-N 1 1 454.619 2.607 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892894 1065591809 /nfs/dbraw/zinc/59/18/09/1065591809.db2.gz IRDKDPFEJXNHBG-IHPCNDPISA-N 1 1 450.697 2.997 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001292893186 1065592392 /nfs/dbraw/zinc/59/23/92/1065592392.db2.gz LULHIZPFCHAJQP-OXQOHEQNSA-N 1 1 461.010 2.540 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893460 1065594717 /nfs/dbraw/zinc/59/47/17/1065594717.db2.gz ORWJHAUWWGLUMQ-IFMALSPDSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1cc(C)ccc1OC(F)F ZINC001292893855 1065595548 /nfs/dbraw/zinc/59/55/48/1065595548.db2.gz SICSLPIMKRBKHU-FXAWDEMLSA-N 1 1 476.572 2.787 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001292899258 1065597335 /nfs/dbraw/zinc/59/73/35/1065597335.db2.gz MFINECQTBRLJMO-HKUYNNGSSA-N 1 1 458.573 2.662 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900023 1065598092 /nfs/dbraw/zinc/59/80/92/1065598092.db2.gz RJVOQFNCGKKVGI-SJLPKXTDSA-N 1 1 468.524 2.576 20 0 JFADMO CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292914978 1065604394 /nfs/dbraw/zinc/60/43/94/1065604394.db2.gz AUKNDPXTVUWTTC-QFIPXVFZSA-N 1 1 452.603 2.783 20 0 JFADMO CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292920881 1065606620 /nfs/dbraw/zinc/60/66/20/1065606620.db2.gz QKQATHSLNYRVMV-XPTLAUCJSA-N 1 1 456.631 2.574 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCOc3ccc(C(N)=O)cc3)CC2)c1C ZINC001292931902 1065621744 /nfs/dbraw/zinc/62/17/44/1065621744.db2.gz ANHVOYWGPNUROH-UHFFFAOYSA-N 1 1 454.571 2.698 20 0 JFADMO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292932997 1065622730 /nfs/dbraw/zinc/62/27/30/1065622730.db2.gz NSXBZNQFAMODST-IBGZPJMESA-N 1 1 464.655 2.961 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292951067 1065630781 /nfs/dbraw/zinc/63/07/81/1065630781.db2.gz NQWIMPCSKIBZDY-UHFFFAOYSA-N 1 1 459.683 2.532 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292951067 1065630785 /nfs/dbraw/zinc/63/07/85/1065630785.db2.gz NQWIMPCSKIBZDY-UHFFFAOYSA-N 1 1 459.683 2.532 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292951067 1065630789 /nfs/dbraw/zinc/63/07/89/1065630789.db2.gz NQWIMPCSKIBZDY-UHFFFAOYSA-N 1 1 459.683 2.532 20 0 JFADMO CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292952520 1065632930 /nfs/dbraw/zinc/63/29/30/1065632930.db2.gz HYFJSKYCEFTISV-JOCHJYFZSA-N 1 1 462.683 2.670 20 0 JFADMO CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292952520 1065632948 /nfs/dbraw/zinc/63/29/48/1065632948.db2.gz HYFJSKYCEFTISV-JOCHJYFZSA-N 1 1 462.683 2.670 20 0 JFADMO C[C@@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)CN1CC[NH+](C)CC1 ZINC001292957485 1065634510 /nfs/dbraw/zinc/63/45/10/1065634510.db2.gz ACQPDBBRUHFLHS-LBPRGKRZSA-N 1 1 455.784 2.557 20 0 JFADMO CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292960803 1065640451 /nfs/dbraw/zinc/64/04/51/1065640451.db2.gz KASSAGSHXFRJSF-GOSISDBHSA-N 1 1 465.545 2.852 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968341 1065647278 /nfs/dbraw/zinc/64/72/78/1065647278.db2.gz NZEKYBPECHSBQY-HSZRJFAPSA-N 1 1 453.587 2.722 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968341 1065647286 /nfs/dbraw/zinc/64/72/86/1065647286.db2.gz NZEKYBPECHSBQY-HSZRJFAPSA-N 1 1 453.587 2.722 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968341 1065647293 /nfs/dbraw/zinc/64/72/93/1065647293.db2.gz NZEKYBPECHSBQY-HSZRJFAPSA-N 1 1 453.587 2.722 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292979669 1065662132 /nfs/dbraw/zinc/66/21/32/1065662132.db2.gz GDQZWBICBUQTJH-QFIPXVFZSA-N 1 1 469.634 2.868 20 0 JFADMO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292986117 1065670231 /nfs/dbraw/zinc/67/02/31/1065670231.db2.gz BDMUMFDBPPIJTM-SFHVURJKSA-N 1 1 463.573 2.964 20 0 JFADMO CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292986650 1065672350 /nfs/dbraw/zinc/67/23/50/1065672350.db2.gz NJKGYDACUSFHNO-NTKDMRAZSA-N 1 1 450.624 2.617 20 0 JFADMO CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292986650 1065672354 /nfs/dbraw/zinc/67/23/54/1065672354.db2.gz NJKGYDACUSFHNO-NTKDMRAZSA-N 1 1 450.624 2.617 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292987735 1065673960 /nfs/dbraw/zinc/67/39/60/1065673960.db2.gz SCFQAAKQMBXJQN-CTNGQTDRSA-N 1 1 474.675 2.659 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031606 1065701442 /nfs/dbraw/zinc/70/14/42/1065701442.db2.gz DHEYZEBDKQLEMZ-GMAHTHKFSA-N 1 1 451.615 2.811 20 0 JFADMO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293032941 1065702007 /nfs/dbraw/zinc/70/20/07/1065702007.db2.gz GIBDLDFTQDQQGW-VXKWHMMOSA-N 1 1 468.646 2.988 20 0 JFADMO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293032943 1065702075 /nfs/dbraw/zinc/70/20/75/1065702075.db2.gz GIBDLDFTQDQQGW-YADHBBJMSA-N 1 1 468.646 2.988 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001293068483 1065720474 /nfs/dbraw/zinc/72/04/74/1065720474.db2.gz QWWFKIRNBLBXTL-QFIPXVFZSA-N 1 1 460.667 2.696 20 0 JFADMO C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)[C@@H]1CCSC1 ZINC001293074760 1065726693 /nfs/dbraw/zinc/72/66/93/1065726693.db2.gz OTDMAUIDIXPOMS-DHIUTWEWSA-N 1 1 455.599 2.875 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293093736 1065742590 /nfs/dbraw/zinc/74/25/90/1065742590.db2.gz IXLNUMQSLRGZNJ-RBBKRZOGSA-N 1 1 456.635 2.579 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001293094686 1065743802 /nfs/dbraw/zinc/74/38/02/1065743802.db2.gz NSFUMFYNQDPSNY-NHCUHLMSSA-N 1 1 459.683 2.674 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293094702 1065744248 /nfs/dbraw/zinc/74/42/48/1065744248.db2.gz NWSYPSURTGUKND-YADHBBJMSA-N 1 1 473.710 2.922 20 0 JFADMO CCOCC[NH+]1CCN(C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001293099971 1065749498 /nfs/dbraw/zinc/74/94/98/1065749498.db2.gz UBFJLYVLILNDLC-UHFFFAOYSA-N 1 1 459.612 2.761 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293117047 1065763908 /nfs/dbraw/zinc/76/39/08/1065763908.db2.gz URTDAFOLEVWKCE-CYBMUJFWSA-N 1 1 475.947 2.984 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccnc1OCC(F)(F)F ZINC001293117259 1065764657 /nfs/dbraw/zinc/76/46/57/1065764657.db2.gz ZMZRUGRJRONJFB-INIZCTEOSA-N 1 1 468.524 2.914 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001293129290 1065779950 /nfs/dbraw/zinc/77/99/50/1065779950.db2.gz VMCVQKPEGJNNAN-UHFFFAOYSA-N 1 1 454.600 2.750 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130610 1065781506 /nfs/dbraw/zinc/78/15/06/1065781506.db2.gz IRKCKHQBCOJGPT-FQEVSTJZSA-N 1 1 491.478 2.883 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130612 1065781633 /nfs/dbraw/zinc/78/16/33/1065781633.db2.gz IRKCKHQBCOJGPT-HXUWFJFHSA-N 1 1 491.478 2.883 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293131342 1065783085 /nfs/dbraw/zinc/78/30/85/1065783085.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131342 1065783096 /nfs/dbraw/zinc/78/30/96/1065783096.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131348 1065783306 /nfs/dbraw/zinc/78/33/06/1065783306.db2.gz OLQRCLNELUKUNK-NRFANRHFSA-N 1 1 461.054 2.968 20 0 JFADMO CCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@@H+](C)CCOC ZINC001293177247 1065802363 /nfs/dbraw/zinc/80/23/63/1065802363.db2.gz GFIZQGVEHAWPSV-OALUTQOASA-N 1 1 450.628 2.645 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185513 1065810303 /nfs/dbraw/zinc/81/03/03/1065810303.db2.gz SWMNSQDTVMCUAL-OALUTQOASA-N 1 1 452.607 2.936 20 0 JFADMO CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206920 1065833253 /nfs/dbraw/zinc/83/32/53/1065833253.db2.gz OOWSJMOGXUAVDG-VGSWGCGISA-N 1 1 471.650 2.862 20 0 JFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210316 1065845869 /nfs/dbraw/zinc/84/58/69/1065845869.db2.gz BHXQKCOJUMCHMD-OXQOHEQNSA-N 1 1 453.414 2.883 20 0 JFADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210316 1065845883 /nfs/dbraw/zinc/84/58/83/1065845883.db2.gz BHXQKCOJUMCHMD-OXQOHEQNSA-N 1 1 453.414 2.883 20 0 JFADMO CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC001293216362 1065854904 /nfs/dbraw/zinc/85/49/04/1065854904.db2.gz ZHBBITWSLPAYHK-NRFANRHFSA-N 1 1 458.603 2.647 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293219519 1065865536 /nfs/dbraw/zinc/86/55/36/1065865536.db2.gz UZCIVPPTMGWJAB-WIYYLYMNSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001293219361 1065866134 /nfs/dbraw/zinc/86/61/34/1065866134.db2.gz RFRJEIAYPAPQAP-HMXCVIKNSA-N 1 1 462.639 2.514 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293220120 1065869407 /nfs/dbraw/zinc/86/94/07/1065869407.db2.gz QUQLHMFGJSUKJD-NQIIRXRSSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293220118 1065869443 /nfs/dbraw/zinc/86/94/43/1065869443.db2.gz QUQLHMFGJSUKJD-GHTZIAJQSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293228239 1065882116 /nfs/dbraw/zinc/88/21/16/1065882116.db2.gz MBPRERKGZJFAQS-NZQKXSOJSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293228246 1065882199 /nfs/dbraw/zinc/88/21/99/1065882199.db2.gz MBPRERKGZJFAQS-REWPJTCUSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293241689 1065901383 /nfs/dbraw/zinc/90/13/83/1065901383.db2.gz DSGKQEJVMPJSTM-JTHBVZDNSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293244063 1065907771 /nfs/dbraw/zinc/90/77/71/1065907771.db2.gz VIILAMVNJJREQF-GGAORHGYSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293253034 1065917231 /nfs/dbraw/zinc/91/72/31/1065917231.db2.gz SYQKSKMQUGIAGZ-SFTDATJTSA-N 1 1 468.650 2.968 20 0 JFADMO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293253312 1065917749 /nfs/dbraw/zinc/91/77/49/1065917749.db2.gz LAEAVWKOBTYQKI-SFHVURJKSA-N 1 1 451.409 2.873 20 0 JFADMO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293253312 1065917751 /nfs/dbraw/zinc/91/77/51/1065917751.db2.gz LAEAVWKOBTYQKI-SFHVURJKSA-N 1 1 451.409 2.873 20 0 JFADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001293280769 1065931914 /nfs/dbraw/zinc/93/19/14/1065931914.db2.gz FJPJTDVUVTWSAJ-CQSZACIVSA-N 1 1 450.299 2.604 20 0 JFADMO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293301257 1065941866 /nfs/dbraw/zinc/94/18/66/1065941866.db2.gz JNYVZFUHCZBNTR-CTNGQTDRSA-N 1 1 488.702 2.999 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293316119 1065946140 /nfs/dbraw/zinc/94/61/40/1065946140.db2.gz OBHNAICQUIPZFU-KSEOMHKRSA-N 1 1 453.635 2.831 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC001293325843 1065950238 /nfs/dbraw/zinc/95/02/38/1065950238.db2.gz ZSWJYSXQUVTGKV-OAQYLSRUSA-N 1 1 456.612 2.747 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293329589 1065951357 /nfs/dbraw/zinc/95/13/57/1065951357.db2.gz IGCQRBKACODTKG-TWGBQZSLSA-N 1 1 476.666 2.570 20 0 JFADMO CC[C@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293330879 1065951865 /nfs/dbraw/zinc/95/18/65/1065951865.db2.gz FWVRMQOYNJWTLN-OALUTQOASA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293330879 1065951877 /nfs/dbraw/zinc/95/18/77/1065951877.db2.gz FWVRMQOYNJWTLN-OALUTQOASA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293330879 1065951885 /nfs/dbraw/zinc/95/18/85/1065951885.db2.gz FWVRMQOYNJWTLN-OALUTQOASA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+](C)C1CCCC1 ZINC001293334466 1065953423 /nfs/dbraw/zinc/95/34/23/1065953423.db2.gz ZYVAJILTDIAMOP-ZWKOTPCHSA-N 1 1 452.669 2.922 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)[nH+]1 ZINC001293342469 1065956852 /nfs/dbraw/zinc/95/68/52/1065956852.db2.gz STJFDMRWOZEMCM-OALUTQOASA-N 1 1 459.591 2.556 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C ZINC001293357925 1065963427 /nfs/dbraw/zinc/96/34/27/1065963427.db2.gz BPWKQUBRYHGYFT-FQEVSTJZSA-N 1 1 465.606 2.868 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361465 1065965705 /nfs/dbraw/zinc/96/57/05/1065965705.db2.gz AIVGBUWAIKTMLP-IWQHBPENSA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O ZINC001293364438 1065969281 /nfs/dbraw/zinc/96/92/81/1065969281.db2.gz NOXKZIMHFLSXDG-IBGZPJMESA-N 1 1 469.055 2.848 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293364646 1065969392 /nfs/dbraw/zinc/96/93/92/1065969392.db2.gz GQXNNRQMHXPTPT-RBUKOAKNSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001293364432 1065969434 /nfs/dbraw/zinc/96/94/34/1065969434.db2.gz NNDHQBMRBHWVBB-CEXWTWQISA-N 1 1 464.636 2.740 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001293365206 1065970151 /nfs/dbraw/zinc/97/01/51/1065970151.db2.gz SBTZZQOHDZEKEQ-PMACEKPBSA-N 1 1 461.010 2.814 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293365708 1065970964 /nfs/dbraw/zinc/97/09/64/1065970964.db2.gz VZAZNLRFFZENNW-DLBZAZTESA-N 1 1 499.479 2.924 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001293366649 1065972201 /nfs/dbraw/zinc/97/22/01/1065972201.db2.gz XTONYMVKNMEVLH-FCHUYYIVSA-N 1 1 454.619 2.859 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001293369252 1065972507 /nfs/dbraw/zinc/97/25/07/1065972507.db2.gz CJDMFJNKBSETIJ-KZNAEPCWSA-N 1 1 472.556 2.551 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369280 1065972536 /nfs/dbraw/zinc/97/25/36/1065972536.db2.gz CXVOWFSWVCCMMW-UXHICEINSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369486 1065973069 /nfs/dbraw/zinc/97/30/69/1065973069.db2.gz GWLHZTYVINKLQO-AQNXPRMDSA-N 1 1 489.665 2.939 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001293369511 1065973096 /nfs/dbraw/zinc/97/30/96/1065973096.db2.gz HJJBNNMJZBJUGC-AMFYMDPBSA-N 1 1 472.659 2.868 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001293371004 1065974120 /nfs/dbraw/zinc/97/41/20/1065974120.db2.gz DSUMSYRTZGTLDU-PMACEKPBSA-N 1 1 480.704 2.912 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372251 1065975366 /nfs/dbraw/zinc/97/53/66/1065975366.db2.gz JCFCGPHTONSTMW-RTWAWAEBSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372551 1065975805 /nfs/dbraw/zinc/97/58/05/1065975805.db2.gz OPQCZWAMJROECV-NJYVYQBISA-N 1 1 492.665 2.776 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372556 1065975826 /nfs/dbraw/zinc/97/58/26/1065975826.db2.gz OPQCZWAMJROECV-PWRODBHTSA-N 1 1 492.665 2.776 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373000 1065976321 /nfs/dbraw/zinc/97/63/21/1065976321.db2.gz LVXFWGTXQJGTPA-SFTDATJTSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001293373423 1065977514 /nfs/dbraw/zinc/97/75/14/1065977514.db2.gz PZLULYLXQBKZSH-QUCCMNQESA-N 1 1 452.669 2.528 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373784 1065977990 /nfs/dbraw/zinc/97/79/90/1065977990.db2.gz RKANLRRARAQROT-ZWKOTPCHSA-N 1 1 471.572 2.568 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373576 1065978260 /nfs/dbraw/zinc/97/82/60/1065978260.db2.gz QDHVFAFUNVMAIC-SFTDATJTSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293374255 1065980249 /nfs/dbraw/zinc/98/02/49/1065980249.db2.gz VKVJMSHHMTUBFV-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374514 1065980306 /nfs/dbraw/zinc/98/03/06/1065980306.db2.gz VSFLUWHHCXMQMX-YPAWHYETSA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001293378571 1065982532 /nfs/dbraw/zinc/98/25/32/1065982532.db2.gz TYGGRCIIDFNEBG-PMACEKPBSA-N 1 1 455.607 2.789 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293379862 1065984477 /nfs/dbraw/zinc/98/44/77/1065984477.db2.gz VBFLACCMIASPMA-GJZUVCINSA-N 1 1 490.693 2.936 20 0 JFADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001293420343 1066002240 /nfs/dbraw/zinc/00/22/40/1066002240.db2.gz RSGCKLBHOBKIGE-ZIAGYGMSSA-N 1 1 458.422 2.779 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cc(S(C)(=O)=O)ncc3Cl)CC2)cs1 ZINC001293447766 1066009738 /nfs/dbraw/zinc/00/97/38/1066009738.db2.gz COEUBQRUKZXRMA-UHFFFAOYSA-N 1 1 457.021 2.799 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(S(=O)(=O)CC)cc3N)CC2)cs1 ZINC001293447798 1066009773 /nfs/dbraw/zinc/00/97/73/1066009773.db2.gz DCVLHVLNKGNTJU-UHFFFAOYSA-N 1 1 450.630 2.723 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)cs1 ZINC001293449452 1066010367 /nfs/dbraw/zinc/01/03/67/1066010367.db2.gz PKWLNDCWNODTMU-UHFFFAOYSA-N 1 1 455.584 2.506 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001293457087 1066013689 /nfs/dbraw/zinc/01/36/89/1066013689.db2.gz SHRCZJWQDJOXJV-SGIRGMQISA-N 1 1 462.683 2.829 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC[N@H+]1CCOC ZINC001293507149 1066031111 /nfs/dbraw/zinc/03/11/11/1066031111.db2.gz IARFPSBEVRMLOI-NRFANRHFSA-N 1 1 465.602 2.560 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC001293507070 1066031164 /nfs/dbraw/zinc/03/11/64/1066031164.db2.gz RIJGHGDHTLHHKS-IBGZPJMESA-N 1 1 479.000 2.902 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1CCOC ZINC001293509939 1066034823 /nfs/dbraw/zinc/03/48/23/1066034823.db2.gz KZIAISBENGSLDN-BDTNDASRSA-N 1 1 454.619 2.767 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1CCOC ZINC001293510275 1066035444 /nfs/dbraw/zinc/03/54/44/1066035444.db2.gz QPTZYABPLCFPKM-FQEVSTJZSA-N 1 1 487.649 2.584 20 0 JFADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001293510882 1066036776 /nfs/dbraw/zinc/03/67/76/1066036776.db2.gz UMLUGJVPNSCHEI-VXKWHMMOSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC001293511363 1066037030 /nfs/dbraw/zinc/03/70/30/1066037030.db2.gz VUNBYIHAQXBXNV-DENIHFKCSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CC)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293511745 1066037842 /nfs/dbraw/zinc/03/78/42/1066037842.db2.gz XZLLWNCYPCAGPY-AQNXPRMDSA-N 1 1 491.681 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CC)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293511747 1066038231 /nfs/dbraw/zinc/03/82/31/1066038231.db2.gz XZLLWNCYPCAGPY-XUVXKRRUSA-N 1 1 491.681 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293516399 1066039932 /nfs/dbraw/zinc/03/99/32/1066039932.db2.gz AKXYYWXWFQZSNY-SJLPKXTDSA-N 1 1 480.455 2.782 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCN1CCOC ZINC001293520552 1066042197 /nfs/dbraw/zinc/04/21/97/1066042197.db2.gz XXZHWBVQCVWPJV-HSZRJFAPSA-N 1 1 498.720 2.708 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293524070 1066045428 /nfs/dbraw/zinc/04/54/28/1066045428.db2.gz KRVIPQRSEXHCOS-DRMXPCRNSA-N 1 1 493.649 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC(F)(F)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293529307 1066048687 /nfs/dbraw/zinc/04/86/87/1066048687.db2.gz IGZSSYMJJHVXKZ-HAGHYFMRSA-N 1 1 471.593 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001293531084 1066050902 /nfs/dbraw/zinc/05/09/02/1066050902.db2.gz KENUBWZSNZPEFQ-UGKGYDQZSA-N 1 1 471.593 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@@H+](CC)C(C)C)CCO1 ZINC001293531108 1066050964 /nfs/dbraw/zinc/05/09/64/1066050964.db2.gz KLDAEXLTNSLNOH-LJQANCHMSA-N 1 1 477.679 2.892 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001293531126 1066051093 /nfs/dbraw/zinc/05/10/93/1066051093.db2.gz KQSQIUXPXWCHOR-HYBUGGRVSA-N 1 1 480.723 2.677 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001293537717 1066054984 /nfs/dbraw/zinc/05/49/84/1066054984.db2.gz RJDRUGGQARFJPD-IBGZPJMESA-N 1 1 453.591 2.653 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539689 1066058240 /nfs/dbraw/zinc/05/82/40/1066058240.db2.gz LFEFKDVGPJLYCR-CTNGQTDRSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539689 1066058254 /nfs/dbraw/zinc/05/82/54/1066058254.db2.gz LFEFKDVGPJLYCR-CTNGQTDRSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539689 1066058261 /nfs/dbraw/zinc/05/82/61/1066058261.db2.gz LFEFKDVGPJLYCR-CTNGQTDRSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001293542254 1066062327 /nfs/dbraw/zinc/06/23/27/1066062327.db2.gz ZFYKBZVVKWODAH-TZIWHRDSSA-N 1 1 492.690 2.929 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001293542248 1066062399 /nfs/dbraw/zinc/06/23/99/1066062399.db2.gz ZFYKBZVVKWODAH-FPOVZHCZSA-N 1 1 492.690 2.929 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)[nH]1 ZINC001293543957 1066063614 /nfs/dbraw/zinc/06/36/14/1066063614.db2.gz ZZUGOAGUTGKJEV-RTBURBONSA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)[nH]1 ZINC001293543957 1066063626 /nfs/dbraw/zinc/06/36/26/1066063626.db2.gz ZZUGOAGUTGKJEV-RTBURBONSA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)[nH]1 ZINC001293543953 1066063718 /nfs/dbraw/zinc/06/37/18/1066063718.db2.gz ZZUGOAGUTGKJEV-MOPGFXCFSA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)[nH]1 ZINC001293543953 1066063731 /nfs/dbraw/zinc/06/37/31/1066063731.db2.gz ZZUGOAGUTGKJEV-MOPGFXCFSA-N 1 1 454.571 2.608 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001293549778 1066066101 /nfs/dbraw/zinc/06/61/01/1066066101.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 1 1 460.623 2.504 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293554858 1066069007 /nfs/dbraw/zinc/06/90/07/1066069007.db2.gz VQYXORPHBBFHRW-HTAPYJJXSA-N 1 1 484.428 2.950 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](CC)C1 ZINC001293555113 1066069352 /nfs/dbraw/zinc/06/93/52/1066069352.db2.gz IRYQISWKEFWGCC-XLIONFOSSA-N 1 1 455.636 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293556053 1066070262 /nfs/dbraw/zinc/07/02/62/1066070262.db2.gz GGAXXHGGEMZQCN-DENIHFKCSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293559480 1066073854 /nfs/dbraw/zinc/07/38/54/1066073854.db2.gz YJGQLCIFNBLKEB-IEBWSBKVSA-N 1 1 495.571 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293559482 1066074108 /nfs/dbraw/zinc/07/41/08/1066074108.db2.gz YJGQLCIFNBLKEB-PKOBYXMFSA-N 1 1 495.571 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293560121 1066074812 /nfs/dbraw/zinc/07/48/12/1066074812.db2.gz IGMZBACMOHXXRN-FYYLOGMGSA-N 1 1 454.619 2.751 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293560123 1066074848 /nfs/dbraw/zinc/07/48/48/1066074848.db2.gz IGMZBACMOHXXRN-GMAHTHKFSA-N 1 1 454.619 2.751 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293562807 1066076373 /nfs/dbraw/zinc/07/63/73/1066076373.db2.gz VSPQJGJPDNSLJT-RBBKRZOGSA-N 1 1 454.619 2.654 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293566437 1066079695 /nfs/dbraw/zinc/07/96/95/1066079695.db2.gz FGVIAVCSOVMOFD-ROUUACIJSA-N 1 1 465.545 2.925 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2OC)CC[N@H+]1CCOC ZINC001293569154 1066081864 /nfs/dbraw/zinc/08/18/64/1066081864.db2.gz UYKJGJMAOMUBNP-HXUWFJFHSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2OC)CC[N@H+]1CCOC ZINC001293569330 1066081944 /nfs/dbraw/zinc/08/19/44/1066081944.db2.gz WFCFXTSXVUKTBY-FQEVSTJZSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC[N@H+]1CCOC ZINC001293571072 1066083028 /nfs/dbraw/zinc/08/30/28/1066083028.db2.gz JVVDKWXKNYGFII-GRMGDBHTSA-N 1 1 482.654 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)cc2OC)CC[N@H+]1CCOC ZINC001293571787 1066083817 /nfs/dbraw/zinc/08/38/17/1066083817.db2.gz OGWCEBQMAQGKHS-LJQANCHMSA-N 1 1 454.575 2.886 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293572221 1066084086 /nfs/dbraw/zinc/08/40/86/1066084086.db2.gz RIECKVOHQHWDOB-WIOPSUGQSA-N 1 1 468.577 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293574156 1066085229 /nfs/dbraw/zinc/08/52/29/1066085229.db2.gz ZTESGBIOAJTSSA-QZTJIDSGSA-N 1 1 450.678 2.679 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001293576523 1066086790 /nfs/dbraw/zinc/08/67/90/1066086790.db2.gz ALACXAOIBHOPGU-CEXWTWQISA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293577578 1066087731 /nfs/dbraw/zinc/08/77/31/1066087731.db2.gz FVDIXOMDLFSEFT-GOHWNWGWSA-N 1 1 499.660 2.845 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC[N@H+]1CCOC ZINC001293582219 1066091886 /nfs/dbraw/zinc/09/18/86/1066091886.db2.gz IECXLOKFCAKJPF-TZIWHRDSSA-N 1 1 462.639 2.516 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293588000 1066096272 /nfs/dbraw/zinc/09/62/72/1066096272.db2.gz SLSJXCAKJPLBLW-MVOHMCPASA-N 1 1 492.665 2.716 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293592122 1066098390 /nfs/dbraw/zinc/09/83/90/1066098390.db2.gz AZUMYQSKKJICQB-SQNIBIBYSA-N 1 1 493.546 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(COC)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293596825 1066108587 /nfs/dbraw/zinc/10/85/87/1066108587.db2.gz GNZLKSUZOYVFCL-RTWAWAEBSA-N 1 1 463.667 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293597431 1066109472 /nfs/dbraw/zinc/10/94/72/1066109472.db2.gz SXBPGNKOQYMGMP-GOTSBHOMSA-N 1 1 484.645 2.805 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293598632 1066112419 /nfs/dbraw/zinc/11/24/19/1066112419.db2.gz WXUZCNOUACXNKK-BKSPAHHJSA-N 1 1 475.634 2.837 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293598956 1066112710 /nfs/dbraw/zinc/11/27/10/1066112710.db2.gz YKHSUCAFUWNRNP-AABGKKOBSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC[N@H+]1CCOC ZINC001293602512 1066118939 /nfs/dbraw/zinc/11/89/39/1066118939.db2.gz XNPUWQCUJKXBAN-RXVVDRJESA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293603099 1066119538 /nfs/dbraw/zinc/11/95/38/1066119538.db2.gz SYTHXBLARHDXDZ-KAOXLYBCSA-N 1 1 476.710 2.913 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@H]1[NH+]1CCOCC1 ZINC001293608555 1066124182 /nfs/dbraw/zinc/12/41/82/1066124182.db2.gz MYSNMGJQLGGWMU-PGRDOPGGSA-N 1 1 463.573 2.857 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293609107 1066124774 /nfs/dbraw/zinc/12/47/74/1066124774.db2.gz PVWCOBWUGFJJEZ-QGZVFWFLSA-N 1 1 451.562 2.855 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293610483 1066125713 /nfs/dbraw/zinc/12/57/13/1066125713.db2.gz DCSGBTBPCXZFQV-YADHBBJMSA-N 1 1 478.037 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293610477 1066125727 /nfs/dbraw/zinc/12/57/27/1066125727.db2.gz DCSGBTBPCXZFQV-FCHUYYIVSA-N 1 1 478.037 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293610481 1066125767 /nfs/dbraw/zinc/12/57/67/1066125767.db2.gz DCSGBTBPCXZFQV-VXKWHMMOSA-N 1 1 478.037 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001293610843 1066126555 /nfs/dbraw/zinc/12/65/55/1066126555.db2.gz VZHVRDIJDNDMQV-FQEVSTJZSA-N 1 1 477.053 2.842 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293613442 1066130490 /nfs/dbraw/zinc/13/04/90/1066130490.db2.gz RXTMZLMIPYNXKF-ISKFKSNPSA-N 1 1 486.636 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293616659 1066132846 /nfs/dbraw/zinc/13/28/46/1066132846.db2.gz LXJWCMFDEOQTEJ-BHIFYINESA-N 1 1 456.635 2.872 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001293618422 1066134966 /nfs/dbraw/zinc/13/49/66/1066134966.db2.gz WRIQJVXRKJWTMI-QFIPXVFZSA-N 1 1 450.587 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001293618855 1066135495 /nfs/dbraw/zinc/13/54/95/1066135495.db2.gz ZMXNIXBZUMQJQN-NRFANRHFSA-N 1 1 474.675 2.723 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293621198 1066137781 /nfs/dbraw/zinc/13/77/81/1066137781.db2.gz BPDFKGSGOLDKLA-IBGZPJMESA-N 1 1 462.664 2.640 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001293622346 1066138705 /nfs/dbraw/zinc/13/87/05/1066138705.db2.gz NLRMCJJYYQJXAK-NRFANRHFSA-N 1 1 484.674 2.690 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293623211 1066139563 /nfs/dbraw/zinc/13/95/63/1066139563.db2.gz NZVKCMOKQPJYMT-RTBURBONSA-N 1 1 498.619 2.938 20 0 JFADMO CC[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293625101 1066140550 /nfs/dbraw/zinc/14/05/50/1066140550.db2.gz ACBMPBZKFYRIAH-XZOQPEGZSA-N 1 1 482.673 2.773 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCN1CCOC ZINC001293635128 1066150771 /nfs/dbraw/zinc/15/07/71/1066150771.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCN1CCOC ZINC001293635128 1066150776 /nfs/dbraw/zinc/15/07/76/1066150776.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293636557 1066154335 /nfs/dbraw/zinc/15/43/35/1066154335.db2.gz DGZUVNSXWRIQLQ-GBXCKJPGSA-N 1 1 475.659 2.581 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293636744 1066154609 /nfs/dbraw/zinc/15/46/09/1066154609.db2.gz WDOHEHTWXNFMTO-RTBURBONSA-N 1 1 492.715 2.958 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293643620 1066158918 /nfs/dbraw/zinc/15/89/18/1066158918.db2.gz GADVAFZYDAUNCH-UXHICEINSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293643795 1066159105 /nfs/dbraw/zinc/15/91/05/1066159105.db2.gz HIBWPWGERZNEPI-RTWAWAEBSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293644376 1066159584 /nfs/dbraw/zinc/15/95/84/1066159584.db2.gz MBAZRONDILTIFU-FPOVZHCZSA-N 1 1 472.659 2.514 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293646957 1066161850 /nfs/dbraw/zinc/16/18/50/1066161850.db2.gz ALPYUSQSDDOJJI-VAMGGRTRSA-N 1 1 451.656 2.905 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001293651872 1066163626 /nfs/dbraw/zinc/16/36/26/1066163626.db2.gz GFIQVPYERCYPQC-HSALFYBXSA-N 1 1 492.665 2.775 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001293651872 1066163629 /nfs/dbraw/zinc/16/36/29/1066163629.db2.gz GFIQVPYERCYPQC-HSALFYBXSA-N 1 1 492.665 2.775 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1CCOC ZINC001293651933 1066164290 /nfs/dbraw/zinc/16/42/90/1066164290.db2.gz HFNDGHMKLYXOBH-WOJBJXKFSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293652518 1066164672 /nfs/dbraw/zinc/16/46/72/1066164672.db2.gz PQDAIKBNYDKJSJ-OQLXKQOESA-N 1 1 490.693 2.658 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)C[C@H]1[NH+]1CCOCC1 ZINC001293653792 1066166403 /nfs/dbraw/zinc/16/64/03/1066166403.db2.gz QMGJOPIAADEPHP-RBSFLKMASA-N 1 1 464.355 2.664 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001293658432 1066167472 /nfs/dbraw/zinc/16/74/72/1066167472.db2.gz ILHBGSKOWXIHCR-BVSLBCMMSA-N 1 1 461.582 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293660640 1066168633 /nfs/dbraw/zinc/16/86/33/1066168633.db2.gz VXDBZPUIEKWFNY-UKIFCOJHSA-N 1 1 479.666 2.753 20 0 JFADMO C[C@@H]1C[C@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001293663575 1066168822 /nfs/dbraw/zinc/16/88/22/1066168822.db2.gz LXGRGVLZKFBBCY-NFBKMPQASA-N 1 1 451.567 2.881 20 0 JFADMO CC/C=C\Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001293721994 1066182073 /nfs/dbraw/zinc/18/20/73/1066182073.db2.gz QVJGIJSHIBWVNW-ZYHOBAKYSA-N 1 1 458.632 2.783 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293736607 1066197436 /nfs/dbraw/zinc/19/74/36/1066197436.db2.gz SFYYRJUPSIIPSM-BHIFYINESA-N 1 1 487.693 2.767 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001293756490 1066236705 /nfs/dbraw/zinc/23/67/05/1066236705.db2.gz SAXGCOMRNAILJQ-FUPPJEDESA-N 1 1 483.661 2.648 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293782512 1066279511 /nfs/dbraw/zinc/27/95/11/1066279511.db2.gz ZKOJOHCBWYTQAL-NRFANRHFSA-N 1 1 487.693 2.769 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001293818644 1066325494 /nfs/dbraw/zinc/32/54/94/1066325494.db2.gz LTESBGDYHNRQPC-OTPAQWSUSA-N 1 1 454.619 2.881 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293837283 1066342086 /nfs/dbraw/zinc/34/20/86/1066342086.db2.gz SIWOAQYMDWQZQJ-HOFKKMOUSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293850193 1066355177 /nfs/dbraw/zinc/35/51/77/1066355177.db2.gz NTRNNHIZESICGX-LEWJYISDSA-N 1 1 454.619 2.656 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293851915 1066357632 /nfs/dbraw/zinc/35/76/32/1066357632.db2.gz WSSIWDLRQYGVGN-SXWKCWPCSA-N 1 1 484.645 2.663 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001293852616 1066358693 /nfs/dbraw/zinc/35/86/93/1066358693.db2.gz YBCQPFUECKTMMR-HOYKHHGWSA-N 1 1 490.052 2.847 20 0 JFADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC001293854978 1066361838 /nfs/dbraw/zinc/36/18/38/1066361838.db2.gz JXBVUWYOBGLEDF-UHFFFAOYSA-N 1 1 452.555 2.565 20 0 JFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)[C@H]1c1cccs1 ZINC001293863528 1066374376 /nfs/dbraw/zinc/37/43/76/1066374376.db2.gz DFEHIWOMRVATCQ-KSPYYYPUSA-N 1 1 459.587 2.591 20 0 JFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293892352 1066393035 /nfs/dbraw/zinc/39/30/35/1066393035.db2.gz VYTQPZOQXRZGAY-QZTJIDSGSA-N 1 1 454.612 2.691 20 0 JFADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293892349 1066393137 /nfs/dbraw/zinc/39/31/37/1066393137.db2.gz VYTQPZOQXRZGAY-MSOLQXFVSA-N 1 1 454.612 2.691 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293910979 1066397021 /nfs/dbraw/zinc/39/70/21/1066397021.db2.gz REEYOCGAWIFHOY-OALUTQOASA-N 1 1 467.618 2.785 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293908743 1066397189 /nfs/dbraw/zinc/39/71/89/1066397189.db2.gz CPVMAHPAYSIWMA-SFHVURJKSA-N 1 1 467.618 2.928 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293908743 1066397202 /nfs/dbraw/zinc/39/72/02/1066397202.db2.gz CPVMAHPAYSIWMA-SFHVURJKSA-N 1 1 467.618 2.928 20 0 JFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001293914196 1066398866 /nfs/dbraw/zinc/39/88/66/1066398866.db2.gz KPFRBJVJAHOKOG-OAQYLSRUSA-N 1 1 455.002 2.969 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293920881 1066400592 /nfs/dbraw/zinc/40/05/92/1066400592.db2.gz BFNLBINQXZKENJ-AZUAARDMSA-N 1 1 470.684 2.500 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001293924335 1066404993 /nfs/dbraw/zinc/40/49/93/1066404993.db2.gz PETZQASPWMLKBZ-AABGKKOBSA-N 1 1 484.711 2.746 20 0 JFADMO C[C@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[NH+]1CCOCC1 ZINC001293931950 1066410684 /nfs/dbraw/zinc/41/06/84/1066410684.db2.gz DXWXQPJAZVQYTC-CQSZACIVSA-N 1 1 450.630 2.593 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293934464 1066415712 /nfs/dbraw/zinc/41/57/12/1066415712.db2.gz XZXYBCORMBPTIB-SFTDATJTSA-N 1 1 487.693 2.910 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293934462 1066415801 /nfs/dbraw/zinc/41/58/01/1066415801.db2.gz XZXYBCORMBPTIB-NHCUHLMSSA-N 1 1 487.693 2.910 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001293937437 1066421584 /nfs/dbraw/zinc/42/15/84/1066421584.db2.gz PCIGTBPFSUDPRP-FHWLQOOXSA-N 1 1 454.623 2.739 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293943808 1066431476 /nfs/dbraw/zinc/43/14/76/1066431476.db2.gz DMPKSLCWKOVWEN-ACRUOGEOSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293948316 1066447047 /nfs/dbraw/zinc/44/70/47/1066447047.db2.gz YHARVQFQCPWYMR-JDRJUVJTSA-N 1 1 486.636 2.596 20 0 JFADMO CN1C(=O)C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001293981688 1066485092 /nfs/dbraw/zinc/48/50/92/1066485092.db2.gz GIOXRGWBGUEQDN-ANJVHQHFSA-N 1 1 459.949 2.752 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294006318 1066505134 /nfs/dbraw/zinc/50/51/34/1066505134.db2.gz MMELSDBIZDUKQJ-OAQYLSRUSA-N 1 1 459.639 2.559 20 0 JFADMO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC001294015755 1066509631 /nfs/dbraw/zinc/50/96/31/1066509631.db2.gz JHWCDIFVFKUYCB-KRWDZBQOSA-N 1 1 466.677 2.852 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)cs2)CC[N@H+]1CCOC ZINC001294054486 1066526356 /nfs/dbraw/zinc/52/63/56/1066526356.db2.gz HRVFAQHZEVYFAH-GOSISDBHSA-N 1 1 484.630 2.676 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001294055663 1066529303 /nfs/dbraw/zinc/52/93/03/1066529303.db2.gz FHESTTHUBPTAIH-QNIAMRLHSA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)CC[N@H+]1CCOC ZINC001294056132 1066530076 /nfs/dbraw/zinc/53/00/76/1066530076.db2.gz YQECDPJEKGDEAU-FQEVSTJZSA-N 1 1 485.633 2.679 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC[N@H+]1CCOC ZINC001294060168 1066532825 /nfs/dbraw/zinc/53/28/25/1066532825.db2.gz CGYZJXJYFDFKTM-GOSISDBHSA-N 1 1 456.513 2.908 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294067410 1066538161 /nfs/dbraw/zinc/53/81/61/1066538161.db2.gz IROAOMMWDNHWGH-DHIUTWEWSA-N 1 1 484.645 2.902 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294067413 1066538268 /nfs/dbraw/zinc/53/82/68/1066538268.db2.gz IROAOMMWDNHWGH-XZOQPEGZSA-N 1 1 484.645 2.902 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC[N@H+]1CCOC ZINC001294068728 1066539184 /nfs/dbraw/zinc/53/91/84/1066539184.db2.gz XDWJHOKOPVUWDG-MOPGFXCFSA-N 1 1 490.052 2.845 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294073139 1066542570 /nfs/dbraw/zinc/54/25/70/1066542570.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 1 1 474.625 2.742 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294074359 1066543423 /nfs/dbraw/zinc/54/34/23/1066543423.db2.gz RMEKSDJIEPGPKT-NTKDMRAZSA-N 1 1 475.659 2.759 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001294075077 1066544223 /nfs/dbraw/zinc/54/42/23/1066544223.db2.gz XPLYVLVZQGGGRO-NRFANRHFSA-N 1 1 480.617 2.760 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC[N@H+]1CCOC ZINC001294075506 1066544295 /nfs/dbraw/zinc/54/42/95/1066544295.db2.gz ADWOLNQBLPTJHJ-SJBKTWHCSA-N 1 1 457.623 2.733 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC[N@H+]1CCOC ZINC001294076485 1066545588 /nfs/dbraw/zinc/54/55/88/1066545588.db2.gz JMYSIXHKBZZINZ-FQEVSTJZSA-N 1 1 459.545 2.942 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@H+]1CCOC ZINC001294077880 1066547585 /nfs/dbraw/zinc/54/75/85/1066547585.db2.gz TVMXGLCEBIBGAT-SIKLNZKXSA-N 1 1 465.602 2.774 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@H+]1CCOC ZINC001294078597 1066548287 /nfs/dbraw/zinc/54/82/87/1066548287.db2.gz BKCZSBXOLXZFKD-NHCUHLMSSA-N 1 1 471.650 2.619 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294082430 1066551193 /nfs/dbraw/zinc/55/11/93/1066551193.db2.gz REKFVFBIBVNCHH-FPOVZHCZSA-N 1 1 458.607 2.561 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC[N@H+]1CCOC ZINC001294087546 1066559510 /nfs/dbraw/zinc/55/95/10/1066559510.db2.gz UEYKPINVXBJYOR-PWRODBHTSA-N 1 1 451.656 2.855 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2C)cc1 ZINC001294091685 1066562234 /nfs/dbraw/zinc/56/22/34/1066562234.db2.gz WRNSOMLSUWFWAE-FQEVSTJZSA-N 1 1 457.596 2.899 20 0 JFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430394 718956428 /nfs/dbraw/zinc/95/64/28/718956428.db2.gz UDOCOQWAPRACHB-NBGIEHNGSA-N 1 1 485.032 2.838 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)n1 ZINC001164644742 719280293 /nfs/dbraw/zinc/28/02/93/719280293.db2.gz SZNFDRDCCSJWNO-UHFFFAOYSA-N 1 1 488.702 2.909 20 0 JFADMO COCCN1CCN(C)C2(CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC2)C1=O ZINC001164644094 719280693 /nfs/dbraw/zinc/28/06/93/719280693.db2.gz CILUONVRGQJJCY-UHFFFAOYSA-N 1 1 486.686 2.663 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164665427 719357172 /nfs/dbraw/zinc/35/71/72/719357172.db2.gz XBDPHWQIEKMAIB-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4ccnc4)c3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164677470 719564674 /nfs/dbraw/zinc/56/46/74/719564674.db2.gz NYUGNXQWOLFRTJ-GOSISDBHSA-N 1 1 493.612 2.676 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4ccnc4)c3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164677470 719564680 /nfs/dbraw/zinc/56/46/80/719564680.db2.gz NYUGNXQWOLFRTJ-GOSISDBHSA-N 1 1 493.612 2.676 20 0 JFADMO COC(=O)c1cc2c(ncnc2N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164680204 719660728 /nfs/dbraw/zinc/66/07/28/719660728.db2.gz DDGBNQGQTVZMSE-SFHVURJKSA-N 1 1 490.608 2.790 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689362 719740180 /nfs/dbraw/zinc/74/01/80/719740180.db2.gz CSEUPKLCTWRXDQ-UHFFFAOYSA-N 1 1 498.697 2.583 20 0 JFADMO CN1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)COc2ccccc2S1(=O)=O ZINC001164690545 719780220 /nfs/dbraw/zinc/78/02/20/719780220.db2.gz DOWZNDDBKOQTMS-UHFFFAOYSA-N 1 1 486.638 2.854 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(N4CCOCC4)n2)CC3)cs1 ZINC001164690862 719805873 /nfs/dbraw/zinc/80/58/73/719805873.db2.gz BGNMVTBBCFWJEB-UHFFFAOYSA-N 1 1 450.012 2.762 20 0 JFADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702705 719848444 /nfs/dbraw/zinc/84/84/44/719848444.db2.gz PDQSXDPORWBCBQ-HOFKKMOUSA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702705 719848446 /nfs/dbraw/zinc/84/84/46/719848446.db2.gz PDQSXDPORWBCBQ-HOFKKMOUSA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702707 719848688 /nfs/dbraw/zinc/84/86/88/719848688.db2.gz PDQSXDPORWBCBQ-KCWPFWIISA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702707 719848689 /nfs/dbraw/zinc/84/86/89/719848689.db2.gz PDQSXDPORWBCBQ-KCWPFWIISA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2sccc21 ZINC001164701806 719875592 /nfs/dbraw/zinc/87/55/92/719875592.db2.gz HSNKBTZMWZBKIZ-UZUQRXQVSA-N 1 1 453.568 2.986 20 0 JFADMO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164698153 719882656 /nfs/dbraw/zinc/88/26/56/719882656.db2.gz DIZXVIQDCYVXDR-RJGXRXQPSA-N 1 1 470.577 2.767 20 0 JFADMO O=C([C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164707526 719913872 /nfs/dbraw/zinc/91/38/72/719913872.db2.gz SRDZWWZNOSPOPX-KMDXXIMOSA-N 1 1 462.594 2.893 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H](NC(=O)c3cnccn3)[C@@H]3OCCC[C@H]3C2)nc1 ZINC001164714639 720056270 /nfs/dbraw/zinc/05/62/70/720056270.db2.gz QONVPZVIIPJFLL-IEEQIXEPSA-N 1 1 450.587 2.832 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164715598 720107187 /nfs/dbraw/zinc/10/71/87/720107187.db2.gz IHCFWXUHEQABBW-HXUWFJFHSA-N 1 1 495.653 2.825 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718668 720115576 /nfs/dbraw/zinc/11/55/76/720115576.db2.gz ULAACADJWPEBEI-LJQANCHMSA-N 1 1 455.559 2.564 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164719083 720120852 /nfs/dbraw/zinc/12/08/52/720120852.db2.gz VNICZRHGBCAVCH-HXUWFJFHSA-N 1 1 473.021 2.869 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812572 720129683 /nfs/dbraw/zinc/12/96/83/720129683.db2.gz PHVJDLONOMEZJJ-KKSFZXQISA-N 1 1 456.418 2.805 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164711220 720143278 /nfs/dbraw/zinc/14/32/78/720143278.db2.gz GDEAFLWLQMZWMO-QFIPXVFZSA-N 1 1 485.654 2.769 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164711259 720143935 /nfs/dbraw/zinc/14/39/35/720143935.db2.gz GPODEPODOYSAOV-JOCHJYFZSA-N 1 1 480.613 2.894 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164713549 720150672 /nfs/dbraw/zinc/15/06/72/720150672.db2.gz RVEKRMODCZEQKV-JOCHJYFZSA-N 1 1 485.654 2.769 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001164820134 720151824 /nfs/dbraw/zinc/15/18/24/720151824.db2.gz ZPLXCTRNSDCGNX-DVECYGJZSA-N 1 1 472.611 2.857 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001164820131 720152676 /nfs/dbraw/zinc/15/26/76/720152676.db2.gz ZPLXCTRNSDCGNX-CYFREDJKSA-N 1 1 472.611 2.857 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(Cl)n1 ZINC001164814714 720220602 /nfs/dbraw/zinc/22/06/02/720220602.db2.gz WJDOSJKTWMOVJN-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CC[C@H]1C(=O)Nc2cnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2N1C1CCCC1 ZINC001164812178 720222117 /nfs/dbraw/zinc/22/21/17/720222117.db2.gz GFTRQSLZMKXRJB-NRFANRHFSA-N 1 1 494.644 2.764 20 0 JFADMO Cc1cc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc(N3CCOCC3)c2s1 ZINC001164814905 720229257 /nfs/dbraw/zinc/22/92/57/720229257.db2.gz ZVHVYQQYOXJKCN-UHFFFAOYSA-N 1 1 483.642 2.644 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2s1 ZINC001164812665 720230312 /nfs/dbraw/zinc/23/03/12/720230312.db2.gz HKNZCUQVLOWSSH-UHFFFAOYSA-N 1 1 456.572 2.675 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813503 720230676 /nfs/dbraw/zinc/23/06/76/720230676.db2.gz OZBIUYJPACGEOR-UHFFFAOYSA-N 1 1 484.601 2.660 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164814514 720233469 /nfs/dbraw/zinc/23/34/69/720233469.db2.gz WNVPJQCULXNCLD-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CCC2 ZINC001164812851 720241717 /nfs/dbraw/zinc/24/17/17/720241717.db2.gz JCJUESRRLHDUIN-UHFFFAOYSA-N 1 1 488.640 2.610 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C2)C1 ZINC001164718636 720250270 /nfs/dbraw/zinc/25/02/70/720250270.db2.gz GFXISPJTGFFORK-DEOSSOPVSA-N 1 1 489.979 2.791 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C2)C1 ZINC001164718636 720250277 /nfs/dbraw/zinc/25/02/77/720250277.db2.gz GFXISPJTGFFORK-DEOSSOPVSA-N 1 1 489.979 2.791 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164818217 720274492 /nfs/dbraw/zinc/27/44/92/720274492.db2.gz JLLQABHDUIHICZ-WHSBFGAESA-N 1 1 480.613 2.603 20 0 JFADMO COCCOc1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1OCCOC ZINC001164727760 720348402 /nfs/dbraw/zinc/34/84/02/720348402.db2.gz UNDHFQUMOAEWID-DHIUTWEWSA-N 1 1 479.581 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)nc1 ZINC001164834453 720479007 /nfs/dbraw/zinc/47/90/07/720479007.db2.gz SFOVYCUELQKHOO-UPVQGACJSA-N 1 1 468.646 2.815 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836676 720584882 /nfs/dbraw/zinc/58/48/82/720584882.db2.gz GHTNUWMCYWROQA-NLWGTHIKSA-N 1 1 451.575 2.719 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001164842237 720590279 /nfs/dbraw/zinc/59/02/79/720590279.db2.gz UVBRUQQWVUJATI-VKJFTORMSA-N 1 1 452.937 2.953 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843537 720593144 /nfs/dbraw/zinc/59/31/44/720593144.db2.gz XVYFSNICGLWROC-HLLBOEOZSA-N 1 1 457.966 2.972 20 0 JFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843589 720598810 /nfs/dbraw/zinc/59/88/10/720598810.db2.gz YJKKGKCOXREACF-PCCBWWKXSA-N 1 1 454.623 2.835 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837314 720622367 /nfs/dbraw/zinc/62/23/67/720622367.db2.gz IAAHQQGDUSZXAM-FDFHNCONSA-N 1 1 472.659 2.831 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164838269 720657817 /nfs/dbraw/zinc/65/78/17/720657817.db2.gz GWDIFPBSZAIKEM-KRWDZBQOSA-N 1 1 450.992 2.793 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164840424 720664469 /nfs/dbraw/zinc/66/44/69/720664469.db2.gz MKLXRLQGRVAKIX-HSZRJFAPSA-N 1 1 450.583 2.814 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164840427 720665015 /nfs/dbraw/zinc/66/50/15/720665015.db2.gz MKLXRLQGRVAKIX-QHCPKHFHSA-N 1 1 450.583 2.814 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164838112 720674996 /nfs/dbraw/zinc/67/49/96/720674996.db2.gz DXBFMAWGUSTDGC-LJQANCHMSA-N 1 1 458.994 2.622 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164838111 720675718 /nfs/dbraw/zinc/67/57/18/720675718.db2.gz DXBFMAWGUSTDGC-IBGZPJMESA-N 1 1 458.994 2.622 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838386 720710088 /nfs/dbraw/zinc/71/00/88/720710088.db2.gz ITWKHUSEWJKFLY-ASPBEGMCSA-N 1 1 472.611 2.651 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC(=O)N3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164836148 720731765 /nfs/dbraw/zinc/73/17/65/720731765.db2.gz BILGNPJBDQPOOW-GOSISDBHSA-N 1 1 457.619 2.520 20 0 JFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748199 720807604 /nfs/dbraw/zinc/80/76/04/720807604.db2.gz QAPDVADEJINJKW-NEPJUHHUSA-N 1 1 453.906 2.503 20 0 JFADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740800 720814340 /nfs/dbraw/zinc/81/43/40/720814340.db2.gz AJEPVDSLXWIVJE-JBRSBNLGSA-N 1 1 471.609 2.983 20 0 JFADMO O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164847543 720816245 /nfs/dbraw/zinc/81/62/45/720816245.db2.gz AOPBQYZKRBEFTD-GIGWZHCTSA-N 1 1 483.616 2.847 20 0 JFADMO O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164847543 720816247 /nfs/dbraw/zinc/81/62/47/720816247.db2.gz AOPBQYZKRBEFTD-GIGWZHCTSA-N 1 1 483.616 2.847 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164747854 720835838 /nfs/dbraw/zinc/83/58/38/720835838.db2.gz RUTDQPAHUUCWIV-RZUBCFFCSA-N 1 1 494.669 2.807 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164852549 720840318 /nfs/dbraw/zinc/84/03/18/720840318.db2.gz KRVLPYKJYDQFGW-REWPJTCUSA-N 1 1 472.033 2.862 20 0 JFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164742440 720842562 /nfs/dbraw/zinc/84/25/62/720842562.db2.gz GLRBXIGKAAPGBV-LZLYRXPVSA-N 1 1 460.966 2.501 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851858 720845021 /nfs/dbraw/zinc/84/50/21/720845021.db2.gz IGUWCIDBJYWHFS-KNQAVFIVSA-N 1 1 458.006 2.819 20 0 JFADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747543 720847167 /nfs/dbraw/zinc/84/71/67/720847167.db2.gz RFDJSXZITCLODV-GVDBMIGSSA-N 1 1 453.925 2.568 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164743539 720849030 /nfs/dbraw/zinc/84/90/30/720849030.db2.gz IZGXXMRSASYHPJ-BWKHYTDRSA-N 1 1 487.674 2.519 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164743542 720849258 /nfs/dbraw/zinc/84/92/58/720849258.db2.gz IZGXXMRSASYHPJ-XHRGMSINSA-N 1 1 487.674 2.519 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164746626 720849660 /nfs/dbraw/zinc/84/96/60/720849660.db2.gz PRHPGXKWXGJEGP-JAXLGGSGSA-N 1 1 487.674 2.519 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164748276 720849798 /nfs/dbraw/zinc/84/97/98/720849798.db2.gz SVQOUZDNEHSNTJ-IEIRFRATSA-N 1 1 487.674 2.519 20 0 JFADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743568 720849892 /nfs/dbraw/zinc/84/98/92/720849892.db2.gz JFRLZQYMNBMLSS-IXDOHACOSA-N 1 1 453.925 2.568 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751064 720853472 /nfs/dbraw/zinc/85/34/72/720853472.db2.gz PYZZWOFOBMWQOW-AYRHNUGRSA-N 1 1 499.667 2.774 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753609 720853507 /nfs/dbraw/zinc/85/35/07/720853507.db2.gz YQFMYUPPGLPOLV-ZFGGDYGUSA-N 1 1 456.598 2.998 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752564 720853553 /nfs/dbraw/zinc/85/35/53/720853553.db2.gz SVWYJQHLQCWTKV-AWRGLXIESA-N 1 1 456.598 2.998 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164753041 720859982 /nfs/dbraw/zinc/85/99/82/720859982.db2.gz VNFBLPHGLMQCRQ-SOUVJXGZSA-N 1 1 466.373 2.541 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164860146 720867669 /nfs/dbraw/zinc/86/76/69/720867669.db2.gz VMBGLHZPOMOSTJ-YLJYHZDGSA-N 1 1 464.607 2.531 20 0 JFADMO CCOC(=O)c1cncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750791 720868171 /nfs/dbraw/zinc/86/81/71/720868171.db2.gz JWCSEHOCJFNMDF-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755279 720872689 /nfs/dbraw/zinc/87/26/89/720872689.db2.gz VRNAHBDCENCDAD-YKSBVNFPSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755276 720872821 /nfs/dbraw/zinc/87/28/21/720872821.db2.gz VRNAHBDCENCDAD-GBXCKJPGSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164755727 720874536 /nfs/dbraw/zinc/87/45/36/720874536.db2.gz YIXIOZPTHBSUJV-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748539 720877359 /nfs/dbraw/zinc/87/73/59/720877359.db2.gz FVGSFQRPCMLSQT-CPJSRVTESA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748539 720877361 /nfs/dbraw/zinc/87/73/61/720877361.db2.gz FVGSFQRPCMLSQT-CPJSRVTESA-N 1 1 469.033 2.926 20 0 JFADMO CS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755294 720881610 /nfs/dbraw/zinc/88/16/10/720881610.db2.gz VVGFUGCDDYCAJC-QPPBQGQZSA-N 1 1 456.612 2.635 20 0 JFADMO CS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755297 720882295 /nfs/dbraw/zinc/88/22/95/720882295.db2.gz VVGFUGCDDYCAJC-ZJSXRUAMSA-N 1 1 456.612 2.635 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756269 720883728 /nfs/dbraw/zinc/88/37/28/720883728.db2.gz OYUFWUGCHSXGOY-NBGIEHNGSA-N 1 1 486.016 2.996 20 0 JFADMO NS(=O)(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164758798 720885731 /nfs/dbraw/zinc/88/57/31/720885731.db2.gz ZNYSAIUEXGSCDF-AUSIDOKSSA-N 1 1 492.045 2.533 20 0 JFADMO CCOC(=O)Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755371 720894592 /nfs/dbraw/zinc/89/45/92/720894592.db2.gz LMWGOBMRBQLRAP-BVAGGSTKSA-N 1 1 465.598 2.732 20 0 JFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755410 720895461 /nfs/dbraw/zinc/89/54/61/720895461.db2.gz LXIDHIMVEDTMQT-RXFWQSSRSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755410 720895463 /nfs/dbraw/zinc/89/54/63/720895463.db2.gz LXIDHIMVEDTMQT-RXFWQSSRSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755410 720895466 /nfs/dbraw/zinc/89/54/66/720895466.db2.gz LXIDHIMVEDTMQT-RXFWQSSRSA-N 1 1 476.581 2.895 20 0 JFADMO O=c1cc(Cn2ccnc2)nc2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164860079 720895551 /nfs/dbraw/zinc/89/55/51/720895551.db2.gz SCSMHJCOJYMLPE-UHFFFAOYSA-N 1 1 467.577 2.852 20 0 JFADMO CN(C)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2nc[nH]c21 ZINC001164755006 720895991 /nfs/dbraw/zinc/89/59/91/720895991.db2.gz KDCRQCYERRJKCV-NBGIEHNGSA-N 1 1 462.602 2.569 20 0 JFADMO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164757191 720898794 /nfs/dbraw/zinc/89/87/94/720898794.db2.gz UFTMDWUGNOVBSQ-ATIYNZHBSA-N 1 1 465.598 2.732 20 0 JFADMO O=C(NC[C@@H]1OC[C@@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21)c1ccno1 ZINC001164853446 720907378 /nfs/dbraw/zinc/90/73/78/720907378.db2.gz AOMVQEUOQMHUTD-FBLLAGFSSA-N 1 1 473.577 2.899 20 0 JFADMO c1ncn(Cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)n1 ZINC001164748515 720909967 /nfs/dbraw/zinc/90/99/67/720909967.db2.gz GNNMUVTXXYMOMA-AZGAKELHSA-N 1 1 459.598 2.872 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164750916 720910557 /nfs/dbraw/zinc/91/05/57/720910557.db2.gz LCGSNURLSBXPAR-OZXSUGGESA-N 1 1 499.681 2.918 20 0 JFADMO COCCOc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164750730 720914821 /nfs/dbraw/zinc/91/48/21/720914821.db2.gz KDQQKDSWRDHKSF-DHLKQENFSA-N 1 1 453.587 2.652 20 0 JFADMO O=c1ccccn1-c1nccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755166 720915983 /nfs/dbraw/zinc/91/59/83/720915983.db2.gz ZGPYAEYFJWGILL-KCWPFWIISA-N 1 1 472.593 2.778 20 0 JFADMO O=C(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752104 720923002 /nfs/dbraw/zinc/92/30/02/720923002.db2.gz NDVTWBQUAZEESS-LVXARBLLSA-N 1 1 462.598 2.519 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859048 720976050 /nfs/dbraw/zinc/97/60/50/720976050.db2.gz KRBQSHVIQNJLAX-CQSZACIVSA-N 1 1 460.970 2.661 20 0 JFADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)C1 ZINC001164859693 721004998 /nfs/dbraw/zinc/00/49/98/721004998.db2.gz LKLFLHXRQDJPSF-OALUTQOASA-N 1 1 455.607 2.874 20 0 JFADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O ZINC001164857278 721030699 /nfs/dbraw/zinc/03/06/99/721030699.db2.gz CEHVZOULBPNNAV-QDSKXPNFSA-N 1 1 456.631 2.902 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164871018 721052986 /nfs/dbraw/zinc/05/29/86/721052986.db2.gz XTLQWDSLRLHEAX-ROUUACIJSA-N 1 1 453.930 2.945 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164770432 721078802 /nfs/dbraw/zinc/07/88/02/721078802.db2.gz PZXJEDPFLMCFEH-HUUCEWRRSA-N 1 1 454.909 2.543 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164867340 721087033 /nfs/dbraw/zinc/08/70/33/721087033.db2.gz YDBQQKCSMPWVLX-XPWALMASSA-N 1 1 491.640 2.855 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865190 721098833 /nfs/dbraw/zinc/09/88/33/721098833.db2.gz JLVWZGNYNOALMA-CABCVRRESA-N 1 1 452.342 2.835 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866364 721101868 /nfs/dbraw/zinc/10/18/68/721101868.db2.gz SSBTYLFNPWHKNA-IRXDYDNUSA-N 1 1 452.889 2.941 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867649 721119135 /nfs/dbraw/zinc/11/91/35/721119135.db2.gz ZFZUSRBQQXUHRI-YADHBBJMSA-N 1 1 460.582 2.890 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867314 721121625 /nfs/dbraw/zinc/12/16/25/721121625.db2.gz XUGCGTYXGXLTTE-MOPGFXCFSA-N 1 1 467.570 2.728 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774106 721133784 /nfs/dbraw/zinc/13/37/84/721133784.db2.gz ZURVDPAGWBHRLT-OALUTQOASA-N 1 1 451.575 2.670 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874446 721140621 /nfs/dbraw/zinc/14/06/21/721140621.db2.gz KABFOVQPSWWZQA-CVEARBPZSA-N 1 1 452.889 2.941 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762091 721161582 /nfs/dbraw/zinc/16/15/82/721161582.db2.gz BWNRKNPDBSGASU-FTJBHMTQSA-N 1 1 499.663 2.731 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)cn1 ZINC001164762093 721163393 /nfs/dbraw/zinc/16/33/93/721163393.db2.gz BWNRKNPDBSGASU-UIOOFZCWSA-N 1 1 499.663 2.731 20 0 JFADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164762483 721173047 /nfs/dbraw/zinc/17/30/47/721173047.db2.gz CGWZMOKJSMJFBS-YSOBTRATSA-N 1 1 480.613 2.944 20 0 JFADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765723 721198962 /nfs/dbraw/zinc/19/89/62/721198962.db2.gz IDHJBGLVFYRTLZ-NHCUHLMSSA-N 1 1 481.670 2.832 20 0 JFADMO O=C(N[C@H]1CCO[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164870656 721213630 /nfs/dbraw/zinc/21/36/30/721213630.db2.gz GZDQCGYQEZYIJZ-FDDCHVKYSA-N 1 1 456.978 2.679 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@@H]3C2)cn1 ZINC001164770098 721217529 /nfs/dbraw/zinc/21/75/29/721217529.db2.gz NAGPVYFMMNLUGV-ROUUACIJSA-N 1 1 488.564 2.852 20 0 JFADMO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164765538 721226299 /nfs/dbraw/zinc/22/62/99/721226299.db2.gz RWJPBVOTOMPXEZ-RBUKOAKNSA-N 1 1 464.570 2.861 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761089 721227822 /nfs/dbraw/zinc/22/78/22/721227822.db2.gz HHSYXGNESNCZPK-XZOQPEGZSA-N 1 1 459.598 2.672 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1Cl ZINC001164869325 721266370 /nfs/dbraw/zinc/26/63/70/721266370.db2.gz KFQQCIAGEREFAU-UHFFFAOYSA-N 1 1 473.401 2.572 20 0 JFADMO O=C(NCc1cnc2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)c1ccno1 ZINC001164763091 721268217 /nfs/dbraw/zinc/26/82/17/721268217.db2.gz BSYJXQROFUCLON-UHFFFAOYSA-N 1 1 469.549 2.775 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ncc3OCc3ccccc3)CC2)C1 ZINC001164872435 721273587 /nfs/dbraw/zinc/27/35/87/721273587.db2.gz CPPRYZVLCOINLV-UHFFFAOYSA-N 1 1 474.005 2.716 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)CC2)C1 ZINC001164874402 721278871 /nfs/dbraw/zinc/27/88/71/721278871.db2.gz QHHGMCNTSSFCCH-UHFFFAOYSA-N 1 1 467.948 2.835 20 0 JFADMO CCc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@@H+](CC(=O)N(C)C)C4)n1)CCC3 ZINC001164873339 721283436 /nfs/dbraw/zinc/28/34/36/721283436.db2.gz LJYACNJYEGVIHO-UHFFFAOYSA-N 1 1 457.644 2.749 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)C1 ZINC001164872974 721284153 /nfs/dbraw/zinc/28/41/53/721284153.db2.gz KHWWFBDLQFQBLK-UHFFFAOYSA-N 1 1 494.974 2.744 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(SCc4ccccc4)n3)CC2)C1 ZINC001164879631 721290045 /nfs/dbraw/zinc/29/00/45/721290045.db2.gz YAACKQUZQHVQPB-UHFFFAOYSA-N 1 1 455.628 2.776 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccc(Cl)cc43)CC2)C1 ZINC001164879171 721290415 /nfs/dbraw/zinc/29/04/15/721290415.db2.gz WAIJIDNCZMTLNR-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)C1 ZINC001164879191 721294195 /nfs/dbraw/zinc/29/41/95/721294195.db2.gz WOSLEVCICGPVSN-UHFFFAOYSA-N 1 1 498.018 2.664 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)c2)CC1 ZINC001164874850 721299464 /nfs/dbraw/zinc/29/94/64/721299464.db2.gz DHZADHIASQKTRZ-AVRDEDQJSA-N 1 1 456.612 2.984 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)c2)CC1 ZINC001164874859 721299679 /nfs/dbraw/zinc/29/96/79/721299679.db2.gz DHZADHIASQKTRZ-XMSQKQJNSA-N 1 1 456.612 2.984 20 0 JFADMO O=C(NCc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2OCC[C@H]21 ZINC001164874179 721303221 /nfs/dbraw/zinc/30/32/21/721303221.db2.gz BIPUDDTUKLWSIW-HBMCJLEFSA-N 1 1 455.990 2.884 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164776850 721342117 /nfs/dbraw/zinc/34/21/17/721342117.db2.gz DKOJONGCHGMDJN-NRFANRHFSA-N 1 1 451.930 2.697 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164776850 721342123 /nfs/dbraw/zinc/34/21/23/721342123.db2.gz DKOJONGCHGMDJN-NRFANRHFSA-N 1 1 451.930 2.697 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778265 721351152 /nfs/dbraw/zinc/35/11/52/721351152.db2.gz LVDJREZDSFGKBP-QHCPKHFHSA-N 1 1 477.993 2.959 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778265 721351156 /nfs/dbraw/zinc/35/11/56/721351156.db2.gz LVDJREZDSFGKBP-QHCPKHFHSA-N 1 1 477.993 2.959 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164779487 721353727 /nfs/dbraw/zinc/35/37/27/721353727.db2.gz UHGYZYVRZXJRFL-JOCHJYFZSA-N 1 1 463.941 2.841 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164779487 721353729 /nfs/dbraw/zinc/35/37/29/721353729.db2.gz UHGYZYVRZXJRFL-JOCHJYFZSA-N 1 1 463.941 2.841 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781442 721376513 /nfs/dbraw/zinc/37/65/13/721376513.db2.gz JSNZPPPFUYJQFC-JOCHJYFZSA-N 1 1 462.982 2.604 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781442 721376515 /nfs/dbraw/zinc/37/65/15/721376515.db2.gz JSNZPPPFUYJQFC-JOCHJYFZSA-N 1 1 462.982 2.604 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885731 721391218 /nfs/dbraw/zinc/39/12/18/721391218.db2.gz DHBXIGNJQAJFQA-UZLBHIALSA-N 1 1 458.985 2.506 20 0 JFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891357 721400724 /nfs/dbraw/zinc/40/07/24/721400724.db2.gz VMMMTZWHFDHJKQ-FDDCHVKYSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891401 721401166 /nfs/dbraw/zinc/40/11/66/721401166.db2.gz VVSVXJODMQULAR-JPYJTQIMSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891403 721401385 /nfs/dbraw/zinc/40/13/85/721401385.db2.gz VVSVXJODMQULAR-WZONZLPQSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891451 721410246 /nfs/dbraw/zinc/41/02/46/721410246.db2.gz WERBSVVHGLHJLO-NLFFAJNJSA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164885175 721423532 /nfs/dbraw/zinc/42/35/32/721423532.db2.gz GDBPFBATVNDIDX-GAJHUEQPSA-N 1 1 459.616 2.633 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164895819 721433359 /nfs/dbraw/zinc/43/33/59/721433359.db2.gz QADNONGRZHYGOK-KKSFZXQISA-N 1 1 472.964 2.832 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C3)O2)CC1 ZINC001164892359 721435455 /nfs/dbraw/zinc/43/54/55/721435455.db2.gz IGCBHQJTFXXQOR-QFQXNSOFSA-N 1 1 465.598 2.680 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C3)O2)CC1 ZINC001164895359 721435656 /nfs/dbraw/zinc/43/56/56/721435656.db2.gz NWUQUTSNVDJAGU-NAKRPHOHSA-N 1 1 491.684 2.569 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)O2)CC1 ZINC001164896149 721436348 /nfs/dbraw/zinc/43/63/48/721436348.db2.gz QSJCVGHHFZXADN-HRAATJIYSA-N 1 1 455.981 2.929 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@](F)(COc4cncc(Cl)n4)C(F)F)C3)O2)CC1 ZINC001164890790 721439988 /nfs/dbraw/zinc/43/99/88/721439988.db2.gz FTPKNBBWUCVJMR-ORYQWCPZSA-N 1 1 477.959 2.701 20 0 JFADMO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccnc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164781379 721445517 /nfs/dbraw/zinc/44/55/17/721445517.db2.gz FREZSIBCILJHJL-AUSIDOKSSA-N 1 1 458.632 2.586 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788664 721455271 /nfs/dbraw/zinc/45/52/71/721455271.db2.gz SESKCFAHSRPTOS-SFHVURJKSA-N 1 1 479.647 2.504 20 0 JFADMO CNC(=O)c1nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1Cl ZINC001164788624 721462326 /nfs/dbraw/zinc/46/23/26/721462326.db2.gz UVVUYHFCHUDCSU-SFHVURJKSA-N 1 1 451.011 2.829 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164789471 721467369 /nfs/dbraw/zinc/46/73/69/721467369.db2.gz NDEYGRFUYGTWTR-JOCHJYFZSA-N 1 1 487.645 2.725 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164789315 721467887 /nfs/dbraw/zinc/46/78/87/721467887.db2.gz MGNYGXZXCCCGOT-QFIPXVFZSA-N 1 1 499.656 2.646 20 0 JFADMO CCOC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)Cc2cnn(C)c21 ZINC001164793903 721477162 /nfs/dbraw/zinc/47/71/62/721477162.db2.gz ZPHUYZIPUMSZSO-AZUAARDMSA-N 1 1 484.645 2.754 20 0 JFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900185 721495476 /nfs/dbraw/zinc/49/54/76/721495476.db2.gz NDAJCVWISHXLKC-CEWLAPEOSA-N 1 1 450.616 2.898 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899758 721495669 /nfs/dbraw/zinc/49/56/69/721495669.db2.gz KUFGAJJMHFHRFQ-WOIUINJBSA-N 1 1 480.642 2.777 20 0 JFADMO CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)CC1 ZINC001164796421 721522416 /nfs/dbraw/zinc/52/24/16/721522416.db2.gz YHYGQBRXZSKKPK-UHFFFAOYSA-N 1 1 477.991 2.621 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164805566 721536039 /nfs/dbraw/zinc/53/60/39/721536039.db2.gz MILOQYZBPOCQSK-HBMCJLEFSA-N 1 1 466.611 2.791 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164805566 721536040 /nfs/dbraw/zinc/53/60/40/721536040.db2.gz MILOQYZBPOCQSK-HBMCJLEFSA-N 1 1 466.611 2.791 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164906596 721550671 /nfs/dbraw/zinc/55/06/71/721550671.db2.gz KFAHIRZPLDXBDD-GDBMZVCRSA-N 1 1 459.909 2.889 20 0 JFADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164907590 721553340 /nfs/dbraw/zinc/55/33/40/721553340.db2.gz OURHHYRQGJPOLV-CTNGQTDRSA-N 1 1 460.575 2.737 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905310 721556097 /nfs/dbraw/zinc/55/60/97/721556097.db2.gz GPZDICCDHXSRTE-CTNGQTDRSA-N 1 1 462.591 2.887 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164807273 721563105 /nfs/dbraw/zinc/56/31/05/721563105.db2.gz SFWRGIRTJVUNKN-BZSNNMDCSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)[nH]1 ZINC001164807273 721563110 /nfs/dbraw/zinc/56/31/10/721563110.db2.gz SFWRGIRTJVUNKN-BZSNNMDCSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164807850 721574735 /nfs/dbraw/zinc/57/47/35/721574735.db2.gz TXKGJFKPTXRDFW-BQFCYCMXSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c12 ZINC001164807850 721574738 /nfs/dbraw/zinc/57/47/38/721574738.db2.gz TXKGJFKPTXRDFW-BQFCYCMXSA-N 1 1 456.934 2.661 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@@H]2C1=O ZINC001164905542 721575139 /nfs/dbraw/zinc/57/51/39/721575139.db2.gz ZVDIJXUVOIARDL-MJGOQNOKSA-N 1 1 469.655 2.953 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806832 721580897 /nfs/dbraw/zinc/58/08/97/721580897.db2.gz NBVYRIIAAAYRTP-GPXNEJASSA-N 1 1 473.643 2.669 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806832 721580900 /nfs/dbraw/zinc/58/09/00/721580900.db2.gz NBVYRIIAAAYRTP-GPXNEJASSA-N 1 1 473.643 2.669 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@@H]2CCCO[C@H]12 ZINC001164810765 721584267 /nfs/dbraw/zinc/58/42/67/721584267.db2.gz WCIBJHRMORFPFJ-XPNTWCBSSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@@H]2CCCO[C@H]12 ZINC001164810765 721584271 /nfs/dbraw/zinc/58/42/71/721584271.db2.gz WCIBJHRMORFPFJ-XPNTWCBSSA-N 1 1 471.627 2.519 20 0 JFADMO O=C(c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164907081 721585635 /nfs/dbraw/zinc/58/56/35/721585635.db2.gz RANAVRLOSOOOBZ-HSZRJFAPSA-N 1 1 457.525 2.687 20 0 JFADMO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCOCC1 ZINC001164796929 721596223 /nfs/dbraw/zinc/59/62/23/721596223.db2.gz FAIFFTIYBXHKHP-AABGKKOBSA-N 1 1 497.665 2.761 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)n1 ZINC001164796440 721596293 /nfs/dbraw/zinc/59/62/93/721596293.db2.gz BZVJHSDWXUHWFP-QYZOEREBSA-N 1 1 473.643 2.745 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnccn3)[C@@H]3COC[C@@H]32)n1 ZINC001164802063 721598746 /nfs/dbraw/zinc/59/87/46/721598746.db2.gz QNNUAEXBHPFGJO-WDSOQIARSA-N 1 1 481.626 2.574 20 0 JFADMO CN1c2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N2CCC[C@H]2C1=O ZINC001164905662 721706124 /nfs/dbraw/zinc/70/61/24/721706124.db2.gz IHEATPMMGXTNTM-MBSDFSHPSA-N 1 1 469.540 2.555 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907045 721724751 /nfs/dbraw/zinc/72/47/51/721724751.db2.gz PWNRFLVWIVZUDY-OAQYLSRUSA-N 1 1 465.570 2.901 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912592 721731620 /nfs/dbraw/zinc/73/16/20/721731620.db2.gz OCNHIARVKPTHEC-SFHVURJKSA-N 1 1 457.934 2.515 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908401 721750050 /nfs/dbraw/zinc/75/00/50/721750050.db2.gz HWLLHXJWILAVFJ-UHFFFAOYSA-N 1 1 454.556 2.953 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908401 721750055 /nfs/dbraw/zinc/75/00/55/721750055.db2.gz HWLLHXJWILAVFJ-UHFFFAOYSA-N 1 1 454.556 2.953 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@H]4C3)c2)CC1 ZINC001165012820 721754203 /nfs/dbraw/zinc/75/42/03/721754203.db2.gz HKCDOTADYQWMHM-SDHSZQHLSA-N 1 1 479.625 2.540 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@@H]4C3)c2)CC1 ZINC001165012814 721754420 /nfs/dbraw/zinc/75/44/20/721754420.db2.gz HKCDOTADYQWMHM-DSITVLBTSA-N 1 1 479.625 2.540 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnn(C)c4)[C@H]4OCCC[C@H]43)c2c1C ZINC001165013917 721757615 /nfs/dbraw/zinc/75/76/15/721757615.db2.gz UWGFKBIQIGAGJE-NNMXDRDESA-N 1 1 495.653 2.804 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnn(C)c4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001165013916 721757779 /nfs/dbraw/zinc/75/77/79/721757779.db2.gz UWGFKBIQIGAGJE-JQVVWYNYSA-N 1 1 495.653 2.804 20 0 JFADMO O=C(c1cnccn1)N1CCOC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)C1 ZINC001165012086 721759583 /nfs/dbraw/zinc/75/95/83/721759583.db2.gz APUMCNFWMFTMMW-UHFFFAOYSA-N 1 1 456.978 2.632 20 0 JFADMO Clc1nc2c(Cl)nccc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914509 721793332 /nfs/dbraw/zinc/79/33/32/721793332.db2.gz OLNQRXHSUKJKRU-NRFANRHFSA-N 1 1 461.353 2.834 20 0 JFADMO Clc1nc2c(Cl)nccc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914509 721793336 /nfs/dbraw/zinc/79/33/36/721793336.db2.gz OLNQRXHSUKJKRU-NRFANRHFSA-N 1 1 461.353 2.834 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165017579 721795342 /nfs/dbraw/zinc/79/53/42/721795342.db2.gz GFGXLBHRGFXVEV-UIOOFZCWSA-N 1 1 485.588 2.660 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]32)cc1 ZINC001165017579 721795345 /nfs/dbraw/zinc/79/53/45/721795345.db2.gz GFGXLBHRGFXVEV-UIOOFZCWSA-N 1 1 485.588 2.660 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024242 721819563 /nfs/dbraw/zinc/81/95/63/721819563.db2.gz KAYPQADBSKVWJP-VJBMBRPKSA-N 1 1 480.613 2.622 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027066 721822574 /nfs/dbraw/zinc/82/25/74/721822574.db2.gz RNTRDTOUURMJHS-NEGOIERBSA-N 1 1 457.600 2.523 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027064 721822662 /nfs/dbraw/zinc/82/26/62/721822662.db2.gz RNTRDTOUURMJHS-LBFLPLNYSA-N 1 1 457.600 2.523 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@H]21 ZINC001165025100 721824015 /nfs/dbraw/zinc/82/40/15/721824015.db2.gz LPOASMLFWLGZSW-WWPVKYPJSA-N 1 1 455.628 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@@H]21 ZINC001165024669 721827662 /nfs/dbraw/zinc/82/76/62/721827662.db2.gz KYURDQIYQQCKHB-AJSBUHFISA-N 1 1 455.628 2.998 20 0 JFADMO CCOC(=O)C1(F)CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001165016908 721834588 /nfs/dbraw/zinc/83/45/88/721834588.db2.gz IFHWKROCIHFBRF-KRWDZBQOSA-N 1 1 464.582 2.752 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164931734 721854165 /nfs/dbraw/zinc/85/41/65/721854165.db2.gz VNIVOMUIFMCHEK-VQTJNVASSA-N 1 1 489.045 2.845 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164931734 721854166 /nfs/dbraw/zinc/85/41/66/721854166.db2.gz VNIVOMUIFMCHEK-VQTJNVASSA-N 1 1 489.045 2.845 20 0 JFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929171 721879032 /nfs/dbraw/zinc/87/90/32/721879032.db2.gz AGZYJLUXUWOSGE-UXHICEINSA-N 1 1 470.687 2.617 20 0 JFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929171 721879033 /nfs/dbraw/zinc/87/90/33/721879033.db2.gz AGZYJLUXUWOSGE-UXHICEINSA-N 1 1 470.687 2.617 20 0 JFADMO Cn1ccc(CN2CCOCC23CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)CC3)n1 ZINC001164933009 721904925 /nfs/dbraw/zinc/90/49/25/721904925.db2.gz FTSSKUQGUOQDCL-UHFFFAOYSA-N 1 1 473.625 2.640 20 0 JFADMO Cn1ccc(CN2CCOCC23CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)CC3)n1 ZINC001164933009 721904926 /nfs/dbraw/zinc/90/49/26/721904926.db2.gz FTSSKUQGUOQDCL-UHFFFAOYSA-N 1 1 473.625 2.640 20 0 JFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945141 721976712 /nfs/dbraw/zinc/97/67/12/721976712.db2.gz DQXVBNZDXJZIAU-BQYQJAHWSA-N 1 1 459.550 2.720 20 0 JFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945141 721976716 /nfs/dbraw/zinc/97/67/16/721976716.db2.gz DQXVBNZDXJZIAU-BQYQJAHWSA-N 1 1 459.550 2.720 20 0 JFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164948175 721980303 /nfs/dbraw/zinc/98/03/03/721980303.db2.gz JSZUPLYMILIXHQ-UHFFFAOYSA-N 1 1 458.353 2.698 20 0 JFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c(Cl)ncnc31)CC2 ZINC001164948175 721980305 /nfs/dbraw/zinc/98/03/05/721980305.db2.gz JSZUPLYMILIXHQ-UHFFFAOYSA-N 1 1 458.353 2.698 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(S(=O)(=O)N(C)C)CC[C@@H]3C2)n1 ZINC001164954793 721989621 /nfs/dbraw/zinc/98/96/21/721989621.db2.gz XFFIXGYZBBIPDD-QZTJIDSGSA-N 1 1 480.704 2.714 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164950879 722000190 /nfs/dbraw/zinc/00/01/90/722000190.db2.gz LFTXGEKZPXHRRS-YMPZKCBVSA-N 1 1 476.606 2.658 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164950879 722000192 /nfs/dbraw/zinc/00/01/92/722000192.db2.gz LFTXGEKZPXHRRS-YMPZKCBVSA-N 1 1 476.606 2.658 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165056623 722015994 /nfs/dbraw/zinc/01/59/94/722015994.db2.gz YZNDAJXWXDJUDV-WOJBJXKFSA-N 1 1 485.583 2.986 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4COC[C@@H]43)c2c1C ZINC001164960093 722037373 /nfs/dbraw/zinc/03/73/73/722037373.db2.gz JGWPVDZFTFUYBZ-BJLQDIEVSA-N 1 1 480.638 2.876 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@@H]4COC[C@H]43)c2c1C ZINC001164960094 722037383 /nfs/dbraw/zinc/03/73/83/722037383.db2.gz JGWPVDZFTFUYBZ-CMKODMSKSA-N 1 1 480.638 2.876 20 0 JFADMO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959466 722052440 /nfs/dbraw/zinc/05/24/40/722052440.db2.gz KLAYGLWWPGQCLK-UHFFFAOYSA-N 1 1 457.600 2.889 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164960042 722059513 /nfs/dbraw/zinc/05/95/13/722059513.db2.gz FLLLNNSRFZSIBM-UHFFFAOYSA-N 1 1 470.961 2.912 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164964834 722069313 /nfs/dbraw/zinc/06/93/13/722069313.db2.gz CUHPFYZQZJRVMH-HDICACEKSA-N 1 1 488.013 2.930 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164967777 722074511 /nfs/dbraw/zinc/07/45/11/722074511.db2.gz WBOHEHSWVBXPRH-INDMIFKZSA-N 1 1 476.572 2.525 20 0 JFADMO O=S(=O)(Nc1ccc(F)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1)c1ccc(Cl)nc1 ZINC001164968083 722076672 /nfs/dbraw/zinc/07/66/72/722076672.db2.gz PQTVHHXPYGVMOS-CALCHBBNSA-N 1 1 466.966 2.974 20 0 JFADMO O=S(=O)(Nc1ccc(F)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1)c1ccc(Cl)nc1 ZINC001164968083 722076673 /nfs/dbraw/zinc/07/66/73/722076673.db2.gz PQTVHHXPYGVMOS-CALCHBBNSA-N 1 1 466.966 2.974 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)c2)CC1 ZINC001164970347 722082467 /nfs/dbraw/zinc/08/24/67/722082467.db2.gz WUXGYAAEPUKXIS-BJKOFHAPSA-N 1 1 468.573 2.948 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981887 722127543 /nfs/dbraw/zinc/12/75/43/722127543.db2.gz VKDMSFJGAZIKDA-CRAIPNDOSA-N 1 1 456.934 2.520 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980301 722133220 /nfs/dbraw/zinc/13/32/20/722133220.db2.gz MPLCKHQILDRGBQ-KNQAVFIVSA-N 1 1 453.587 2.681 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983776 722134744 /nfs/dbraw/zinc/13/47/44/722134744.db2.gz UURUVPIHAMPOFX-NZQKXSOJSA-N 1 1 495.605 2.795 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976131 722137884 /nfs/dbraw/zinc/13/78/84/722137884.db2.gz HJPPWULXDOUWGA-NVXWUHKLSA-N 1 1 456.934 2.520 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974193 722144197 /nfs/dbraw/zinc/14/41/97/722144197.db2.gz CMNUEPWHSCHMKL-GGAORHGYSA-N 1 1 473.643 2.528 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971102 722153181 /nfs/dbraw/zinc/15/31/81/722153181.db2.gz AQSBOCKIYATXQA-IRXDYDNUSA-N 1 1 452.937 2.863 20 0 JFADMO Clc1ccc(C[NH+]2CCCC2)c(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)n1 ZINC001164992006 722172961 /nfs/dbraw/zinc/17/29/61/722172961.db2.gz ZRMFSJHOORLFHK-IBGZPJMESA-N 1 1 454.962 2.871 20 0 JFADMO COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)n2)CC1 ZINC001164993209 722184217 /nfs/dbraw/zinc/18/42/17/722184217.db2.gz VPNKUAMHZXJGGG-SFTDATJTSA-N 1 1 486.642 2.501 20 0 JFADMO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164995730 722218239 /nfs/dbraw/zinc/21/82/39/722218239.db2.gz KHEPZWZICVHRSK-NDEPHWFRSA-N 1 1 497.603 2.862 20 0 JFADMO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164995730 722218242 /nfs/dbraw/zinc/21/82/42/722218242.db2.gz KHEPZWZICVHRSK-NDEPHWFRSA-N 1 1 497.603 2.862 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)CC1 ZINC001165002760 722240387 /nfs/dbraw/zinc/24/03/87/722240387.db2.gz YKFLNWXKXARMSB-UHFFFAOYSA-N 1 1 459.328 2.960 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002753 722241972 /nfs/dbraw/zinc/24/19/72/722241972.db2.gz FVEJXHRINLQEFW-SIKLNZKXSA-N 1 1 460.586 2.681 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999825 722247221 /nfs/dbraw/zinc/24/72/21/722247221.db2.gz CTFVDGXDQHIFEA-RCZVLFRGSA-N 1 1 452.603 2.921 20 0 JFADMO COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCOCC1 ZINC001299739910 1059473110 /nfs/dbraw/zinc/47/31/10/1059473110.db2.gz SEZMEDZMBSESFH-UHFFFAOYSA-N 1 1 498.619 2.542 20 0 JFADMO Cc1cc(NC(=O)c2cc(C[NH+](C)C)on2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC001264360135 1059585480 /nfs/dbraw/zinc/58/54/80/1059585480.db2.gz KRBIAUPWDRNJFU-UHFFFAOYSA-N 1 1 456.524 2.953 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2cccnc2Br)ccc1F ZINC001264564885 1059615204 /nfs/dbraw/zinc/61/52/04/1059615204.db2.gz JMLOMWXVUKDJOQ-UHFFFAOYSA-N 1 1 451.296 2.896 20 0 JFADMO CN(C)[C@@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC001264953369 1059737363 /nfs/dbraw/zinc/73/73/63/1059737363.db2.gz CFXDRAGMSJLPOB-HSZRJFAPSA-N 1 1 458.006 2.792 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC001265122736 1059772388 /nfs/dbraw/zinc/77/23/88/1059772388.db2.gz QIFOCYFJZNAOST-UHFFFAOYSA-N 1 1 454.384 2.924 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c(C(F)(F)F)nc4n3CCCC4)CC2)CC1 ZINC001265124277 1059772955 /nfs/dbraw/zinc/77/29/55/1059772955.db2.gz YAOKGJDNJNUIIS-UHFFFAOYSA-N 1 1 455.525 2.645 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001265393785 1059842150 /nfs/dbraw/zinc/84/21/50/1059842150.db2.gz IRYGYTIZWNABDH-RZPHLTDDSA-N 1 1 450.583 2.542 20 0 JFADMO CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836854 1059933198 /nfs/dbraw/zinc/93/31/98/1059933198.db2.gz QCDMQAZERUSZDV-XZOQPEGZSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836854 1059933216 /nfs/dbraw/zinc/93/32/16/1059933216.db2.gz QCDMQAZERUSZDV-XZOQPEGZSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837631 1059934172 /nfs/dbraw/zinc/93/41/72/1059934172.db2.gz ZSUQFSATLAYUDO-FYYLOGMGSA-N 1 1 450.514 2.781 20 0 JFADMO CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837631 1059934200 /nfs/dbraw/zinc/93/42/00/1059934200.db2.gz ZSUQFSATLAYUDO-FYYLOGMGSA-N 1 1 450.514 2.781 20 0 JFADMO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001265876960 1059939204 /nfs/dbraw/zinc/93/92/04/1059939204.db2.gz TVPCGMDRRVJFAB-LJQANCHMSA-N 1 1 453.052 2.916 20 0 JFADMO C[C@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC001265984550 1059953393 /nfs/dbraw/zinc/95/33/93/1059953393.db2.gz AHPBOBQFYABWNN-KSSFIOAISA-N 1 1 457.356 2.730 20 0 JFADMO C[C@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001265984550 1059953412 /nfs/dbraw/zinc/95/34/12/1059953412.db2.gz AHPBOBQFYABWNN-KSSFIOAISA-N 1 1 457.356 2.730 20 0 JFADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC001279860430 1059996337 /nfs/dbraw/zinc/99/63/37/1059996337.db2.gz YDJJQLHEILEAAS-MRXNPFEDSA-N 1 1 451.976 2.603 20 0 JFADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC001279860430 1059996361 /nfs/dbraw/zinc/99/63/61/1059996361.db2.gz YDJJQLHEILEAAS-MRXNPFEDSA-N 1 1 451.976 2.603 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@H+](C)C(C)C)CC1 ZINC001286842142 1061112832 /nfs/dbraw/zinc/11/28/32/1061112832.db2.gz RJSMSPXENGZLET-JOCHJYFZSA-N 1 1 456.591 2.578 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286843283 1061121112 /nfs/dbraw/zinc/12/11/12/1061121112.db2.gz MOJKANDBFLOJQO-OAQYLSRUSA-N 1 1 495.672 2.758 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286847915 1061161999 /nfs/dbraw/zinc/16/19/99/1061161999.db2.gz DNNICVWUDPOMLK-PMOQBDJRSA-N 1 1 454.619 2.607 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286849051 1061167351 /nfs/dbraw/zinc/16/73/51/1061167351.db2.gz SZYLLRCEKRNQOG-NHCUHLMSSA-N 1 1 472.609 2.626 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286849519 1061173465 /nfs/dbraw/zinc/17/34/65/1061173465.db2.gz CWJOBEBFYZHCAW-DEOSSOPVSA-N 1 1 461.614 2.701 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@H+](C)C(C)C)C1 ZINC001286849741 1061174293 /nfs/dbraw/zinc/17/42/93/1061174293.db2.gz XVZFJYJTJWNVMU-OAQYLSRUSA-N 1 1 464.618 2.776 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286850637 1061179631 /nfs/dbraw/zinc/17/96/31/1061179631.db2.gz HQHKHBTYQXVRTF-ZDXQCDESSA-N 1 1 482.673 2.981 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001289583525 1061227684 /nfs/dbraw/zinc/22/76/84/1061227684.db2.gz FMZGZXKPORLXDR-LJQANCHMSA-N 1 1 478.663 2.829 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001289585292 1061229456 /nfs/dbraw/zinc/22/94/56/1061229456.db2.gz LVQDYKCCLWJYMH-QUCCMNQESA-N 1 1 478.663 2.733 20 0 JFADMO Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001289592781 1061234374 /nfs/dbraw/zinc/23/43/74/1061234374.db2.gz QQMZILGWAMXNHS-NRFANRHFSA-N 1 1 488.633 2.998 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001289593702 1061235652 /nfs/dbraw/zinc/23/56/52/1061235652.db2.gz GIBJGCWLKJXOMB-IBGZPJMESA-N 1 1 474.606 2.920 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289593945 1061235931 /nfs/dbraw/zinc/23/59/31/1061235931.db2.gz JMSMOVSCLUBZKA-FQEVSTJZSA-N 1 1 458.607 2.508 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001289602545 1061248846 /nfs/dbraw/zinc/24/88/46/1061248846.db2.gz SRTZPNVGVCLWNE-QGZVFWFLSA-N 1 1 476.423 2.570 20 0 JFADMO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)o1 ZINC001289616362 1061256814 /nfs/dbraw/zinc/25/68/14/1061256814.db2.gz ZJZDAXMMJMEHBV-ZVZYQTTQSA-N 1 1 450.609 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C)CC1 ZINC001286868937 1061259441 /nfs/dbraw/zinc/25/94/41/1061259441.db2.gz CRFXISLRXZZIMV-IIBYNOLFSA-N 1 1 480.535 2.912 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@](=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001286869445 1061261847 /nfs/dbraw/zinc/26/18/47/1061261847.db2.gz FAYHULUYWFRUMU-HCALTAMKSA-N 1 1 492.734 2.862 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286870544 1061267058 /nfs/dbraw/zinc/26/70/58/1061267058.db2.gz BXVPSWSMSZAZGQ-TZIWHRDSSA-N 1 1 488.608 2.583 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286871192 1061271316 /nfs/dbraw/zinc/27/13/16/1061271316.db2.gz MREQZFMAEKBXCG-WBWMCNGVSA-N 1 1 499.704 2.850 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001286871422 1061271855 /nfs/dbraw/zinc/27/18/55/1061271855.db2.gz NZPIOFZAQCNMQL-NQIIRXRSSA-N 1 1 493.578 2.985 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871424 1061271914 /nfs/dbraw/zinc/27/19/14/1061271914.db2.gz NZPIOFZAQCNMQL-RXVVDRJESA-N 1 1 493.578 2.985 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@H]2C)CC1 ZINC001286872370 1061278248 /nfs/dbraw/zinc/27/82/48/1061278248.db2.gz UYFVKNMTXBDGCZ-DENIHFKCSA-N 1 1 453.635 2.592 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)C[C@@H]2C)CC1 ZINC001286872768 1061281231 /nfs/dbraw/zinc/28/12/31/1061281231.db2.gz XQVYOALHGMXOHD-UWUFEASWSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001286872908 1061283023 /nfs/dbraw/zinc/28/30/23/1061283023.db2.gz VXUWMOYLAGMIPY-ZCNNSNEGSA-N 1 1 488.608 2.583 20 0 JFADMO Cc1ccc(Cn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c(=O)n1C ZINC001289691106 1061302107 /nfs/dbraw/zinc/30/21/07/1061302107.db2.gz RWEBFBNMMWNEDD-UHFFFAOYSA-N 1 1 456.635 2.613 20 0 JFADMO Cc1ccc(Cn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c(=O)n1C ZINC001289691106 1061302119 /nfs/dbraw/zinc/30/21/19/1061302119.db2.gz RWEBFBNMMWNEDD-UHFFFAOYSA-N 1 1 456.635 2.613 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1C ZINC001289713688 1061320816 /nfs/dbraw/zinc/32/08/16/1061320816.db2.gz BCPATJMTZPTKDV-DEOSSOPVSA-N 1 1 497.688 2.597 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(O)cc3)C[C@@H]2C)CC1 ZINC001286886096 1061326920 /nfs/dbraw/zinc/32/69/20/1061326920.db2.gz ASGGKSZCRYOBAN-AVRDEDQJSA-N 1 1 454.619 2.513 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[C@](C)(O)c3ccccc3)C[C@@H]2C)CC1 ZINC001286886992 1061332828 /nfs/dbraw/zinc/33/28/28/1061332828.db2.gz LPYRDOZQYSKDOQ-WBWMCNGVSA-N 1 1 482.673 2.763 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[C@@](C)(O)c3ccccc3)C[C@@H]2C)CC1 ZINC001286886993 1061332867 /nfs/dbraw/zinc/33/28/67/1061332867.db2.gz LPYRDOZQYSKDOQ-YEEURNOCSA-N 1 1 482.673 2.763 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4c(F)cccc4F)n3CC(C)C)C[C@@H]2C)CC1 ZINC001286887079 1061333476 /nfs/dbraw/zinc/33/34/76/1061333476.db2.gz MQUWBOOBGAWGOE-HTAPYJJXSA-N 1 1 460.573 2.792 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286887021 1061333519 /nfs/dbraw/zinc/33/35/19/1061333519.db2.gz LYIFCNXSVLJCJI-ZJSXRUAMSA-N 1 1 483.661 2.782 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286887033 1061333562 /nfs/dbraw/zinc/33/35/62/1061333562.db2.gz MEOWIODYOFRZLZ-WMZHIEFXSA-N 1 1 486.636 2.812 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286887137 1061334166 /nfs/dbraw/zinc/33/41/66/1061334166.db2.gz NSGVRQPIQOORGV-DZRGJMJISA-N 1 1 462.683 2.752 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C[C@@H]2C)CC1 ZINC001286887192 1061334338 /nfs/dbraw/zinc/33/43/38/1061334338.db2.gz OOXFCRQQHXSTQJ-KXBFYZLASA-N 1 1 478.439 2.681 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC(C)C)cc3)C[C@@H]2C)CC1 ZINC001286887160 1061334507 /nfs/dbraw/zinc/33/45/07/1061334507.db2.gz OCZRJTAVKZNXDN-YADARESESA-N 1 1 454.619 2.658 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289726484 1061334840 /nfs/dbraw/zinc/33/48/40/1061334840.db2.gz IZULSPXJUIMULG-IBGZPJMESA-N 1 1 455.607 2.544 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289726512 1061334993 /nfs/dbraw/zinc/33/49/93/1061334993.db2.gz SVUKCBZWFKHODI-SIKLNZKXSA-N 1 1 484.645 2.978 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289726515 1061335492 /nfs/dbraw/zinc/33/54/92/1061335492.db2.gz SVUKCBZWFKHODI-UGKGYDQZSA-N 1 1 484.645 2.978 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289727926 1061337110 /nfs/dbraw/zinc/33/71/10/1061337110.db2.gz WFCJMKOYTMEEKB-UHFFFAOYSA-N 1 1 476.647 2.502 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286887829 1061338881 /nfs/dbraw/zinc/33/88/81/1061338881.db2.gz UVUNBHZZSDIDCI-DNVCBOLYSA-N 1 1 497.591 2.890 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cc(F)c(F)c3F)C[C@H]2C)CC1 ZINC001286888012 1061339326 /nfs/dbraw/zinc/33/93/26/1061339326.db2.gz WBMIYMUWSBABKI-AUUYWEPGSA-N 1 1 482.526 2.995 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001289733503 1061343959 /nfs/dbraw/zinc/34/39/59/1061343959.db2.gz UNWBRKSHDJCGNM-DFBJGRDBSA-N 1 1 479.585 2.745 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735787 1061348196 /nfs/dbraw/zinc/34/81/96/1061348196.db2.gz SSOPUBDXFMVDPQ-UZUQRXQVSA-N 1 1 462.545 2.695 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001286889815 1061351520 /nfs/dbraw/zinc/35/15/20/1061351520.db2.gz MLBUWFMBIYPUKP-IAGOWNOFSA-N 1 1 492.466 2.693 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001289739093 1061352392 /nfs/dbraw/zinc/35/23/92/1061352392.db2.gz HEPYDORZCMIUGU-AZUAARDMSA-N 1 1 479.585 2.745 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001289740420 1061354688 /nfs/dbraw/zinc/35/46/88/1061354688.db2.gz OIRHPBFGLVQZIN-UHFFFAOYSA-N 1 1 483.661 2.648 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001289741939 1061357314 /nfs/dbraw/zinc/35/73/14/1061357314.db2.gz YCUNTEWUCODSQU-UHFFFAOYSA-N 1 1 469.634 2.840 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001286891441 1061360467 /nfs/dbraw/zinc/36/04/67/1061360467.db2.gz XQRRKLKHYRRMOM-CABCVRRESA-N 1 1 496.479 2.530 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001286891620 1061360887 /nfs/dbraw/zinc/36/08/87/1061360887.db2.gz LMNGVMHHJPEWIW-UHFFFAOYSA-N 1 1 498.035 2.707 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001289744086 1061361289 /nfs/dbraw/zinc/36/12/89/1061361289.db2.gz UXVIJTVYYBANML-BKMJKUGQSA-N 1 1 484.645 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001289744086 1061361306 /nfs/dbraw/zinc/36/13/06/1061361306.db2.gz UXVIJTVYYBANML-BKMJKUGQSA-N 1 1 484.645 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001289746324 1061363550 /nfs/dbraw/zinc/36/35/50/1061363550.db2.gz GWDUVCJMOQUHNH-LEWJYISDSA-N 1 1 470.618 2.873 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001286892298 1061364060 /nfs/dbraw/zinc/36/40/60/1061364060.db2.gz USRLEKHQUBHRPG-HNNXBMFYSA-N 1 1 467.401 2.641 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cn1 ZINC001286892998 1061367324 /nfs/dbraw/zinc/36/73/24/1061367324.db2.gz BZESFGONLXUUIP-KRWDZBQOSA-N 1 1 496.641 2.763 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748079 1061367573 /nfs/dbraw/zinc/36/75/73/1061367573.db2.gz WXKJLHFHOPBGED-CDMIOBSGSA-N 1 1 480.535 2.848 20 0 JFADMO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)CC2)nc1 ZINC001289750322 1061371438 /nfs/dbraw/zinc/37/14/38/1061371438.db2.gz FGRVHGZJDXEBGJ-QFIPXVFZSA-N 1 1 483.661 2.882 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001289750634 1061372057 /nfs/dbraw/zinc/37/20/57/1061372057.db2.gz ITELUXMRIANLBB-OAQYLSRUSA-N 1 1 483.661 2.902 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC001286894978 1061373693 /nfs/dbraw/zinc/37/36/93/1061373693.db2.gz MPTLRNDMHCZDND-UHFFFAOYSA-N 1 1 457.623 2.673 20 0 JFADMO CC(=O)Nc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC001286894998 1061373883 /nfs/dbraw/zinc/37/38/83/1061373883.db2.gz DCEZXAHIHVQKQC-NRFANRHFSA-N 1 1 485.633 2.716 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286896400 1061379596 /nfs/dbraw/zinc/37/95/96/1061379596.db2.gz DBUSGTZPBQGLGE-ITAUSPCMSA-N 1 1 496.660 2.929 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)c1 ZINC001286896997 1061380912 /nfs/dbraw/zinc/38/09/12/1061380912.db2.gz KPUCPHMWMUSJHU-MBSDFSHPSA-N 1 1 481.645 2.571 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(N3C[C@@H](C)[C@@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)c1 ZINC001286896996 1061381107 /nfs/dbraw/zinc/38/11/07/1061381107.db2.gz KPUCPHMWMUSJHU-JPYJTQIMSA-N 1 1 481.645 2.571 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001286898737 1061387353 /nfs/dbraw/zinc/38/73/53/1061387353.db2.gz VXZDLLXIHFQKPT-KDURUIRLSA-N 1 1 465.602 2.836 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001286898737 1061387368 /nfs/dbraw/zinc/38/73/68/1061387368.db2.gz VXZDLLXIHFQKPT-KDURUIRLSA-N 1 1 465.602 2.836 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1 ZINC001289772387 1061393474 /nfs/dbraw/zinc/39/34/74/1061393474.db2.gz HNHINUXDTVYSNH-SFHVURJKSA-N 1 1 468.627 2.985 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1 ZINC001289772387 1061393487 /nfs/dbraw/zinc/39/34/87/1061393487.db2.gz HNHINUXDTVYSNH-SFHVURJKSA-N 1 1 468.627 2.985 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001289774574 1061396578 /nfs/dbraw/zinc/39/65/78/1061396578.db2.gz RZQLAYOOKWVTFU-WOJBJXKFSA-N 1 1 463.648 2.828 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286904524 1061410156 /nfs/dbraw/zinc/41/01/56/1061410156.db2.gz VMQYOZNLKILKGH-NLMOZGTASA-N 1 1 456.639 2.506 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289802170 1061437693 /nfs/dbraw/zinc/43/76/93/1061437693.db2.gz GRIGOGDINLKWNE-CPJSRVTESA-N 1 1 454.619 2.988 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289810590 1061455484 /nfs/dbraw/zinc/45/54/84/1061455484.db2.gz VJDJBEHNESZJIL-RTWAWAEBSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289810590 1061455502 /nfs/dbraw/zinc/45/55/02/1061455502.db2.gz VJDJBEHNESZJIL-RTWAWAEBSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289812941 1061463758 /nfs/dbraw/zinc/46/37/58/1061463758.db2.gz XWEGBHDUZVSCAR-PZJWPPBQSA-N 1 1 454.619 2.988 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911721 1061464818 /nfs/dbraw/zinc/46/48/18/1061464818.db2.gz KUWXQGOZGHMXGN-NOZRDPDXSA-N 1 1 498.672 2.936 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911723 1061464850 /nfs/dbraw/zinc/46/48/50/1061464850.db2.gz KUWXQGOZGHMXGN-ZCYQVOJMSA-N 1 1 498.672 2.936 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001289814477 1061469333 /nfs/dbraw/zinc/46/93/33/1061469333.db2.gz SVURHOISMBXZAF-DENIHFKCSA-N 1 1 484.645 2.534 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289814479 1061469386 /nfs/dbraw/zinc/46/93/86/1061469386.db2.gz SVURHOISMBXZAF-SIKLNZKXSA-N 1 1 484.645 2.534 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289814480 1061470108 /nfs/dbraw/zinc/47/01/08/1061470108.db2.gz SVURHOISMBXZAF-UGKGYDQZSA-N 1 1 484.645 2.534 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001286914349 1061481975 /nfs/dbraw/zinc/48/19/75/1061481975.db2.gz XBKVKXRMUDNOAP-RXVVDRJESA-N 1 1 460.648 2.536 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001289824426 1061490550 /nfs/dbraw/zinc/49/05/50/1061490550.db2.gz KETKFNJZTFRCFT-UHFFFAOYSA-N 1 1 469.678 2.722 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001289824426 1061490559 /nfs/dbraw/zinc/49/05/59/1061490559.db2.gz KETKFNJZTFRCFT-UHFFFAOYSA-N 1 1 469.678 2.722 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286916766 1061501308 /nfs/dbraw/zinc/50/13/08/1061501308.db2.gz SSSWHCOCTKANPZ-SFHVURJKSA-N 1 1 491.036 2.899 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289832998 1061509402 /nfs/dbraw/zinc/50/94/02/1061509402.db2.gz CIEPGQUCQDQONJ-NQIIRXRSSA-N 1 1 475.659 2.829 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286922337 1061521859 /nfs/dbraw/zinc/52/18/59/1061521859.db2.gz UHZJIXVEXORLRJ-POAQFYNOSA-N 1 1 489.665 2.636 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286922313 1061521892 /nfs/dbraw/zinc/52/18/92/1061521892.db2.gz SFZICDVEKOCXLD-KRWDZBQOSA-N 1 1 476.423 2.650 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001286923332 1061525671 /nfs/dbraw/zinc/52/56/71/1061525671.db2.gz JKNJUKOGHSJRJD-ISKFKSNPSA-N 1 1 495.672 2.549 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001289854934 1061526685 /nfs/dbraw/zinc/52/66/85/1061526685.db2.gz QEKJUPFMJLZVRS-LJQANCHMSA-N 1 1 485.658 2.758 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)C1 ZINC001286924022 1061528974 /nfs/dbraw/zinc/52/89/74/1061528974.db2.gz DNXUTGXLILARCB-HXUWFJFHSA-N 1 1 470.618 2.799 20 0 JFADMO C[N@H+]1C[C@@]23CN(C(=O)CS(=O)(=O)Cc4cccc(Br)c4)C[C@]2(C1)CCCC3 ZINC001289857612 1061540069 /nfs/dbraw/zinc/54/00/69/1061540069.db2.gz CGBWNHFSKUODDM-BGYRXZFFSA-N 1 1 455.418 2.698 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286927079 1061543553 /nfs/dbraw/zinc/54/35/53/1061543553.db2.gz QGJKXUMPXVPZIZ-IBGZPJMESA-N 1 1 481.645 2.982 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286927091 1061543588 /nfs/dbraw/zinc/54/35/88/1061543588.db2.gz QTUSEQCHBWGUQH-KDURUIRLSA-N 1 1 475.682 2.525 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286929195 1061550890 /nfs/dbraw/zinc/55/08/90/1061550890.db2.gz NGHMBZNOHXKVOC-DNQXCXABSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286929658 1061552005 /nfs/dbraw/zinc/55/20/05/1061552005.db2.gz QAZUNEQPWLHHRI-FYYLOGMGSA-N 1 1 468.646 2.984 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2ncn(C)n2)cc1 ZINC001289878628 1061562654 /nfs/dbraw/zinc/56/26/54/1061562654.db2.gz GWYNBYASGCYICI-UHFFFAOYSA-N 1 1 470.647 2.603 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286933047 1061564496 /nfs/dbraw/zinc/56/44/96/1061564496.db2.gz RQNKNUMYVACDEN-HDICACEKSA-N 1 1 490.052 2.845 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001289880137 1061566453 /nfs/dbraw/zinc/56/64/53/1061566453.db2.gz ZEFORUJRAQWERI-HXUWFJFHSA-N 1 1 472.659 2.658 20 0 JFADMO CCC[C@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294092294 1061572181 /nfs/dbraw/zinc/57/21/81/1061572181.db2.gz WDVLCTIMCFAETM-INIZCTEOSA-N 1 1 455.529 2.829 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001286935778 1061575235 /nfs/dbraw/zinc/57/52/35/1061575235.db2.gz SXRZYOUHIYNXBI-UHFFFAOYSA-N 1 1 457.529 2.705 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001289890808 1061576333 /nfs/dbraw/zinc/57/63/33/1061576333.db2.gz XUQLHOBSNYYXDA-QFIPXVFZSA-N 1 1 454.619 2.831 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC[N@H+]1CCOC ZINC001294097820 1061576947 /nfs/dbraw/zinc/57/69/47/1061576947.db2.gz CYOBVHNQUNCSTL-BHDDXSALSA-N 1 1 473.666 2.916 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CCO1 ZINC001286936156 1061577338 /nfs/dbraw/zinc/57/73/38/1061577338.db2.gz BLBBVFWUVNXLCG-UGKGYDQZSA-N 1 1 481.601 2.581 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001294102733 1061583161 /nfs/dbraw/zinc/58/31/61/1061583161.db2.gz FPGSPAZFZPZWFD-RTBURBONSA-N 1 1 496.454 2.726 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286942214 1061593426 /nfs/dbraw/zinc/59/34/26/1061593426.db2.gz IGJGMGXTSSVLIF-AGILITTLSA-N 1 1 484.645 2.772 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286942222 1061593476 /nfs/dbraw/zinc/59/34/76/1061593476.db2.gz IGJGMGXTSSVLIF-ZTCOLXNVSA-N 1 1 484.645 2.772 20 0 JFADMO CCCCCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC001294115808 1061597313 /nfs/dbraw/zinc/59/73/13/1061597313.db2.gz LDEGUIRSCCBCGP-FQEVSTJZSA-N 1 1 468.712 2.611 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001289909110 1061598050 /nfs/dbraw/zinc/59/80/50/1061598050.db2.gz LNLCGDUZOGDXBX-QGZVFWFLSA-N 1 1 480.598 2.698 20 0 JFADMO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294117352 1061599365 /nfs/dbraw/zinc/59/93/65/1061599365.db2.gz WOJVKSQAILLYCX-UGKGYDQZSA-N 1 1 475.682 2.766 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001286943253 1061599978 /nfs/dbraw/zinc/59/99/78/1061599978.db2.gz ZMHJSCSWJREZMX-MRXNPFEDSA-N 1 1 499.479 2.841 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001286943259 1061600007 /nfs/dbraw/zinc/60/00/07/1061600007.db2.gz ZOKZXHVZQCEGMS-QHCPKHFHSA-N 1 1 466.630 2.846 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289922338 1061615138 /nfs/dbraw/zinc/61/51/38/1061615138.db2.gz NDCJNWBVVZLCAS-KDURUIRLSA-N 1 1 452.607 2.906 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001294139708 1061626181 /nfs/dbraw/zinc/62/61/81/1061626181.db2.gz OPGSWLQZCSXUSK-FJTGNWTPSA-N 1 1 455.599 2.995 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286946260 1061632925 /nfs/dbraw/zinc/63/29/25/1061632925.db2.gz ZJNBXORKMMWDEH-COPCDDAFSA-N 1 1 491.036 2.817 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286948246 1061655205 /nfs/dbraw/zinc/65/52/05/1061655205.db2.gz VAVOAHGFVZKWHL-IBGZPJMESA-N 1 1 481.066 2.905 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948671 1061661732 /nfs/dbraw/zinc/66/17/32/1061661732.db2.gz ZYPLIZPXZTXWSQ-OTNCWRBYSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001286948770 1061663924 /nfs/dbraw/zinc/66/39/24/1061663924.db2.gz WGEIOPLZLKZIRA-GGAORHGYSA-N 1 1 489.064 2.984 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCCOCC(F)F)n1 ZINC001289972210 1061679942 /nfs/dbraw/zinc/67/99/42/1061679942.db2.gz LJOHECDKIYZVKF-UHFFFAOYSA-N 1 1 474.560 2.766 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001289972292 1061681129 /nfs/dbraw/zinc/68/11/29/1061681129.db2.gz JSEIBXNRROLQSF-UYAOXDASSA-N 1 1 460.648 2.784 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001289973766 1061686446 /nfs/dbraw/zinc/68/64/46/1061686446.db2.gz WUJUONGWTLSQEX-JOCHJYFZSA-N 1 1 483.661 2.580 20 0 JFADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)C1 ZINC001294178161 1061691731 /nfs/dbraw/zinc/69/17/31/1061691731.db2.gz UEEIONNHXLMDMD-GCJKJVERSA-N 1 1 455.521 2.961 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CCC[NH+]2CCOCC2)n1 ZINC001289980340 1061701500 /nfs/dbraw/zinc/70/15/00/1061701500.db2.gz WEZUCSVBCKSSSL-HXUWFJFHSA-N 1 1 485.633 2.816 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001294195301 1061703097 /nfs/dbraw/zinc/70/30/97/1061703097.db2.gz AUDKHHPLWRNASX-KNQAVFIVSA-N 1 1 470.618 2.970 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001294196962 1061704857 /nfs/dbraw/zinc/70/48/57/1061704857.db2.gz SOVCVUHWXDXBMN-FQEVSTJZSA-N 1 1 493.697 2.849 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001294196962 1061704880 /nfs/dbraw/zinc/70/48/80/1061704880.db2.gz SOVCVUHWXDXBMN-FQEVSTJZSA-N 1 1 493.697 2.849 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001294196962 1061704899 /nfs/dbraw/zinc/70/48/99/1061704899.db2.gz SOVCVUHWXDXBMN-FQEVSTJZSA-N 1 1 493.697 2.849 20 0 JFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294204510 1061709061 /nfs/dbraw/zinc/70/90/61/1061709061.db2.gz JXONGZVKONWFRU-QGZVFWFLSA-N 1 1 459.568 2.672 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001294209026 1061711865 /nfs/dbraw/zinc/71/18/65/1061711865.db2.gz MQGIIRIBCUHCQZ-BDTNDASRSA-N 1 1 481.707 2.944 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001294209838 1061713157 /nfs/dbraw/zinc/71/31/57/1061713157.db2.gz BIANNRGZCODVKD-UHFFFAOYSA-N 1 1 495.734 2.899 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289990654 1061714780 /nfs/dbraw/zinc/71/47/80/1061714780.db2.gz BATCGJAZCPQZHY-YADHBBJMSA-N 1 1 472.634 2.636 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC001294210664 1061715702 /nfs/dbraw/zinc/71/57/02/1061715702.db2.gz MOAXHGIXBQPZEN-GOSISDBHSA-N 1 1 459.344 2.941 20 0 JFADMO Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289992662 1061718084 /nfs/dbraw/zinc/71/80/84/1061718084.db2.gz RCSMSAVTCPCXRR-FQEVSTJZSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001289994375 1061719601 /nfs/dbraw/zinc/71/96/01/1061719601.db2.gz UCGIXNYHFSYYMC-IBGZPJMESA-N 1 1 485.633 2.863 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001289994375 1061719613 /nfs/dbraw/zinc/71/96/13/1061719613.db2.gz UCGIXNYHFSYYMC-IBGZPJMESA-N 1 1 485.633 2.863 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001289993829 1061719648 /nfs/dbraw/zinc/71/96/48/1061719648.db2.gz PDNKOIHJENJJTH-IBGZPJMESA-N 1 1 485.633 2.863 20 0 JFADMO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001289997496 1061721243 /nfs/dbraw/zinc/72/12/43/1061721243.db2.gz FVVOTPNCNLRBLL-YADHBBJMSA-N 1 1 454.619 2.913 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294214576 1061723317 /nfs/dbraw/zinc/72/33/17/1061723317.db2.gz JDBMPPOQGRBCOX-MRXNPFEDSA-N 1 1 450.534 2.945 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc[nH]2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286958008 1061723445 /nfs/dbraw/zinc/72/34/45/1061723445.db2.gz VUBBBEYPXMVNEM-UHFFFAOYSA-N 1 1 485.658 2.897 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc[nH]2)n1CC[N@H+]1CCOCC1(C)C ZINC001286958008 1061723457 /nfs/dbraw/zinc/72/34/57/1061723457.db2.gz VUBBBEYPXMVNEM-UHFFFAOYSA-N 1 1 485.658 2.897 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001294215361 1061724513 /nfs/dbraw/zinc/72/45/13/1061724513.db2.gz SCUIEPIZIJXPMJ-UHFFFAOYSA-N 1 1 472.663 2.525 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCCO2)n1CCn1cc[nH+]c1C ZINC001286958459 1061724930 /nfs/dbraw/zinc/72/49/30/1061724930.db2.gz MXSKVMPSQZRQDG-HXUWFJFHSA-N 1 1 457.604 2.929 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001294216764 1061725436 /nfs/dbraw/zinc/72/54/36/1061725436.db2.gz GGLNYQZQJRHENO-UHFFFAOYSA-N 1 1 486.024 2.851 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294216958 1061726343 /nfs/dbraw/zinc/72/63/43/1061726343.db2.gz MEDWMDZWJHKIIE-SFHVURJKSA-N 1 1 490.450 2.962 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001294216940 1061726747 /nfs/dbraw/zinc/72/67/47/1061726747.db2.gz LVKBOZXSHJWWEW-UHFFFAOYSA-N 1 1 451.978 2.931 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001294217121 1061727082 /nfs/dbraw/zinc/72/70/82/1061727082.db2.gz BFDZXFMHDSDSKB-UHFFFAOYSA-N 1 1 480.592 2.637 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001290002277 1061727142 /nfs/dbraw/zinc/72/71/42/1061727142.db2.gz RWICUKWIRWXROB-RBBKRZOGSA-N 1 1 454.619 2.687 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001290002687 1061728591 /nfs/dbraw/zinc/72/85/91/1061728591.db2.gz VBUNRLDKLPZUKR-CTNGQTDRSA-N 1 1 462.664 2.921 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001294219456 1061731155 /nfs/dbraw/zinc/73/11/55/1061731155.db2.gz ZCDLXEYZPVVPCZ-FQEVSTJZSA-N 1 1 470.618 2.943 20 0 JFADMO COc1ccc([C@H](CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)N2CCCC2)cc1 ZINC001290006140 1061731448 /nfs/dbraw/zinc/73/14/48/1061731448.db2.gz TWIFLUPEQBYVKK-QHCPKHFHSA-N 1 1 451.571 2.879 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294220798 1061731856 /nfs/dbraw/zinc/73/18/56/1061731856.db2.gz PPXVYDFLJMVTFS-UHFFFAOYSA-N 1 1 463.586 2.740 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294221994 1061732597 /nfs/dbraw/zinc/73/25/97/1061732597.db2.gz ZPHXPFLGYMEQEN-HDICACEKSA-N 1 1 463.652 2.584 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294224363 1061735215 /nfs/dbraw/zinc/73/52/15/1061735215.db2.gz RPZWFPJLKFUFGF-SFHVURJKSA-N 1 1 476.651 2.958 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294225066 1061735859 /nfs/dbraw/zinc/73/58/59/1061735859.db2.gz ACAKUQGSOOUKAL-UQBPGWFLSA-N 1 1 491.681 2.826 20 0 JFADMO C[NH+](C)[C@H](CNC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)c1ccccc1Cl ZINC001290013379 1061736302 /nfs/dbraw/zinc/73/63/02/1061736302.db2.gz IUASMOBVDKNVMT-GOSISDBHSA-N 1 1 450.971 2.879 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294225548 1061736342 /nfs/dbraw/zinc/73/63/42/1061736342.db2.gz FHCSGNCVSQVXRR-FCHUYYIVSA-N 1 1 459.660 2.981 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294225307 1061736449 /nfs/dbraw/zinc/73/64/49/1061736449.db2.gz BZWYECHVCOCCIA-OALUTQOASA-N 1 1 450.628 2.960 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294226346 1061739836 /nfs/dbraw/zinc/73/98/36/1061739836.db2.gz SYYHMZZIWYUYAY-VQTJNVASSA-N 1 1 492.665 2.766 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294228080 1061742430 /nfs/dbraw/zinc/74/24/30/1061742430.db2.gz ALEQWRPNPOZKFB-UUOWRZLLSA-N 1 1 477.654 2.784 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001294228923 1061744789 /nfs/dbraw/zinc/74/47/89/1061744789.db2.gz UNTFWBJMFBIPNQ-IBGZPJMESA-N 1 1 458.607 2.886 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294228981 1061745071 /nfs/dbraw/zinc/74/50/71/1061745071.db2.gz KCQGIQKLXOGHNR-DEOSSOPVSA-N 1 1 497.706 2.600 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294229232 1061745980 /nfs/dbraw/zinc/74/59/80/1061745980.db2.gz WSZOATBLYODMRY-UHFFFAOYSA-N 1 1 471.556 2.535 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294230096 1061747146 /nfs/dbraw/zinc/74/71/46/1061747146.db2.gz VLTDPWGXMNRONU-ABSDTBQOSA-N 1 1 463.545 2.818 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001290037037 1061752630 /nfs/dbraw/zinc/75/26/30/1061752630.db2.gz ASQALIRUFFOFID-XFSFLGPDSA-N 1 1 459.660 2.960 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001290043848 1061760433 /nfs/dbraw/zinc/76/04/33/1061760433.db2.gz FGEWWJZDDZBOSQ-AQNXPRMDSA-N 1 1 463.648 2.908 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286974449 1061769292 /nfs/dbraw/zinc/76/92/92/1061769292.db2.gz FYGGNSNLLKHKFJ-SFTDATJTSA-N 1 1 496.681 2.970 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286974449 1061769305 /nfs/dbraw/zinc/76/93/05/1061769305.db2.gz FYGGNSNLLKHKFJ-SFTDATJTSA-N 1 1 496.681 2.970 20 0 JFADMO CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294282003 1061773298 /nfs/dbraw/zinc/77/32/98/1061773298.db2.gz WBBOISKVAPLIHL-VXKWHMMOSA-N 1 1 490.674 2.512 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001286976410 1061783290 /nfs/dbraw/zinc/78/32/90/1061783290.db2.gz ONVYZUMMXDRMKK-GGPKGHCWSA-N 1 1 462.664 2.642 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290064445 1061788984 /nfs/dbraw/zinc/78/89/84/1061788984.db2.gz QYKNMPHYWPRZOS-QHCPKHFHSA-N 1 1 497.644 2.662 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290069667 1061794718 /nfs/dbraw/zinc/79/47/18/1061794718.db2.gz PGBJMTSGQRUPRG-UHFFFAOYSA-N 1 1 490.674 2.512 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001290071220 1061796881 /nfs/dbraw/zinc/79/68/81/1061796881.db2.gz KCRWCSIUOGEWCQ-HXUWFJFHSA-N 1 1 454.619 2.954 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001294309426 1061799274 /nfs/dbraw/zinc/79/92/74/1061799274.db2.gz AQZXBHBMYSXPDQ-HXUWFJFHSA-N 1 1 454.623 2.872 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001294309757 1061800107 /nfs/dbraw/zinc/80/01/07/1061800107.db2.gz YUWBCXCUPBZPMG-JOCHJYFZSA-N 1 1 459.683 2.801 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O ZINC001294309572 1061800309 /nfs/dbraw/zinc/80/03/09/1061800309.db2.gz XPUQCMAEVYKSFX-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)O)CC1 ZINC001290072531 1061800428 /nfs/dbraw/zinc/80/04/28/1061800428.db2.gz BFUPEPSVSUZZOC-UHFFFAOYSA-N 1 1 467.618 2.609 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294310739 1061801829 /nfs/dbraw/zinc/80/18/29/1061801829.db2.gz JAUOAZZRUOINSC-LEWJYISDSA-N 1 1 491.706 2.704 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312136 1061803191 /nfs/dbraw/zinc/80/31/91/1061803191.db2.gz VEVOZRURDMXNSN-NRFANRHFSA-N 1 1 489.690 2.760 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001286979544 1061808023 /nfs/dbraw/zinc/80/80/23/1061808023.db2.gz VIWFFFPBHSWTIZ-SFHLNBCPSA-N 1 1 459.660 2.805 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294315659 1061808445 /nfs/dbraw/zinc/80/84/45/1061808445.db2.gz CKWOWZNAHCNKKY-FYYLOGMGSA-N 1 1 484.645 2.771 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 ZINC001294316330 1061810427 /nfs/dbraw/zinc/81/04/27/1061810427.db2.gz FWBFGXLTLLEKSB-HXUWFJFHSA-N 1 1 470.618 2.847 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294316596 1061811581 /nfs/dbraw/zinc/81/15/81/1061811581.db2.gz HOWLAPWMKXPALI-NHCUHLMSSA-N 1 1 457.623 2.794 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001294317252 1061813156 /nfs/dbraw/zinc/81/31/56/1061813156.db2.gz KLYBFFHPBACXFI-IBGZPJMESA-N 1 1 458.582 2.977 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317211 1061813190 /nfs/dbraw/zinc/81/31/90/1061813190.db2.gz KDVKXPLLFMJKNP-OALUTQOASA-N 1 1 471.654 2.762 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294317471 1061813798 /nfs/dbraw/zinc/81/37/98/1061813798.db2.gz KXSDTXRIDLVCTB-RTBURBONSA-N 1 1 487.674 2.591 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294317469 1061813825 /nfs/dbraw/zinc/81/38/25/1061813825.db2.gz KXSDTXRIDLVCTB-OALUTQOASA-N 1 1 487.674 2.591 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294317288 1061813861 /nfs/dbraw/zinc/81/38/61/1061813861.db2.gz KPEFYBFRRAHQJB-HOYKHHGWSA-N 1 1 487.674 2.626 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294317290 1061814056 /nfs/dbraw/zinc/81/40/56/1061814056.db2.gz KPEFYBFRRAHQJB-KOSHJBKYSA-N 1 1 487.674 2.626 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294317801 1061815646 /nfs/dbraw/zinc/81/56/46/1061815646.db2.gz NDJZYHHKIZSPQH-OAQYLSRUSA-N 1 1 461.655 2.807 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294317819 1061815719 /nfs/dbraw/zinc/81/57/19/1061815719.db2.gz NVPIGEQMBQMIEF-SFHVURJKSA-N 1 1 486.583 2.949 20 0 JFADMO Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290086570 1061819066 /nfs/dbraw/zinc/81/90/66/1061819066.db2.gz SVXSAQYYQULYHT-JOCHJYFZSA-N 1 1 468.646 2.997 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286982502 1061826859 /nfs/dbraw/zinc/82/68/59/1061826859.db2.gz TWXCRPUEKSCCQG-MSOLQXFVSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286982502 1061826875 /nfs/dbraw/zinc/82/68/75/1061826875.db2.gz TWXCRPUEKSCCQG-MSOLQXFVSA-N 1 1 474.606 2.869 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286983000 1061830744 /nfs/dbraw/zinc/83/07/44/1061830744.db2.gz WPMNZBRFVSVMLB-OAQYLSRUSA-N 1 1 483.661 2.506 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286983000 1061830765 /nfs/dbraw/zinc/83/07/65/1061830765.db2.gz WPMNZBRFVSVMLB-OAQYLSRUSA-N 1 1 483.661 2.506 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286983126 1061831824 /nfs/dbraw/zinc/83/18/24/1061831824.db2.gz XVYXUXFYSGXABG-BHDDXSALSA-N 1 1 490.693 2.540 20 0 JFADMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC001290107085 1061834518 /nfs/dbraw/zinc/83/45/18/1061834518.db2.gz HJBOSSBUHPKSJU-UHFFFAOYSA-N 1 1 458.515 2.577 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294327197 1061841220 /nfs/dbraw/zinc/84/12/20/1061841220.db2.gz UOILHJCBHFAYFO-IFMALSPDSA-N 1 1 483.661 2.972 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294327197 1061841239 /nfs/dbraw/zinc/84/12/39/1061841239.db2.gz UOILHJCBHFAYFO-IFMALSPDSA-N 1 1 483.661 2.972 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286984248 1061842002 /nfs/dbraw/zinc/84/20/02/1061842002.db2.gz XPTRWPTYELQAGZ-HCXYKTFWSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001286984248 1061842014 /nfs/dbraw/zinc/84/20/14/1061842014.db2.gz XPTRWPTYELQAGZ-HCXYKTFWSA-N 1 1 455.669 2.898 20 0 JFADMO C[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2I)CC1 ZINC001290113587 1061842970 /nfs/dbraw/zinc/84/29/70/1061842970.db2.gz SURGYCWCLUFQQP-HNNXBMFYSA-N 1 1 459.328 2.631 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001294330785 1061850146 /nfs/dbraw/zinc/85/01/46/1061850146.db2.gz AFJIGGXPGHCYIT-FNAHDJPLSA-N 1 1 476.666 2.619 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294330856 1061851154 /nfs/dbraw/zinc/85/11/54/1061851154.db2.gz BKUMZECXEAFBBG-BHIFYINESA-N 1 1 487.693 2.767 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290120987 1061851038 /nfs/dbraw/zinc/85/10/38/1061851038.db2.gz QSVUCEPZEQKFOV-OAQYLSRUSA-N 1 1 454.619 2.845 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290121123 1061851721 /nfs/dbraw/zinc/85/17/21/1061851721.db2.gz SOBVVTZAGQDHJS-HXUWFJFHSA-N 1 1 475.659 2.624 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCn2cc[nH+]c2C)C1 ZINC001294331158 1061852285 /nfs/dbraw/zinc/85/22/85/1061852285.db2.gz SBJHOCBZGWFNET-TYPHKJRUSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001290125016 1061855116 /nfs/dbraw/zinc/85/51/16/1061855116.db2.gz KFMHISWBJAWRHT-PMACEKPBSA-N 1 1 460.648 2.503 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294331868 1061855572 /nfs/dbraw/zinc/85/55/72/1061855572.db2.gz HDUXAQRZWHAZTC-WHCXKFMVSA-N 1 1 482.673 2.651 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294332912 1061862374 /nfs/dbraw/zinc/86/23/74/1061862374.db2.gz LGRZWQSSJMFMEG-XXAUWVGASA-N 1 1 498.672 2.753 20 0 JFADMO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001290142789 1061876313 /nfs/dbraw/zinc/87/63/13/1061876313.db2.gz LWPWLIXNYVMISK-IBGZPJMESA-N 1 1 451.608 2.554 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294339172 1061882637 /nfs/dbraw/zinc/88/26/37/1061882637.db2.gz ZBHBCRIYSDSJEI-CTNGQTDRSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294339172 1061882651 /nfs/dbraw/zinc/88/26/51/1061882651.db2.gz ZBHBCRIYSDSJEI-CTNGQTDRSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001294340932 1061886071 /nfs/dbraw/zinc/88/60/71/1061886071.db2.gz AULCZKIIEPGRBG-PWRODBHTSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001290147288 1061890120 /nfs/dbraw/zinc/89/01/20/1061890120.db2.gz MKOWOHWGUFXJST-UHFFFAOYSA-N 1 1 456.635 2.639 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001290147288 1061890133 /nfs/dbraw/zinc/89/01/33/1061890133.db2.gz MKOWOHWGUFXJST-UHFFFAOYSA-N 1 1 456.635 2.639 20 0 JFADMO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOCC2(C)C)cnn1C ZINC001290151301 1061892531 /nfs/dbraw/zinc/89/25/31/1061892531.db2.gz SONRWNPWMLFCPJ-UHFFFAOYSA-N 1 1 451.619 2.966 20 0 JFADMO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOCC2(C)C)cnn1C ZINC001290151301 1061892548 /nfs/dbraw/zinc/89/25/48/1061892548.db2.gz SONRWNPWMLFCPJ-UHFFFAOYSA-N 1 1 451.619 2.966 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001286991962 1061893239 /nfs/dbraw/zinc/89/32/39/1061893239.db2.gz YPUXXMPUKGYYTC-GOSISDBHSA-N 1 1 490.599 2.782 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294343098 1061894839 /nfs/dbraw/zinc/89/48/39/1061894839.db2.gz UWTHMBWXILSNLN-LJQANCHMSA-N 1 1 457.623 2.517 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294343098 1061894858 /nfs/dbraw/zinc/89/48/58/1061894858.db2.gz UWTHMBWXILSNLN-LJQANCHMSA-N 1 1 457.623 2.517 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)N(C)C ZINC001290164037 1061903526 /nfs/dbraw/zinc/90/35/26/1061903526.db2.gz GTJIOYSQQKEXLJ-OYRHEFFESA-N 1 1 468.646 2.591 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001286995669 1061907692 /nfs/dbraw/zinc/90/76/92/1061907692.db2.gz OKUFTRZNSDJTKV-OAHLLOKOSA-N 1 1 467.540 2.930 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001290166830 1061910369 /nfs/dbraw/zinc/91/03/69/1061910369.db2.gz LBPRUGKSSHWTIE-YADHBBJMSA-N 1 1 488.702 2.769 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290170395 1061913102 /nfs/dbraw/zinc/91/31/02/1061913102.db2.gz ATWHOASPHYTWKH-UHFFFAOYSA-N 1 1 482.673 2.983 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290170395 1061913115 /nfs/dbraw/zinc/91/31/15/1061913115.db2.gz ATWHOASPHYTWKH-UHFFFAOYSA-N 1 1 482.673 2.983 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC001290171737 1061916505 /nfs/dbraw/zinc/91/65/05/1061916505.db2.gz NCYDTXWORPAAMZ-OAQYLSRUSA-N 1 1 455.555 2.871 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287001318 1061916936 /nfs/dbraw/zinc/91/69/36/1061916936.db2.gz YDBZXRNNTNLAMZ-QGZVFWFLSA-N 1 1 478.041 2.914 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290173097 1061917847 /nfs/dbraw/zinc/91/78/47/1061917847.db2.gz JATYPVNEPZCQIX-JOCHJYFZSA-N 1 1 488.702 2.769 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287004842 1061923229 /nfs/dbraw/zinc/92/32/29/1061923229.db2.gz CDTHQELNLHDQOK-HXUWFJFHSA-N 1 1 474.675 2.836 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001287007107 1061929916 /nfs/dbraw/zinc/92/99/16/1061929916.db2.gz PSFHGMJTVISISZ-UHFFFAOYSA-N 1 1 487.693 2.503 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001287007107 1061929941 /nfs/dbraw/zinc/92/99/41/1061929941.db2.gz PSFHGMJTVISISZ-UHFFFAOYSA-N 1 1 487.693 2.503 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287007375 1061930621 /nfs/dbraw/zinc/93/06/21/1061930621.db2.gz UNBNPTXJUJIETR-OAQYLSRUSA-N 1 1 474.675 2.569 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294359817 1061932294 /nfs/dbraw/zinc/93/22/94/1061932294.db2.gz TVYCDJWVSZXQEM-RZUBCFFCSA-N 1 1 490.693 2.803 20 0 JFADMO Cc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[NH+]1CCOCC1 ZINC001290189489 1061933244 /nfs/dbraw/zinc/93/32/44/1061933244.db2.gz KKQMRYRTFMRXSX-VWLOTQADSA-N 1 1 457.619 2.986 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001294363917 1061935094 /nfs/dbraw/zinc/93/50/94/1061935094.db2.gz GPJQOPZTMXZAAH-UHFFFAOYSA-N 1 1 468.650 2.534 20 0 JFADMO Cc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001290196944 1061938170 /nfs/dbraw/zinc/93/81/70/1061938170.db2.gz OIZOXLVCNRKUJR-UHFFFAOYSA-N 1 1 467.662 2.921 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290198532 1061939938 /nfs/dbraw/zinc/93/99/38/1061939938.db2.gz CGSSBWVIAQPLRE-NHCUHLMSSA-N 1 1 454.619 2.920 20 0 JFADMO C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)c1ccccc1 ZINC001290199111 1061940773 /nfs/dbraw/zinc/94/07/73/1061940773.db2.gz MUBFFVRBHMCFCF-QFIPXVFZSA-N 1 1 453.564 2.903 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294372994 1061943794 /nfs/dbraw/zinc/94/37/94/1061943794.db2.gz RJJMYMGIYTXIAE-FQEVSTJZSA-N 1 1 470.618 2.895 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294373848 1061946553 /nfs/dbraw/zinc/94/65/53/1061946553.db2.gz IOBNUNSQFLNHBP-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO C[NH+](C)CCN(C(=O)COc1ccc(C2SCCCS2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001294386855 1061958588 /nfs/dbraw/zinc/95/85/88/1061958588.db2.gz NMCXETNUDSDLHK-QGZVFWFLSA-N 1 1 458.671 2.511 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(=O)(=O)c1ccccc1 ZINC001287023811 1061965429 /nfs/dbraw/zinc/96/54/29/1061965429.db2.gz HQWQWZAUNOJBQK-NRFANRHFSA-N 1 1 489.686 2.889 20 0 JFADMO CCCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001294409258 1061975633 /nfs/dbraw/zinc/97/56/33/1061975633.db2.gz QLDQWVJLSBYJMK-LJQANCHMSA-N 1 1 455.669 2.555 20 0 JFADMO CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294409684 1061976934 /nfs/dbraw/zinc/97/69/34/1061976934.db2.gz ABRKQPFGNGRVBN-HSZRJFAPSA-N 1 1 468.646 2.737 20 0 JFADMO CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294409685 1061977251 /nfs/dbraw/zinc/97/72/51/1061977251.db2.gz ABRKQPFGNGRVBN-QHCPKHFHSA-N 1 1 468.646 2.737 20 0 JFADMO Cc1cccnc1Cn1c(N2CC[NH+](CCOC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290230055 1061978681 /nfs/dbraw/zinc/97/86/81/1061978681.db2.gz XTTKAPOFGNILIA-VWLOTQADSA-N 1 1 472.634 2.617 20 0 JFADMO CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001290231831 1061980797 /nfs/dbraw/zinc/98/07/97/1061980797.db2.gz ZSXPGUAVEOTROG-OTWHNJEPSA-N 1 1 452.669 2.801 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)C1 ZINC001294453915 1061999453 /nfs/dbraw/zinc/99/94/53/1061999453.db2.gz JRLYTKDHRSIBNB-SFHVURJKSA-N 1 1 452.563 2.747 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287034789 1061999299 /nfs/dbraw/zinc/99/92/99/1061999299.db2.gz WMZQPACEGQOZQX-UHFFFAOYSA-N 1 1 486.636 2.965 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001287034789 1061999324 /nfs/dbraw/zinc/99/93/24/1061999324.db2.gz WMZQPACEGQOZQX-UHFFFAOYSA-N 1 1 486.636 2.965 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 ZINC001294454109 1061999962 /nfs/dbraw/zinc/99/99/62/1061999962.db2.gz NWWUMIAZLPAZIS-IBGZPJMESA-N 1 1 470.618 2.748 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC1(O)CCOCC1 ZINC001287035019 1062000002 /nfs/dbraw/zinc/00/00/02/1062000002.db2.gz FJDFCFAGKKFIIO-UHFFFAOYSA-N 1 1 457.619 2.609 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)C1 ZINC001294454142 1062000306 /nfs/dbraw/zinc/00/03/06/1062000306.db2.gz OQBLWTXWUFHREG-IBGZPJMESA-N 1 1 455.607 2.910 20 0 JFADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270837 1062000094 /nfs/dbraw/zinc/00/00/94/1062000094.db2.gz DVSAMBFPOMPLBI-HBMCJLEFSA-N 1 1 486.665 2.651 20 0 JFADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270837 1062000117 /nfs/dbraw/zinc/00/01/17/1062000117.db2.gz DVSAMBFPOMPLBI-HBMCJLEFSA-N 1 1 486.665 2.651 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454422 1062000919 /nfs/dbraw/zinc/00/09/19/1062000919.db2.gz QYAGGQPYYQKONA-WOJBJXKFSA-N 1 1 491.681 2.986 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294455087 1062002177 /nfs/dbraw/zinc/00/21/77/1062002177.db2.gz CGOYNWHCGHMEHO-IBGZPJMESA-N 1 1 462.664 2.868 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001294456764 1062004250 /nfs/dbraw/zinc/00/42/50/1062004250.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 1 1 494.482 2.925 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001287038031 1062004439 /nfs/dbraw/zinc/00/44/39/1062004439.db2.gz SOHPTLKIJSJPPM-XMSQKQJNSA-N 1 1 467.536 2.838 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001287038031 1062004462 /nfs/dbraw/zinc/00/44/62/1062004462.db2.gz SOHPTLKIJSJPPM-XMSQKQJNSA-N 1 1 467.536 2.838 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459625 1062006440 /nfs/dbraw/zinc/00/64/40/1062006440.db2.gz VEKDZZJMYPAXAN-QZTJIDSGSA-N 1 1 456.570 2.902 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)CC1 ZINC001287041154 1062008206 /nfs/dbraw/zinc/00/82/06/1062008206.db2.gz GEKZFTXERGOPBG-UHFFFAOYSA-N 1 1 451.612 2.611 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)CC1 ZINC001287041340 1062008954 /nfs/dbraw/zinc/00/89/54/1062008954.db2.gz IVCSBLHCPKWNRF-ZWKOTPCHSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)C1 ZINC001294461322 1062010530 /nfs/dbraw/zinc/01/05/30/1062010530.db2.gz WOSSCKDJRRVKGZ-INIZCTEOSA-N 1 1 487.045 2.797 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)C1 ZINC001294463010 1062012608 /nfs/dbraw/zinc/01/26/08/1062012608.db2.gz NOQVPFYUFXVAGU-IBGZPJMESA-N 1 1 451.575 2.726 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287042580 1062013067 /nfs/dbraw/zinc/01/30/67/1062013067.db2.gz CZQCTAXAUUIOPG-OAQYLSRUSA-N 1 1 491.658 2.923 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465989 1062014685 /nfs/dbraw/zinc/01/46/85/1062014685.db2.gz AIOXZKZHQGWMQV-XZOQPEGZSA-N 1 1 489.686 2.933 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467347 1062015594 /nfs/dbraw/zinc/01/55/94/1062015594.db2.gz FMSYTYDXXPRYTN-QZTJIDSGSA-N 1 1 477.654 2.701 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467555 1062016720 /nfs/dbraw/zinc/01/67/20/1062016720.db2.gz GWIKKUJZYRJLNO-TZIWHRDSSA-N 1 1 475.659 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294468336 1062018820 /nfs/dbraw/zinc/01/88/20/1062018820.db2.gz MRUDVQCKBQDRKD-APWZRJJASA-N 1 1 496.534 2.637 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287044498 1062019592 /nfs/dbraw/zinc/01/95/92/1062019592.db2.gz DLQDVSUMPCDKEN-FCHUYYIVSA-N 1 1 484.645 2.680 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287044500 1062019815 /nfs/dbraw/zinc/01/98/15/1062019815.db2.gz DLQDVSUMPCDKEN-FGZHOGPDSA-N 1 1 484.645 2.680 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(F)c2)C1 ZINC001294468884 1062019901 /nfs/dbraw/zinc/01/99/01/1062019901.db2.gz RDDIQSWTFUXLFF-UFYCRDLUSA-N 1 1 493.649 2.955 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468979 1062020169 /nfs/dbraw/zinc/02/01/69/1062020169.db2.gz SHCHATGCRKOMKC-IFMALSPDSA-N 1 1 454.619 2.748 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001294469032 1062020211 /nfs/dbraw/zinc/02/02/11/1062020211.db2.gz TWMPALKYUWROAB-FGZHOGPDSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(=O)N(C)C)C1 ZINC001294468975 1062020256 /nfs/dbraw/zinc/02/02/56/1062020256.db2.gz SFSJMZXGFITEHY-GOSISDBHSA-N 1 1 480.617 2.630 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469077 1062020660 /nfs/dbraw/zinc/02/06/60/1062020660.db2.gz UICNOLMJQXBMMH-VXKWHMMOSA-N 1 1 459.660 2.899 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294469290 1062021181 /nfs/dbraw/zinc/02/11/81/1062021181.db2.gz XGEZTHYKQKMCGJ-SQNIBIBYSA-N 1 1 496.703 2.561 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045109 1062022251 /nfs/dbraw/zinc/02/22/51/1062022251.db2.gz JCUOJHBVFPLALA-OALUTQOASA-N 1 1 488.599 2.746 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 ZINC001294469505 1062022608 /nfs/dbraw/zinc/02/26/08/1062022608.db2.gz AAPOFCRNJBESKC-TYBLODHISA-N 1 1 457.619 2.874 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)C1 ZINC001294469921 1062022947 /nfs/dbraw/zinc/02/29/47/1062022947.db2.gz ILMJTXDHHYYRIZ-ACRUOGEOSA-N 1 1 492.665 2.934 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 ZINC001287045645 1062024987 /nfs/dbraw/zinc/02/49/87/1062024987.db2.gz LLSIJYZJOTUBDU-HNNXBMFYSA-N 1 1 483.626 2.786 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccs2)C1 ZINC001294472270 1062026092 /nfs/dbraw/zinc/02/60/92/1062026092.db2.gz VAICDIUVJJPOBQ-INIZCTEOSA-N 1 1 459.645 2.943 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287046178 1062026800 /nfs/dbraw/zinc/02/68/00/1062026800.db2.gz QOQHGZJOJDBPLI-FQEVSTJZSA-N 1 1 492.665 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294475586 1062027727 /nfs/dbraw/zinc/02/77/27/1062027727.db2.gz WTNYIXUFAHCYEL-QGZVFWFLSA-N 1 1 481.613 2.892 20 0 JFADMO Cc1cnc(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290301175 1062030002 /nfs/dbraw/zinc/03/00/02/1062030002.db2.gz NIVBHIUHPFVJTD-KRWDZBQOSA-N 1 1 483.708 2.768 20 0 JFADMO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001290303622 1062031040 /nfs/dbraw/zinc/03/10/40/1062031040.db2.gz DZIGLSQWLWDHLR-RTBURBONSA-N 1 1 486.642 2.857 20 0 JFADMO CCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001294494491 1062033787 /nfs/dbraw/zinc/03/37/87/1062033787.db2.gz XTTCUCIETHRCOR-UHFFFAOYSA-N 1 1 453.591 2.539 20 0 JFADMO CCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001294494491 1062033809 /nfs/dbraw/zinc/03/38/09/1062033809.db2.gz XTTCUCIETHRCOR-UHFFFAOYSA-N 1 1 453.591 2.539 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287048375 1062037585 /nfs/dbraw/zinc/03/75/85/1062037585.db2.gz WQMSYHNPPGFSQA-SFHVURJKSA-N 1 1 458.582 2.976 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)CC1 ZINC001294502837 1062038007 /nfs/dbraw/zinc/03/80/07/1062038007.db2.gz QHGOLLFPDBNHAF-KUHUBIRLSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 ZINC001294503068 1062038053 /nfs/dbraw/zinc/03/80/53/1062038053.db2.gz SMFJZHHMACZWRI-CLOONOSVSA-N 1 1 453.583 2.619 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)CC1 ZINC001294502836 1062038169 /nfs/dbraw/zinc/03/81/69/1062038169.db2.gz QHGOLLFPDBNHAF-IFXJQAMLSA-N 1 1 455.502 2.626 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C(N)=O)CC1 ZINC001294506008 1062042351 /nfs/dbraw/zinc/04/23/51/1062042351.db2.gz FBPNSYXFLKPHSO-UHFFFAOYSA-N 1 1 450.591 2.769 20 0 JFADMO Cc1csc([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001290318983 1062043845 /nfs/dbraw/zinc/04/38/45/1062043845.db2.gz PQEFELHNMUXBOR-ZWKOTPCHSA-N 1 1 495.719 2.912 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](CCn2c(N3CC[N@@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049742 1062044274 /nfs/dbraw/zinc/04/42/74/1062044274.db2.gz VGYCGKBBOHOOBQ-RTBURBONSA-N 1 1 462.639 2.744 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](CCn2c(N3CC[N@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049742 1062044293 /nfs/dbraw/zinc/04/42/93/1062044293.db2.gz VGYCGKBBOHOOBQ-RTBURBONSA-N 1 1 462.639 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001294514790 1062050302 /nfs/dbraw/zinc/05/03/02/1062050302.db2.gz CFNQJPXYBGDDFZ-HXUWFJFHSA-N 1 1 468.650 2.942 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC001294515200 1062050849 /nfs/dbraw/zinc/05/08/49/1062050849.db2.gz FISZUECJCOAPIW-UHFFFAOYSA-N 1 1 483.642 2.910 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294515576 1062051473 /nfs/dbraw/zinc/05/14/73/1062051473.db2.gz IJCGPXSCDYNQSB-XUVXKRRUSA-N 1 1 489.665 2.701 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCSCC1 ZINC001294516462 1062053543 /nfs/dbraw/zinc/05/35/43/1062053543.db2.gz SQMPHWNEPIUNKB-UHFFFAOYSA-N 1 1 455.632 2.960 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)c1 ZINC001290332824 1062053678 /nfs/dbraw/zinc/05/36/78/1062053678.db2.gz AQAUGMPUXPTLMC-SFHVURJKSA-N 1 1 488.683 2.953 20 0 JFADMO CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294516491 1062054071 /nfs/dbraw/zinc/05/40/71/1062054071.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 1 1 476.695 2.501 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294516491 1062054092 /nfs/dbraw/zinc/05/40/92/1062054092.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 1 1 476.695 2.501 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001294520995 1062056649 /nfs/dbraw/zinc/05/66/49/1062056649.db2.gz LDIOZBWPLXKTEX-AQNXPRMDSA-N 1 1 478.638 2.686 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001294521604 1062057471 /nfs/dbraw/zinc/05/74/71/1062057471.db2.gz DXUQCTUJARHEMA-UHFFFAOYSA-N 1 1 460.573 2.986 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001294522389 1062057859 /nfs/dbraw/zinc/05/78/59/1062057859.db2.gz UBFWOHLIMBPPPY-OAQYLSRUSA-N 1 1 459.683 2.801 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001294522360 1062058247 /nfs/dbraw/zinc/05/82/47/1062058247.db2.gz SUUBNGQMONYNCJ-IBGZPJMESA-N 1 1 462.668 2.781 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001294524099 1062061188 /nfs/dbraw/zinc/06/11/88/1062061188.db2.gz LFMCACUVMFXXTP-UHFFFAOYSA-N 1 1 498.035 2.546 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001294524237 1062061905 /nfs/dbraw/zinc/06/19/05/1062061905.db2.gz PJMGHIDKSQZDEG-NRFANRHFSA-N 1 1 453.595 2.514 20 0 JFADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC001290353126 1062064345 /nfs/dbraw/zinc/06/43/45/1062064345.db2.gz GRUPJVYXVBNSPT-UHFFFAOYSA-N 1 1 474.723 2.984 20 0 JFADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)n1 ZINC001290353126 1062064366 /nfs/dbraw/zinc/06/43/66/1062064366.db2.gz GRUPJVYXVBNSPT-UHFFFAOYSA-N 1 1 474.723 2.984 20 0 JFADMO Cc1csc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)n1 ZINC001290353126 1062064390 /nfs/dbraw/zinc/06/43/90/1062064390.db2.gz GRUPJVYXVBNSPT-UHFFFAOYSA-N 1 1 474.723 2.984 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001294528850 1062065445 /nfs/dbraw/zinc/06/54/45/1062065445.db2.gz GQJQCXAQHZUBPR-LPHOPBHVSA-N 1 1 485.555 2.970 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001294529510 1062066070 /nfs/dbraw/zinc/06/60/70/1062066070.db2.gz LCRKJIIRRRMBQH-ZCNNSNEGSA-N 1 1 489.665 2.592 20 0 JFADMO CCCN(Cc1ccc(F)cc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001294537029 1062070112 /nfs/dbraw/zinc/07/01/12/1062070112.db2.gz CUVQWYBKOOVIJI-DEOSSOPVSA-N 1 1 473.572 2.901 20 0 JFADMO Cc1nc(C)c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC001290361852 1062070640 /nfs/dbraw/zinc/07/06/40/1062070640.db2.gz PZEPMJIGYRLCBP-KRWDZBQOSA-N 1 1 495.719 2.659 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@H]2C1 ZINC001287056592 1062077219 /nfs/dbraw/zinc/07/72/19/1062077219.db2.gz ISMOCRRZVPZYTO-KDURUIRLSA-N 1 1 476.666 2.990 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001294564420 1062081092 /nfs/dbraw/zinc/08/10/92/1062081092.db2.gz QZAUZOJCPBUFBX-KRWDZBQOSA-N 1 1 451.409 2.652 20 0 JFADMO CCCN(CCC)S(=O)(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001294571844 1062085030 /nfs/dbraw/zinc/08/50/30/1062085030.db2.gz FCKALLRVIWGGMX-HXUWFJFHSA-N 1 1 492.694 2.664 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287058496 1062085304 /nfs/dbraw/zinc/08/53/04/1062085304.db2.gz ZCQSXSMHAHCGSF-QHAWAJNXSA-N 1 1 492.665 2.860 20 0 JFADMO CCCN(CCc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001294573103 1062086414 /nfs/dbraw/zinc/08/64/14/1062086414.db2.gz LQMKWXXDGDUYCD-HSZRJFAPSA-N 1 1 469.615 2.513 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287061653 1062098519 /nfs/dbraw/zinc/09/85/19/1062098519.db2.gz MMAZBDJFOQYZFQ-IFMALSPDSA-N 1 1 499.660 2.928 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100861 /nfs/dbraw/zinc/10/08/61/1062100861.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 1 1 461.680 2.664 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001290404342 1062114320 /nfs/dbraw/zinc/11/43/20/1062114320.db2.gz ICUBBQRPUIXROE-ZWKOTPCHSA-N 1 1 459.664 2.955 20 0 JFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC[C@@H]21 ZINC001294605303 1062115420 /nfs/dbraw/zinc/11/54/20/1062115420.db2.gz FPCQTMLHAGLEAV-WBMJQRKESA-N 1 1 453.914 2.580 20 0 JFADMO CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001294608287 1062116622 /nfs/dbraw/zinc/11/66/22/1062116622.db2.gz NEVIEPPTRYLZOQ-GOSISDBHSA-N 1 1 463.652 2.585 20 0 JFADMO CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294623787 1062130607 /nfs/dbraw/zinc/13/06/07/1062130607.db2.gz CYBJTCMYZGXWFN-UTKZUKDTSA-N 1 1 461.010 2.909 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290411069 1062131047 /nfs/dbraw/zinc/13/10/47/1062131047.db2.gz VUEFZJQLYALQQV-SCTDSRPQSA-N 1 1 459.664 2.704 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)C1 ZINC001294632205 1062140192 /nfs/dbraw/zinc/14/01/92/1062140192.db2.gz GEIHUVOTIJBTRV-SFTDATJTSA-N 1 1 456.639 2.803 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001294632395 1062140280 /nfs/dbraw/zinc/14/02/80/1062140280.db2.gz HUGMZJFPLGRTIM-HXUWFJFHSA-N 1 1 496.660 2.939 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(F)c(OC)c3)CC2)C1 ZINC001294633542 1062143308 /nfs/dbraw/zinc/14/33/08/1062143308.db2.gz PKTDBXUFZNLWRD-LJQANCHMSA-N 1 1 487.624 2.623 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC001294634927 1062145302 /nfs/dbraw/zinc/14/53/02/1062145302.db2.gz VQYAMZHEYJXSGP-MOPGFXCFSA-N 1 1 473.597 2.730 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC001294634930 1062146517 /nfs/dbraw/zinc/14/65/17/1062146517.db2.gz VQYAMZHEYJXSGP-RTBURBONSA-N 1 1 473.597 2.730 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)C1 ZINC001294634992 1062146545 /nfs/dbraw/zinc/14/65/45/1062146545.db2.gz WVBLUWDKZSIHRL-HXUWFJFHSA-N 1 1 469.634 2.840 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637448 1062150495 /nfs/dbraw/zinc/15/04/95/1062150495.db2.gz IEHZWEKCRHIEEI-MOPGFXCFSA-N 1 1 454.685 2.774 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001294637737 1062152992 /nfs/dbraw/zinc/15/29/92/1062152992.db2.gz LPZVNDFPNHWFFG-ZWKOTPCHSA-N 1 1 452.669 2.803 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)C1 ZINC001294639823 1062156621 /nfs/dbraw/zinc/15/66/21/1062156621.db2.gz XNMGVYNGXUYZCI-RTBURBONSA-N 1 1 452.669 2.781 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294640510 1062157382 /nfs/dbraw/zinc/15/73/82/1062157382.db2.gz AXYSZPWSLHCNCC-FHWLQOOXSA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294642233 1062165309 /nfs/dbraw/zinc/16/53/09/1062165309.db2.gz TTZLTUBGFVCYMD-GIVPXCGWSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294642898 1062166493 /nfs/dbraw/zinc/16/64/93/1062166493.db2.gz WRACCVJSUFDTQO-INIZCTEOSA-N 1 1 482.448 2.674 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001287068392 1062169419 /nfs/dbraw/zinc/16/94/19/1062169419.db2.gz HKGWQDWHZLGZMJ-UHFFFAOYSA-N 1 1 470.603 2.644 20 0 JFADMO COC(=O)COc1c(C)cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1C ZINC001294645491 1062173029 /nfs/dbraw/zinc/17/30/29/1062173029.db2.gz MTLGORFQSKTSFM-HXUWFJFHSA-N 1 1 456.539 2.877 20 0 JFADMO COC(=O)COc1c(C)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1C ZINC001294645491 1062173042 /nfs/dbraw/zinc/17/30/42/1062173042.db2.gz MTLGORFQSKTSFM-HXUWFJFHSA-N 1 1 456.539 2.877 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290425247 1062172996 /nfs/dbraw/zinc/17/29/96/1062172996.db2.gz XFVIOPDVYXHKIG-ZIFCJYIRSA-N 1 1 489.690 2.613 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001294645666 1062173105 /nfs/dbraw/zinc/17/31/05/1062173105.db2.gz DARNMVOCXCMFKE-MRXNPFEDSA-N 1 1 499.056 2.988 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294645709 1062174094 /nfs/dbraw/zinc/17/40/94/1062174094.db2.gz FLKXAHOLRMBPEZ-HKUYNNGSSA-N 1 1 479.000 2.811 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001294645742 1062175358 /nfs/dbraw/zinc/17/53/58/1062175358.db2.gz GCIPXWARRDWEDD-OAHLLOKOSA-N 1 1 489.473 2.969 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294646508 1062176346 /nfs/dbraw/zinc/17/63/46/1062176346.db2.gz LJMLIXSQEIGLCV-NQIIRXRSSA-N 1 1 461.632 2.699 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294646507 1062176373 /nfs/dbraw/zinc/17/63/73/1062176373.db2.gz LJMLIXSQEIGLCV-GHTZIAJQSA-N 1 1 461.632 2.699 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646942 1062179467 /nfs/dbraw/zinc/17/94/67/1062179467.db2.gz PDJFUJVYKINOHO-QGZVFWFLSA-N 1 1 499.056 2.941 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294647190 1062181606 /nfs/dbraw/zinc/18/16/06/1062181606.db2.gz DBWQMGMZJJKKRR-NHCUHLMSSA-N 1 1 474.675 2.751 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001294648571 1062187905 /nfs/dbraw/zinc/18/79/05/1062187905.db2.gz KDSYUHKIXNERFB-MRXNPFEDSA-N 1 1 491.434 2.727 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294649442 1062192252 /nfs/dbraw/zinc/19/22/52/1062192252.db2.gz OLEAQORDWYNFAF-MRXNPFEDSA-N 1 1 482.448 2.674 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294650938 1062195747 /nfs/dbraw/zinc/19/57/47/1062195747.db2.gz LJUABBLHKAZOQS-RTBURBONSA-N 1 1 470.622 2.961 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294650937 1062195819 /nfs/dbraw/zinc/19/58/19/1062195819.db2.gz LJUABBLHKAZOQS-RBUKOAKNSA-N 1 1 470.622 2.961 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001294651465 1062197014 /nfs/dbraw/zinc/19/70/14/1062197014.db2.gz YFYRZJYDZBOCRF-MRXNPFEDSA-N 1 1 461.408 2.766 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001290433508 1062198271 /nfs/dbraw/zinc/19/82/71/1062198271.db2.gz VUYBQAFGQLHLDC-SFHVURJKSA-N 1 1 467.643 2.823 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CCn2cc[nH+]c2C)cs1 ZINC001290433613 1062199498 /nfs/dbraw/zinc/19/94/98/1062199498.db2.gz YUNQRBLBRNFPHS-UHFFFAOYSA-N 1 1 472.619 2.754 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N(C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC001294656677 1062201772 /nfs/dbraw/zinc/20/17/72/1062201772.db2.gz HKEMBYUHISXFEI-IBGZPJMESA-N 1 1 452.603 2.941 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287071394 1062202020 /nfs/dbraw/zinc/20/20/20/1062202020.db2.gz MOTZGAYZGNOKCP-WOJBJXKFSA-N 1 1 485.633 2.680 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(Cc4cscn4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290435035 1062202737 /nfs/dbraw/zinc/20/27/37/1062202737.db2.gz FAMAGAFVNVFFEK-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001294657996 1062203319 /nfs/dbraw/zinc/20/33/19/1062203319.db2.gz NGPIAPLVTSEPAH-ACRUOGEOSA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659052 1062206555 /nfs/dbraw/zinc/20/65/55/1062206555.db2.gz UKHNZRACJNKLQY-IAGOWNOFSA-N 1 1 452.554 2.745 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC001290439556 1062207282 /nfs/dbraw/zinc/20/72/82/1062207282.db2.gz GDKRLKKYUKRPIJ-VQIMIIECSA-N 1 1 450.678 2.812 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294659365 1062207377 /nfs/dbraw/zinc/20/73/77/1062207377.db2.gz UGYKKAGYIYQSAB-UFYCRDLUSA-N 1 1 462.639 2.960 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC001290439810 1062207479 /nfs/dbraw/zinc/20/74/79/1062207479.db2.gz JFLNAKMZYVOHQG-KRWDZBQOSA-N 1 1 463.721 2.849 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294661000 1062210904 /nfs/dbraw/zinc/21/09/04/1062210904.db2.gz HYNDZBPVBGOQNG-FPOVZHCZSA-N 1 1 463.623 2.753 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294661107 1062211615 /nfs/dbraw/zinc/21/16/15/1062211615.db2.gz ITECOJSIUZCDKR-RTWAWAEBSA-N 1 1 492.665 2.506 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294661825 1062212770 /nfs/dbraw/zinc/21/27/70/1062212770.db2.gz WVXRIPWLZBYEBZ-HKUYNNGSSA-N 1 1 460.573 2.936 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662438 1062214419 /nfs/dbraw/zinc/21/44/19/1062214419.db2.gz NAFFZGRAHNGJDO-OALUTQOASA-N 1 1 472.659 2.951 20 0 JFADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)no1 ZINC001290441952 1062214497 /nfs/dbraw/zinc/21/44/97/1062214497.db2.gz PTXRUWLGTPGIPJ-ZVDOUQERSA-N 1 1 486.665 2.935 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294663115 1062214893 /nfs/dbraw/zinc/21/48/93/1062214893.db2.gz QSOJSTUVKQHEFF-FQEVSTJZSA-N 1 1 493.578 2.891 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294665214 1062217410 /nfs/dbraw/zinc/21/74/10/1062217410.db2.gz YEWPBCAPHAJJEK-IBGZPJMESA-N 1 1 457.598 2.591 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294666571 1062219879 /nfs/dbraw/zinc/21/98/79/1062219879.db2.gz GHPVGDOOBIUQFJ-SFHVURJKSA-N 1 1 476.025 2.704 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666643 1062219971 /nfs/dbraw/zinc/21/99/71/1062219971.db2.gz IHQDOKJBXBVPBC-FQEVSTJZSA-N 1 1 470.618 2.703 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001294666970 1062220434 /nfs/dbraw/zinc/22/04/34/1062220434.db2.gz ONESGVZSWNLVHI-UXHICEINSA-N 1 1 454.619 2.818 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001294666971 1062220524 /nfs/dbraw/zinc/22/05/24/1062220524.db2.gz ONESGVZSWNLVHI-VQTJNVASSA-N 1 1 454.619 2.818 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001294670231 1062227513 /nfs/dbraw/zinc/22/75/13/1062227513.db2.gz QIOKQKZNFCFCNZ-LJQANCHMSA-N 1 1 492.665 2.958 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@H](C)C2)C1 ZINC001294671438 1062230551 /nfs/dbraw/zinc/23/05/51/1062230551.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@H](C)C2)C1 ZINC001294671438 1062230573 /nfs/dbraw/zinc/23/05/73/1062230573.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674962 1062235117 /nfs/dbraw/zinc/23/51/17/1062235117.db2.gz PHNMISYPBDKNBT-XUVXKRRUSA-N 1 1 478.638 2.591 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001294683614 1062242860 /nfs/dbraw/zinc/24/28/60/1062242860.db2.gz JYPFZPULYXZWPZ-VQTJNVASSA-N 1 1 459.664 2.904 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001294692870 1062252553 /nfs/dbraw/zinc/25/25/53/1062252553.db2.gz DRDPMHUECNITRS-BRWVUGGUSA-N 1 1 462.611 2.634 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 ZINC001294695597 1062257190 /nfs/dbraw/zinc/25/71/90/1062257190.db2.gz OOZIEJOFPVMKRC-LJQANCHMSA-N 1 1 469.590 2.579 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699272 1062262407 /nfs/dbraw/zinc/26/24/07/1062262407.db2.gz NXVGUVJABBOYQZ-HXUWFJFHSA-N 1 1 452.669 2.576 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294698953 1062262705 /nfs/dbraw/zinc/26/27/05/1062262705.db2.gz LUYWWMNHYYLQKM-HXUWFJFHSA-N 1 1 478.663 2.971 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294700217 1062264865 /nfs/dbraw/zinc/26/48/65/1062264865.db2.gz VOBJQBMTCGOVPQ-UNMCSNQZSA-N 1 1 489.690 2.712 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001294701394 1062267455 /nfs/dbraw/zinc/26/74/55/1062267455.db2.gz ZDKMOSXWXVHTIG-QGZVFWFLSA-N 1 1 469.055 2.848 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C ZINC001294706403 1062270229 /nfs/dbraw/zinc/27/02/29/1062270229.db2.gz JXZSAOWTVPDKGM-QFIPXVFZSA-N 1 1 497.692 2.677 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001294707391 1062272135 /nfs/dbraw/zinc/27/21/35/1062272135.db2.gz OBAQQCPHEKBJCS-QFIPXVFZSA-N 1 1 459.683 2.676 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294708014 1062272958 /nfs/dbraw/zinc/27/29/58/1062272958.db2.gz PTOAKOZXUJMEIW-LEWJYISDSA-N 1 1 463.623 2.896 20 0 JFADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001294708363 1062274916 /nfs/dbraw/zinc/27/49/16/1062274916.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001294708363 1062274931 /nfs/dbraw/zinc/27/49/31/1062274931.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708577 1062275449 /nfs/dbraw/zinc/27/54/49/1062275449.db2.gz SEPWKUORRGGTND-WOJBJXKFSA-N 1 1 496.703 2.573 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 ZINC001294708978 1062276374 /nfs/dbraw/zinc/27/63/74/1062276374.db2.gz UBVMGWUWQMQJFN-IBGZPJMESA-N 1 1 490.599 2.707 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294709420 1062277631 /nfs/dbraw/zinc/27/76/31/1062277631.db2.gz LOEZQHPOEPDUQQ-FPOVZHCZSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712575 1062282928 /nfs/dbraw/zinc/28/29/28/1062282928.db2.gz UFSAEQRMWBIFBV-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294712971 1062284819 /nfs/dbraw/zinc/28/48/19/1062284819.db2.gz WTHSIEVGNWGJNQ-NHCUHLMSSA-N 1 1 494.731 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713615 1062287631 /nfs/dbraw/zinc/28/76/31/1062287631.db2.gz ZTGQBKDCJAIRGQ-UXHICEINSA-N 1 1 463.623 2.896 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1F ZINC001290502065 1062296764 /nfs/dbraw/zinc/29/67/64/1062296764.db2.gz VZFCYVJBJGEQAQ-IBGZPJMESA-N 1 1 489.621 2.849 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1F ZINC001290502066 1062297305 /nfs/dbraw/zinc/29/73/05/1062297305.db2.gz VZFCYVJBJGEQAQ-LJQANCHMSA-N 1 1 489.621 2.849 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)cc1F ZINC001290504773 1062301808 /nfs/dbraw/zinc/30/18/08/1062301808.db2.gz ZAAISUNBAFFDNA-INIZCTEOSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001290504584 1062301906 /nfs/dbraw/zinc/30/19/06/1062301906.db2.gz WDXKSDRWRCQKRC-HXUWFJFHSA-N 1 1 484.649 2.631 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001290506828 1062304749 /nfs/dbraw/zinc/30/47/49/1062304749.db2.gz FTWBKYZAAKWRBT-OAQYLSRUSA-N 1 1 490.605 2.995 20 0 JFADMO CC(C)(O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287098432 1062305393 /nfs/dbraw/zinc/30/53/93/1062305393.db2.gz IVVJGRYSCXHVRR-INIZCTEOSA-N 1 1 470.401 2.846 20 0 JFADMO CC(C)(O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287098432 1062305415 /nfs/dbraw/zinc/30/54/15/1062305415.db2.gz IVVJGRYSCXHVRR-INIZCTEOSA-N 1 1 470.401 2.846 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(N)=O)CC1 ZINC001290511021 1062308657 /nfs/dbraw/zinc/30/86/57/1062308657.db2.gz KMRPRLBAFSBMGM-UHFFFAOYSA-N 1 1 475.395 2.723 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001290511337 1062310002 /nfs/dbraw/zinc/31/00/02/1062310002.db2.gz REPKGOHOSHFHAK-HXUWFJFHSA-N 1 1 455.538 2.729 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 ZINC001290511462 1062311503 /nfs/dbraw/zinc/31/15/03/1062311503.db2.gz VZFQQXFBNNSXTG-MRXNPFEDSA-N 1 1 457.966 2.682 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)(F)F ZINC001290513893 1062312013 /nfs/dbraw/zinc/31/20/13/1062312013.db2.gz GJRDOXKEKLRCKD-UHFFFAOYSA-N 1 1 460.468 2.905 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001290513993 1062312344 /nfs/dbraw/zinc/31/23/44/1062312344.db2.gz HNNJDMPMWAWTBN-UHFFFAOYSA-N 1 1 476.507 2.830 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001290514644 1062313616 /nfs/dbraw/zinc/31/36/16/1062313616.db2.gz AIYFZSYFIBVDBP-OAQYLSRUSA-N 1 1 464.618 2.848 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001290515267 1062314899 /nfs/dbraw/zinc/31/48/99/1062314899.db2.gz HEVUZBBWMADZNL-WOJBJXKFSA-N 1 1 457.623 2.898 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294733414 1062314972 /nfs/dbraw/zinc/31/49/72/1062314972.db2.gz BYRMDUUBTYJHTR-NRFANRHFSA-N 1 1 486.636 2.958 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001290515493 1062315664 /nfs/dbraw/zinc/31/56/64/1062315664.db2.gz JTPQIAPZEJAYIH-UYAOXDASSA-N 1 1 489.621 2.797 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001290515511 1062316474 /nfs/dbraw/zinc/31/64/74/1062316474.db2.gz KGFBQEQSAOOTPR-KRWDZBQOSA-N 1 1 462.524 2.932 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001290517772 1062318601 /nfs/dbraw/zinc/31/86/01/1062318601.db2.gz JSSXEWRLOYSEGB-UHFFFAOYSA-N 1 1 467.549 2.860 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290521916 1062322257 /nfs/dbraw/zinc/32/22/57/1062322257.db2.gz DAZIIEJFDQZHEQ-MOPGFXCFSA-N 1 1 459.595 2.728 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001290524365 1062324914 /nfs/dbraw/zinc/32/49/14/1062324914.db2.gz AEFPTWAKXJZZTH-OAHLLOKOSA-N 1 1 466.970 2.814 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001290524394 1062325729 /nfs/dbraw/zinc/32/57/29/1062325729.db2.gz AYHULHDEBULMDP-IEBWSBKVSA-N 1 1 489.621 2.795 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001290524558 1062326301 /nfs/dbraw/zinc/32/63/01/1062326301.db2.gz FXUXOXNSZBZYEO-MRXNPFEDSA-N 1 1 466.970 2.814 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001290524543 1062326543 /nfs/dbraw/zinc/32/65/43/1062326543.db2.gz FJNWCJFUKSWWQZ-HZPDHXFCSA-N 1 1 465.023 2.985 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001290524903 1062327005 /nfs/dbraw/zinc/32/70/05/1062327005.db2.gz QILYGCYXMKHELY-OAQYLSRUSA-N 1 1 453.566 2.954 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CCc2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001290524882 1062327097 /nfs/dbraw/zinc/32/70/97/1062327097.db2.gz POZMHLDNBVRAPN-IBGZPJMESA-N 1 1 475.519 2.773 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccsc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287111858 1062327008 /nfs/dbraw/zinc/32/70/08/1062327008.db2.gz AKWAVULESQHQAP-UHFFFAOYSA-N 1 1 474.675 2.736 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001290525092 1062327642 /nfs/dbraw/zinc/32/76/42/1062327642.db2.gz WZIDZISNLOKJTE-UHFFFAOYSA-N 1 1 453.566 2.908 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N(C)CCC1CCOCC1 ZINC001290528581 1062328700 /nfs/dbraw/zinc/32/87/00/1062328700.db2.gz HVSPZICNRPGKEW-UHFFFAOYSA-N 1 1 457.604 2.728 20 0 JFADMO Cc1[nH+]ccn1CCn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)nnc1C(C)(C)C ZINC001290529019 1062329762 /nfs/dbraw/zinc/32/97/62/1062329762.db2.gz LYUAMZKEUSDEKV-UHFFFAOYSA-N 1 1 453.566 2.811 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294743568 1062332380 /nfs/dbraw/zinc/33/23/80/1062332380.db2.gz CNRWNPVGXCCUJZ-MOPGFXCFSA-N 1 1 484.605 2.515 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001294743747 1062332785 /nfs/dbraw/zinc/33/27/85/1062332785.db2.gz GVZQJBWGMXBCPD-UNMCSNQZSA-N 1 1 481.645 2.984 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 ZINC001294743966 1062334690 /nfs/dbraw/zinc/33/46/90/1062334690.db2.gz IHAYLKVTPHKGDJ-IBGZPJMESA-N 1 1 461.010 2.961 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294744422 1062335742 /nfs/dbraw/zinc/33/57/42/1062335742.db2.gz TYLCJOVNVKAUBJ-NRFANRHFSA-N 1 1 473.666 2.662 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294744597 1062335983 /nfs/dbraw/zinc/33/59/83/1062335983.db2.gz YETCWNWYCRROGC-MOPGFXCFSA-N 1 1 498.632 2.903 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O ZINC001294744859 1062337130 /nfs/dbraw/zinc/33/71/30/1062337130.db2.gz GJCQHBVZSFSZBV-MJGOQNOKSA-N 1 1 450.591 2.910 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294748802 1062340341 /nfs/dbraw/zinc/34/03/41/1062340341.db2.gz FOKYQYWYYLBRMI-QHCPKHFHSA-N 1 1 467.662 2.592 20 0 JFADMO O=C(CCC(=O)c1ccc(I)cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001294752090 1062340763 /nfs/dbraw/zinc/34/07/63/1062340763.db2.gz JWNUIYLOVDVRCS-KRWDZBQOSA-N 1 1 458.340 2.607 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O ZINC001294751502 1062340947 /nfs/dbraw/zinc/34/09/47/1062340947.db2.gz XMNDDNZQZRLFAJ-KRWDZBQOSA-N 1 1 455.028 2.739 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001287115427 1062341664 /nfs/dbraw/zinc/34/16/64/1062341664.db2.gz IPSUNBVWECLYGH-XZOQPEGZSA-N 1 1 468.646 2.757 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001290542681 1062343846 /nfs/dbraw/zinc/34/38/46/1062343846.db2.gz SYWUCLBWDJGQCY-OSPHWJPCSA-N 1 1 459.639 2.788 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001287115825 1062344116 /nfs/dbraw/zinc/34/41/16/1062344116.db2.gz LYAWXIYRFAAUIY-OALUTQOASA-N 1 1 494.600 2.562 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001287115826 1062344164 /nfs/dbraw/zinc/34/41/64/1062344164.db2.gz LYAWXIYRFAAUIY-RBUKOAKNSA-N 1 1 494.600 2.562 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294755270 1062345564 /nfs/dbraw/zinc/34/55/64/1062345564.db2.gz OMLOTCFAPFIGCQ-OALUTQOASA-N 1 1 486.583 2.941 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001294755790 1062345857 /nfs/dbraw/zinc/34/58/57/1062345857.db2.gz SMIGOYBLUKWWMD-SXLOBPIMSA-N 1 1 461.632 2.958 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294757436 1062347301 /nfs/dbraw/zinc/34/73/01/1062347301.db2.gz LRIZJXLVSWLVEJ-OALUTQOASA-N 1 1 451.662 2.818 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294757835 1062347992 /nfs/dbraw/zinc/34/79/92/1062347992.db2.gz PDTUCFSYKSJXDX-OALUTQOASA-N 1 1 496.582 2.519 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294758058 1062348886 /nfs/dbraw/zinc/34/88/86/1062348886.db2.gz SCTRTKMAHXBMNX-IBGZPJMESA-N 1 1 490.674 2.979 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294759575 1062350226 /nfs/dbraw/zinc/35/02/26/1062350226.db2.gz GNEZNPFHGVTZAL-XQBPLPMBSA-N 1 1 488.599 2.877 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294760310 1062350872 /nfs/dbraw/zinc/35/08/72/1062350872.db2.gz NMMZDYIIGBNTCF-ZRNYENFQSA-N 1 1 489.665 2.625 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001294763088 1062351374 /nfs/dbraw/zinc/35/13/74/1062351374.db2.gz ACEHAYNGHZQHBW-NRFANRHFSA-N 1 1 467.618 2.878 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294764868 1062354405 /nfs/dbraw/zinc/35/44/05/1062354405.db2.gz OORFXVPMDDXQCX-TUFLPTIASA-N 1 1 478.638 2.591 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287118847 1062356537 /nfs/dbraw/zinc/35/65/37/1062356537.db2.gz QQJRXDKRFGKWJS-NRFANRHFSA-N 1 1 460.667 2.863 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287118847 1062356559 /nfs/dbraw/zinc/35/65/59/1062356559.db2.gz QQJRXDKRFGKWJS-NRFANRHFSA-N 1 1 460.667 2.863 20 0 JFADMO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768370 1062362825 /nfs/dbraw/zinc/36/28/25/1062362825.db2.gz NPYZCRJTZAWZRN-RTBURBONSA-N 1 1 494.644 2.509 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)CC1 ZINC001290563722 1062365471 /nfs/dbraw/zinc/36/54/71/1062365471.db2.gz IKLWVDDQDUOHJG-UHFFFAOYSA-N 1 1 478.645 2.780 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001287121319 1062367116 /nfs/dbraw/zinc/36/71/16/1062367116.db2.gz WYTCYKNXBZXDPB-LJQANCHMSA-N 1 1 454.623 2.598 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001294770398 1062368449 /nfs/dbraw/zinc/36/84/49/1062368449.db2.gz FTHXHNWUFSUTBK-OALUTQOASA-N 1 1 469.634 2.523 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001287121686 1062369093 /nfs/dbraw/zinc/36/90/93/1062369093.db2.gz CCNCFXJQIYFQMO-UHFFFAOYSA-N 1 1 453.635 2.879 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001294771165 1062370094 /nfs/dbraw/zinc/37/00/94/1062370094.db2.gz NRWVMKIRYYFLQX-PMACEKPBSA-N 1 1 481.645 2.621 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287122616 1062373271 /nfs/dbraw/zinc/37/32/71/1062373271.db2.gz APIZPOGUYVRFEB-CTNGQTDRSA-N 1 1 473.666 2.625 20 0 JFADMO Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n(C)n1 ZINC001290572277 1062374719 /nfs/dbraw/zinc/37/47/19/1062374719.db2.gz MGHSCVOSMYUHLL-UHFFFAOYSA-N 1 1 469.609 2.893 20 0 JFADMO Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n(C)n1 ZINC001290574108 1062376972 /nfs/dbraw/zinc/37/69/72/1062376972.db2.gz UGACQMDZEPJYMI-UHFFFAOYSA-N 1 1 455.582 2.645 20 0 JFADMO Cc1cc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n(C)n1 ZINC001290574108 1062376991 /nfs/dbraw/zinc/37/69/91/1062376991.db2.gz UGACQMDZEPJYMI-UHFFFAOYSA-N 1 1 455.582 2.645 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287124292 1062381479 /nfs/dbraw/zinc/38/14/79/1062381479.db2.gz HMNRCLCGZRWWME-YADHBBJMSA-N 1 1 489.709 2.534 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001294782756 1062389407 /nfs/dbraw/zinc/38/94/07/1062389407.db2.gz DWSRCZYTSFBQAK-YOSAUDMPSA-N 1 1 478.707 2.742 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001294782755 1062389527 /nfs/dbraw/zinc/38/95/27/1062389527.db2.gz DWSRCZYTSFBQAK-ROKPMTFOSA-N 1 1 478.707 2.742 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)C2)n1 ZINC001290585279 1062393948 /nfs/dbraw/zinc/39/39/48/1062393948.db2.gz UOODEOZGGGOKGE-LEWJYISDSA-N 1 1 458.655 2.763 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287126942 1062394471 /nfs/dbraw/zinc/39/44/71/1062394471.db2.gz GDDCBQGZWDTTTG-IRLDBZIGSA-N 1 1 487.693 2.872 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294789206 1062396701 /nfs/dbraw/zinc/39/67/01/1062396701.db2.gz KAJFMNAIYBGHPA-LJQANCHMSA-N 1 1 490.052 2.847 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294789206 1062396728 /nfs/dbraw/zinc/39/67/28/1062396728.db2.gz KAJFMNAIYBGHPA-LJQANCHMSA-N 1 1 490.052 2.847 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001294789620 1062397843 /nfs/dbraw/zinc/39/78/43/1062397843.db2.gz MNEQPVOLUKGOFD-IRLDBZIGSA-N 1 1 485.677 2.863 20 0 JFADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789768 1062398540 /nfs/dbraw/zinc/39/85/40/1062398540.db2.gz RZABMOYOCZNHDF-XUZZJYLKSA-N 1 1 451.567 2.790 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@]2(C)CCCO2)n1 ZINC001290594357 1062415921 /nfs/dbraw/zinc/41/59/21/1062415921.db2.gz RPXKJSHFKKHHNI-DEOSSOPVSA-N 1 1 459.639 2.503 20 0 JFADMO CC(C)C(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287131629 1062425995 /nfs/dbraw/zinc/42/59/95/1062425995.db2.gz VOOOXSXYJMXXTK-JOCHJYFZSA-N 1 1 498.672 2.838 20 0 JFADMO CC(C)C(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287131629 1062425999 /nfs/dbraw/zinc/42/59/99/1062425999.db2.gz VOOOXSXYJMXXTK-JOCHJYFZSA-N 1 1 498.672 2.838 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cscn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001290601061 1062433721 /nfs/dbraw/zinc/43/37/21/1062433721.db2.gz XHHLBKJEJSOFOO-FQEVSTJZSA-N 1 1 458.636 2.589 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001290605402 1062439958 /nfs/dbraw/zinc/43/99/58/1062439958.db2.gz GFRCGCIGFWHIGF-LJQANCHMSA-N 1 1 469.609 2.926 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C(C)C ZINC001287133602 1062443693 /nfs/dbraw/zinc/44/36/93/1062443693.db2.gz LJZPTIWUGNDOGZ-IBGZPJMESA-N 1 1 479.670 2.899 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290607149 1062449612 /nfs/dbraw/zinc/44/96/12/1062449612.db2.gz MOUNTZUBSZXPDG-BDTNDASRSA-N 1 1 459.639 2.644 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCn2cc[nH+]c2C)C1 ZINC001294803802 1062453625 /nfs/dbraw/zinc/45/36/25/1062453625.db2.gz MVXMQVOPLQQYFJ-NRFANRHFSA-N 1 1 450.591 2.602 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001290618994 1062478116 /nfs/dbraw/zinc/47/81/16/1062478116.db2.gz YIDQVIZTFJKENK-DSKINZAPSA-N 1 1 486.665 2.973 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001290620281 1062480896 /nfs/dbraw/zinc/48/08/96/1062480896.db2.gz IZRDMSNQGTYSRQ-HSZRJFAPSA-N 1 1 456.683 2.896 20 0 JFADMO CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287138607 1062485081 /nfs/dbraw/zinc/48/50/81/1062485081.db2.gz ABMHWOMKYVFGAO-SZPZYZBQSA-N 1 1 499.679 2.775 20 0 JFADMO CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001287138758 1062487157 /nfs/dbraw/zinc/48/71/57/1062487157.db2.gz LBJBRKXMFKYFJR-OALUTQOASA-N 1 1 460.648 2.889 20 0 JFADMO CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001287138763 1062487230 /nfs/dbraw/zinc/48/72/30/1062487230.db2.gz LBJBRKXMFKYFJR-RBUKOAKNSA-N 1 1 460.648 2.889 20 0 JFADMO CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001287138754 1062487258 /nfs/dbraw/zinc/48/72/58/1062487258.db2.gz LBJBRKXMFKYFJR-MOPGFXCFSA-N 1 1 460.648 2.889 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001294822803 1062508858 /nfs/dbraw/zinc/50/88/58/1062508858.db2.gz QQADDLODJXQKDQ-HXUWFJFHSA-N 1 1 471.650 2.527 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001290634229 1062512455 /nfs/dbraw/zinc/51/24/55/1062512455.db2.gz FKKHTBXPWMBLSH-LJQANCHMSA-N 1 1 499.582 2.798 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001287148454 1062516854 /nfs/dbraw/zinc/51/68/54/1062516854.db2.gz GQCXJJVFQODQCB-SGIRGMQISA-N 1 1 489.686 2.688 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287148454 1062516876 /nfs/dbraw/zinc/51/68/76/1062516876.db2.gz GQCXJJVFQODQCB-SGIRGMQISA-N 1 1 489.686 2.688 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001290636623 1062520209 /nfs/dbraw/zinc/52/02/09/1062520209.db2.gz ZSEXAWMEUKMIGI-OAQYLSRUSA-N 1 1 470.666 2.886 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001287151403 1062522972 /nfs/dbraw/zinc/52/29/72/1062522972.db2.gz ARHGTMAVCGTXLV-HXUWFJFHSA-N 1 1 451.619 2.979 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290640134 1062526373 /nfs/dbraw/zinc/52/63/73/1062526373.db2.gz RSQCVBZQMXHNJW-UGKGYDQZSA-N 1 1 470.666 2.709 20 0 JFADMO CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001294838398 1062528980 /nfs/dbraw/zinc/52/89/80/1062528980.db2.gz LNZWAVWBRZSPMO-UHFFFAOYSA-N 1 1 490.612 2.554 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCCOCC(C)C)n1 ZINC001290645054 1062533672 /nfs/dbraw/zinc/53/36/72/1062533672.db2.gz DIKJXNYLJFLEDB-JOCHJYFZSA-N 1 1 473.666 2.892 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290645647 1062535428 /nfs/dbraw/zinc/53/54/28/1062535428.db2.gz CIJKHKOELQUIGY-IBGZPJMESA-N 1 1 482.599 2.944 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290647166 1062540301 /nfs/dbraw/zinc/54/03/01/1062540301.db2.gz CAQUYOBIUJKPPO-NHCUHLMSSA-N 1 1 459.639 2.500 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287157915 1062549332 /nfs/dbraw/zinc/54/93/32/1062549332.db2.gz ADDAMGOXOUQUAZ-SFTDATJTSA-N 1 1 492.665 2.586 20 0 JFADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1)[NH+]1CCOCC1 ZINC001287157987 1062549472 /nfs/dbraw/zinc/54/94/72/1062549472.db2.gz BDUPJFCPCWMFOB-OAQYLSRUSA-N 1 1 458.655 2.732 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290654648 1062554113 /nfs/dbraw/zinc/55/41/13/1062554113.db2.gz RGHUIZAKPJYOKM-NJYVYQBISA-N 1 1 461.680 2.827 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001287159510 1062556188 /nfs/dbraw/zinc/55/61/88/1062556188.db2.gz BRORBHDDHOQGLY-NRFANRHFSA-N 1 1 480.579 2.752 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294856617 1062556345 /nfs/dbraw/zinc/55/63/45/1062556345.db2.gz IITSELDBVCJXCI-RXVVDRJESA-N 1 1 475.037 2.596 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294856613 1062556385 /nfs/dbraw/zinc/55/63/85/1062556385.db2.gz IITSELDBVCJXCI-NQIIRXRSSA-N 1 1 475.037 2.596 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287161517 1062562919 /nfs/dbraw/zinc/56/29/19/1062562919.db2.gz AXPJOVAAQUDHSC-AQNXPRMDSA-N 1 1 489.665 2.623 20 0 JFADMO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001287161630 1062563701 /nfs/dbraw/zinc/56/37/01/1062563701.db2.gz BQYIVGHURGGQFE-NRFANRHFSA-N 1 1 461.582 2.562 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163196 1062567542 /nfs/dbraw/zinc/56/75/42/1062567542.db2.gz BPAAAOIZXBJKGB-HSALFYBXSA-N 1 1 478.638 2.590 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001287164087 1062573151 /nfs/dbraw/zinc/57/31/51/1062573151.db2.gz YEPABRSZIYWKKI-YHYVQYDKSA-N 1 1 463.573 2.711 20 0 JFADMO CCCNC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294873631 1062583279 /nfs/dbraw/zinc/58/32/79/1062583279.db2.gz YHOSLDKCGKQNDK-MOPGFXCFSA-N 1 1 477.654 2.797 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCC[NH+]2CCOCC2)cn1 ZINC001287172716 1062592891 /nfs/dbraw/zinc/59/28/91/1062592891.db2.gz UFLIDYQSLOBAHU-UHFFFAOYSA-N 1 1 450.591 2.536 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCC2)cn1 ZINC001287173177 1062595198 /nfs/dbraw/zinc/59/51/98/1062595198.db2.gz HULYDZNAXIMWPQ-IBGZPJMESA-N 1 1 475.663 2.604 20 0 JFADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287173402 1062595714 /nfs/dbraw/zinc/59/57/14/1062595714.db2.gz BZJGBOFFCHQZKK-OAQYLSRUSA-N 1 1 489.734 2.999 20 0 JFADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287173402 1062595738 /nfs/dbraw/zinc/59/57/38/1062595738.db2.gz BZJGBOFFCHQZKK-OAQYLSRUSA-N 1 1 489.734 2.999 20 0 JFADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287173402 1062595762 /nfs/dbraw/zinc/59/57/62/1062595762.db2.gz BZJGBOFFCHQZKK-OAQYLSRUSA-N 1 1 489.734 2.999 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001294882877 1062596667 /nfs/dbraw/zinc/59/66/67/1062596667.db2.gz HPJTZTASKXQIGJ-PXNSSMCTSA-N 1 1 492.571 2.620 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC001287174707 1062598041 /nfs/dbraw/zinc/59/80/41/1062598041.db2.gz SJDRKMMPKMMUND-XMMPIXPASA-N 1 1 471.556 2.764 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287174578 1062598084 /nfs/dbraw/zinc/59/80/84/1062598084.db2.gz IQSTXMSRISECGM-RBUKOAKNSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001287186531 1062613484 /nfs/dbraw/zinc/61/34/84/1062613484.db2.gz XSSXBJAUKGKZBE-HFSMHLIXSA-N 1 1 456.639 2.569 20 0 JFADMO CCCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294895078 1062623427 /nfs/dbraw/zinc/62/34/27/1062623427.db2.gz JJSOTMZSPNPRFT-UHFFFAOYSA-N 1 1 450.591 2.578 20 0 JFADMO Cc1nnc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001290698001 1062626556 /nfs/dbraw/zinc/62/65/56/1062626556.db2.gz MBGMMKHYZKECHM-UHFFFAOYSA-N 1 1 459.595 2.763 20 0 JFADMO Cc1nnc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001290698001 1062626564 /nfs/dbraw/zinc/62/65/64/1062626564.db2.gz MBGMMKHYZKECHM-UHFFFAOYSA-N 1 1 459.595 2.763 20 0 JFADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287200506 1062638246 /nfs/dbraw/zinc/63/82/46/1062638246.db2.gz DWYWKFMYRQYJTO-QFIPXVFZSA-N 1 1 497.679 2.752 20 0 JFADMO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290706838 1062640778 /nfs/dbraw/zinc/64/07/78/1062640778.db2.gz MRJDMVKEWJSVTO-JQKXYWIWSA-N 1 1 462.639 2.800 20 0 JFADMO Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290708843 1062642829 /nfs/dbraw/zinc/64/28/29/1062642829.db2.gz KOKBVYYHEKMTGC-HXUWFJFHSA-N 1 1 450.628 2.659 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287205247 1062650029 /nfs/dbraw/zinc/65/00/29/1062650029.db2.gz BCLXJSXESOLLAF-VSKRKVRLSA-N 1 1 460.667 2.987 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294909980 1062653896 /nfs/dbraw/zinc/65/38/96/1062653896.db2.gz FCZZWAVGYHWTOP-QHCPKHFHSA-N 1 1 461.614 2.891 20 0 JFADMO CC(C)c1nnc(N2CCC=C(Br)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287208530 1062654911 /nfs/dbraw/zinc/65/49/11/1062654911.db2.gz UQUFIBILISINCN-QGZVFWFLSA-N 1 1 453.429 2.833 20 0 JFADMO CC(C)c1nnc(N2CCC=C(Br)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287208529 1062654941 /nfs/dbraw/zinc/65/49/41/1062654941.db2.gz UQUFIBILISINCN-KRWDZBQOSA-N 1 1 453.429 2.833 20 0 JFADMO CC(C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001287213213 1062670328 /nfs/dbraw/zinc/67/03/28/1062670328.db2.gz ZASLVQKYJAMPJS-RBUKOAKNSA-N 1 1 457.627 2.588 20 0 JFADMO Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290759581 1062672809 /nfs/dbraw/zinc/67/28/09/1062672809.db2.gz HOWXKOOIOGGFOQ-ZVDOUQERSA-N 1 1 454.619 2.964 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287213848 1062674123 /nfs/dbraw/zinc/67/41/23/1062674123.db2.gz FWSGCICQDSUMHS-UXHICEINSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287213848 1062674132 /nfs/dbraw/zinc/67/41/32/1062674132.db2.gz FWSGCICQDSUMHS-UXHICEINSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287215946 1062688328 /nfs/dbraw/zinc/68/83/28/1062688328.db2.gz GGERQAVFRUOBMR-ROUUACIJSA-N 1 1 466.677 2.628 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287216160 1062691644 /nfs/dbraw/zinc/69/16/44/1062691644.db2.gz NTAGUIOEYCLVGT-SFHVURJKSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287216160 1062691651 /nfs/dbraw/zinc/69/16/51/1062691651.db2.gz NTAGUIOEYCLVGT-SFHVURJKSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001287216494 1062692648 /nfs/dbraw/zinc/69/26/48/1062692648.db2.gz RKWMJDUVEWLMGH-JOCHJYFZSA-N 1 1 483.661 2.647 20 0 JFADMO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001290793436 1062699750 /nfs/dbraw/zinc/69/97/50/1062699750.db2.gz UXLBLOKQWIHSSU-MRXNPFEDSA-N 1 1 464.536 2.928 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001290800427 1062705371 /nfs/dbraw/zinc/70/53/71/1062705371.db2.gz GWYCSLLFUAWPDI-LJQANCHMSA-N 1 1 454.619 2.597 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001290800427 1062705384 /nfs/dbraw/zinc/70/53/84/1062705384.db2.gz GWYCSLLFUAWPDI-LJQANCHMSA-N 1 1 454.619 2.597 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001287220687 1062705869 /nfs/dbraw/zinc/70/58/69/1062705869.db2.gz ZQWBZFIHVRRNLZ-UYAOXDASSA-N 1 1 488.599 2.744 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287222205 1062707503 /nfs/dbraw/zinc/70/75/03/1062707503.db2.gz CFIHFJNAKLQHRO-UHFFFAOYSA-N 1 1 483.705 2.766 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222391 1062707951 /nfs/dbraw/zinc/70/79/51/1062707951.db2.gz CYENPEUJGLODCD-HSZRJFAPSA-N 1 1 475.726 2.897 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)O)cc1OC ZINC001294933898 1062710210 /nfs/dbraw/zinc/71/02/10/1062710210.db2.gz PEOZRYVOFXOAAQ-IBGZPJMESA-N 1 1 473.618 2.672 20 0 JFADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001290808998 1062710626 /nfs/dbraw/zinc/71/06/26/1062710626.db2.gz LQHQKCYAKFSJML-SFHVURJKSA-N 1 1 455.607 2.640 20 0 JFADMO CC[C@@H](CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001290815866 1062713097 /nfs/dbraw/zinc/71/30/97/1062713097.db2.gz ZWEXUMCNVJUJQN-SFTDATJTSA-N 1 1 458.628 2.933 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935885 1062713981 /nfs/dbraw/zinc/71/39/81/1062713981.db2.gz ROXUZSJEYVNJIR-JWQCQUIFSA-N 1 1 473.618 2.814 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819212 1062715226 /nfs/dbraw/zinc/71/52/26/1062715226.db2.gz CWUZEUNSESDFMM-WMZHIEFXSA-N 1 1 456.537 2.813 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819212 1062715238 /nfs/dbraw/zinc/71/52/38/1062715238.db2.gz CWUZEUNSESDFMM-WMZHIEFXSA-N 1 1 456.537 2.813 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819212 1062715256 /nfs/dbraw/zinc/71/52/56/1062715256.db2.gz CWUZEUNSESDFMM-WMZHIEFXSA-N 1 1 456.537 2.813 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001294939840 1062723009 /nfs/dbraw/zinc/72/30/09/1062723009.db2.gz DWDUNQVPWCQGAB-HXUWFJFHSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294939840 1062723031 /nfs/dbraw/zinc/72/30/31/1062723031.db2.gz DWDUNQVPWCQGAB-HXUWFJFHSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294939840 1062723051 /nfs/dbraw/zinc/72/30/51/1062723051.db2.gz DWDUNQVPWCQGAB-HXUWFJFHSA-N 1 1 486.661 2.994 20 0 JFADMO Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001290832001 1062724249 /nfs/dbraw/zinc/72/42/49/1062724249.db2.gz JWAZXLXGMTVKSY-DHIUTWEWSA-N 1 1 468.646 2.723 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCC[N@H+]2CCC)cc1OC ZINC001294940222 1062725298 /nfs/dbraw/zinc/72/52/98/1062725298.db2.gz OIPLVPPTOITVDU-FQEVSTJZSA-N 1 1 470.618 2.943 20 0 JFADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001290847883 1062734386 /nfs/dbraw/zinc/73/43/86/1062734386.db2.gz JAJWOCHADKXKJS-DEOSSOPVSA-N 1 1 451.546 2.740 20 0 JFADMO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287252977 1062735562 /nfs/dbraw/zinc/73/55/62/1062735562.db2.gz NLVAGOMGGWBQJF-RTWAWAEBSA-N 1 1 475.659 2.678 20 0 JFADMO CCCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001294949921 1062736811 /nfs/dbraw/zinc/73/68/11/1062736811.db2.gz WJGOZOSAFQOZFI-QGZVFWFLSA-N 1 1 455.563 2.940 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001287273859 1062746850 /nfs/dbraw/zinc/74/68/50/1062746850.db2.gz GJJCBYAQJFUNKN-MOPGFXCFSA-N 1 1 455.607 2.907 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290867708 1062750141 /nfs/dbraw/zinc/75/01/41/1062750141.db2.gz BYFRDABTBVLTQA-UHFFFAOYSA-N 1 1 453.727 2.841 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867846 1062750880 /nfs/dbraw/zinc/75/08/80/1062750880.db2.gz DOENWFJECMDKQO-JOCHJYFZSA-N 1 1 457.619 2.748 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290868487 1062751399 /nfs/dbraw/zinc/75/13/99/1062751399.db2.gz YVGFFDSPBJHXAC-JOCHJYFZSA-N 1 1 459.683 2.620 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290869612 1062753916 /nfs/dbraw/zinc/75/39/16/1062753916.db2.gz KFFZOYKJCKIXFJ-CEMLEFRQSA-N 1 1 459.683 2.524 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290870775 1062756790 /nfs/dbraw/zinc/75/67/90/1062756790.db2.gz XJEQXCQIWRYCQB-FQEVSTJZSA-N 1 1 459.683 2.668 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290870822 1062756853 /nfs/dbraw/zinc/75/68/53/1062756853.db2.gz YDBFUKWURKBGIH-URXFXBBRSA-N 1 1 467.662 2.535 20 0 JFADMO Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290873724 1062758944 /nfs/dbraw/zinc/75/89/44/1062758944.db2.gz IKKPEMVTEGKAII-UHFFFAOYSA-N 1 1 461.680 2.774 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876290 1062760351 /nfs/dbraw/zinc/76/03/51/1062760351.db2.gz LVLVJCWUGYDSTM-JOCHJYFZSA-N 1 1 463.026 2.550 20 0 JFADMO CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294976867 1062760937 /nfs/dbraw/zinc/76/09/37/1062760937.db2.gz DMWLWUUTZAYTSZ-TZIWHRDSSA-N 1 1 469.634 2.767 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290887420 1062766249 /nfs/dbraw/zinc/76/62/49/1062766249.db2.gz FAWHIEFKMFEMQW-NHCUHLMSSA-N 1 1 479.000 2.900 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290887421 1062766448 /nfs/dbraw/zinc/76/64/48/1062766448.db2.gz FAWHIEFKMFEMQW-RTWAWAEBSA-N 1 1 479.000 2.900 20 0 JFADMO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891534 1062769097 /nfs/dbraw/zinc/76/90/97/1062769097.db2.gz NLUHBXBYLLGCAL-SJLPKXTDSA-N 1 1 459.450 2.891 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891534 1062769120 /nfs/dbraw/zinc/76/91/20/1062769120.db2.gz NLUHBXBYLLGCAL-SJLPKXTDSA-N 1 1 459.450 2.891 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001287298454 1062770573 /nfs/dbraw/zinc/77/05/73/1062770573.db2.gz BXLBATFBNGEDMN-LNRXMEIDSA-N 1 1 463.667 2.905 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001287299064 1062772093 /nfs/dbraw/zinc/77/20/93/1062772093.db2.gz MKESZRSFCUWKJN-JXQFQVJHSA-N 1 1 494.706 2.995 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001295001415 1062787256 /nfs/dbraw/zinc/78/72/56/1062787256.db2.gz ABCZALMTAQVMTP-UXHICEINSA-N 1 1 455.669 2.696 20 0 JFADMO Cc1noc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001290913807 1062788634 /nfs/dbraw/zinc/78/86/34/1062788634.db2.gz IXQTVGQSINWZKR-UHFFFAOYSA-N 1 1 457.604 2.648 20 0 JFADMO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328928 1062804420 /nfs/dbraw/zinc/80/44/20/1062804420.db2.gz OXPPBAKLGJIDKF-RPWUZVMVSA-N 1 1 498.720 2.548 20 0 JFADMO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329173 1062805090 /nfs/dbraw/zinc/80/50/90/1062805090.db2.gz RTRJEACWAUDNSP-DQEYMECFSA-N 1 1 498.720 2.548 20 0 JFADMO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290944602 1062818637 /nfs/dbraw/zinc/81/86/37/1062818637.db2.gz SJKZDWIUTMOUJP-VQTJNVASSA-N 1 1 472.638 2.860 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295020769 1062821519 /nfs/dbraw/zinc/82/15/19/1062821519.db2.gz DLQHKQBKCQRDFQ-RBUKOAKNSA-N 1 1 466.696 2.649 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001295021462 1062823216 /nfs/dbraw/zinc/82/32/16/1062823216.db2.gz KNKCWPQRYYRHTG-GOSISDBHSA-N 1 1 463.652 2.549 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295021469 1062823703 /nfs/dbraw/zinc/82/37/03/1062823703.db2.gz KODBHRMESIYBAH-QHCPKHFHSA-N 1 1 488.702 2.976 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287351980 1062824071 /nfs/dbraw/zinc/82/40/71/1062824071.db2.gz LHNWCLQHCWWLRW-FCHUYYIVSA-N 1 1 470.666 2.729 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287356019 1062826267 /nfs/dbraw/zinc/82/62/67/1062826267.db2.gz JVTGNGGSOBIGCF-FCHUYYIVSA-N 1 1 459.660 2.665 20 0 JFADMO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287375104 1062833598 /nfs/dbraw/zinc/83/35/98/1062833598.db2.gz VZWYVKMSOROSQU-OAQYLSRUSA-N 1 1 450.672 2.525 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287385393 1062836480 /nfs/dbraw/zinc/83/64/80/1062836480.db2.gz PVEHSOLRRKLGQV-IPMKNSEASA-N 1 1 458.573 2.518 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287385394 1062836650 /nfs/dbraw/zinc/83/66/50/1062836650.db2.gz PVEHSOLRRKLGQV-OTWHNJEPSA-N 1 1 458.573 2.518 20 0 JFADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001295041644 1062839119 /nfs/dbraw/zinc/83/91/19/1062839119.db2.gz LEIDYACIYDFWFF-CYBMUJFWSA-N 1 1 455.930 2.731 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCc1cnn(C)n1 ZINC001287412394 1062851402 /nfs/dbraw/zinc/85/14/02/1062851402.db2.gz FSOBVSHGWDOIGC-BGYRXZFFSA-N 1 1 458.655 2.564 20 0 JFADMO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001295052606 1062855714 /nfs/dbraw/zinc/85/57/14/1062855714.db2.gz BUSURYUEVOMWMW-RBUKOAKNSA-N 1 1 455.607 2.544 20 0 JFADMO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001287425340 1062863578 /nfs/dbraw/zinc/86/35/78/1062863578.db2.gz HTOBGRKOKUGQQM-SFHVURJKSA-N 1 1 455.607 2.503 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287445496 1062879740 /nfs/dbraw/zinc/87/97/40/1062879740.db2.gz AUIPWUIEDIDNCS-SFTDATJTSA-N 1 1 489.709 2.550 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001290998196 1062890776 /nfs/dbraw/zinc/89/07/76/1062890776.db2.gz GMPUBCZFIMQMIA-SVFBPWRDSA-N 1 1 496.722 2.746 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001287456113 1062892751 /nfs/dbraw/zinc/89/27/51/1062892751.db2.gz IMCOORPFJUXKDK-UHFFFAOYSA-N 1 1 481.689 2.920 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001287456113 1062892773 /nfs/dbraw/zinc/89/27/73/1062892773.db2.gz IMCOORPFJUXKDK-UHFFFAOYSA-N 1 1 481.689 2.920 20 0 JFADMO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001290999195 1062893915 /nfs/dbraw/zinc/89/39/15/1062893915.db2.gz JLIMMZHMFJMWAJ-MDOVXXIYSA-N 1 1 451.413 2.595 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000677 1062896364 /nfs/dbraw/zinc/89/63/64/1062896364.db2.gz WUYZUOOJHHYOLM-LFDJNIOPSA-N 1 1 454.685 2.880 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287461676 1062899040 /nfs/dbraw/zinc/89/90/40/1062899040.db2.gz ABNHZRAZMGOHNJ-SFTDATJTSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287461676 1062899057 /nfs/dbraw/zinc/89/90/57/1062899057.db2.gz ABNHZRAZMGOHNJ-SFTDATJTSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291002500 1062899900 /nfs/dbraw/zinc/89/99/00/1062899900.db2.gz VMINUOSMSZRGNO-SRCYTUNASA-N 1 1 490.693 2.744 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001295075803 1062902966 /nfs/dbraw/zinc/90/29/66/1062902966.db2.gz QLFYOPNZMUGIDP-SIKLNZKXSA-N 1 1 470.618 2.890 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009352 1062906401 /nfs/dbraw/zinc/90/64/01/1062906401.db2.gz DPZQRBAJQRNQHR-HCXYKTFWSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H]1CN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001295079286 1062909458 /nfs/dbraw/zinc/90/94/58/1062909458.db2.gz XIUQYRFQTOHQBG-MSOLQXFVSA-N 1 1 454.575 2.805 20 0 JFADMO C[C@@H]1CN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001295079286 1062909490 /nfs/dbraw/zinc/90/94/90/1062909490.db2.gz XIUQYRFQTOHQBG-MSOLQXFVSA-N 1 1 454.575 2.805 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291010848 1062910097 /nfs/dbraw/zinc/91/00/97/1062910097.db2.gz BRFNQFANAJUAQA-WOZUAGRISA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011246 1062911721 /nfs/dbraw/zinc/91/17/21/1062911721.db2.gz HQILVIULNUOABZ-QHAWAJNXSA-N 1 1 475.682 2.525 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001287465533 1062912173 /nfs/dbraw/zinc/91/21/73/1062912173.db2.gz MGDDJXDGDBJZIL-XMMPIXPASA-N 1 1 467.662 2.700 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001287465539 1062912372 /nfs/dbraw/zinc/91/23/72/1062912372.db2.gz MRKCOOQXYGEFQL-FGZHOGPDSA-N 1 1 473.710 2.778 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012419 1062916303 /nfs/dbraw/zinc/91/63/03/1062916303.db2.gz ZCPLWIFALSSFML-ZLNRFVROSA-N 1 1 494.750 2.859 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291014147 1062923116 /nfs/dbraw/zinc/92/31/16/1062923116.db2.gz XZWQJJNUFSGDHC-ZCNNSNEGSA-N 1 1 454.610 2.927 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001291014894 1062924521 /nfs/dbraw/zinc/92/45/21/1062924521.db2.gz JUKWRQVNCXVRCE-SZPZYZBQSA-N 1 1 499.679 2.586 20 0 JFADMO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094942 1062927969 /nfs/dbraw/zinc/92/79/69/1062927969.db2.gz PRRMTXBJZUHOOC-UZLBHIALSA-N 1 1 453.486 2.720 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287476692 1062931452 /nfs/dbraw/zinc/93/14/52/1062931452.db2.gz OECXMDSPCVZOKM-NRFANRHFSA-N 1 1 489.686 2.781 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287476692 1062931479 /nfs/dbraw/zinc/93/14/79/1062931479.db2.gz OECXMDSPCVZOKM-NRFANRHFSA-N 1 1 489.686 2.781 20 0 JFADMO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001295111057 1062934695 /nfs/dbraw/zinc/93/46/95/1062934695.db2.gz QMWVPVHFGXSZON-SFHVURJKSA-N 1 1 453.591 2.539 20 0 JFADMO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295114078 1062935511 /nfs/dbraw/zinc/93/55/11/1062935511.db2.gz SZDJMNIPDPWPKW-OTWHNJEPSA-N 1 1 480.654 2.930 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287481583 1062936988 /nfs/dbraw/zinc/93/69/88/1062936988.db2.gz GAGCVNFILRVMNU-KRWDZBQOSA-N 1 1 467.540 2.829 20 0 JFADMO C[C@H]1C[C@@H](CCn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001291020833 1062938326 /nfs/dbraw/zinc/93/83/26/1062938326.db2.gz KWHLQOQNALAYIP-KSEOMHKRSA-N 1 1 475.659 2.911 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287482429 1062939089 /nfs/dbraw/zinc/93/90/89/1062939089.db2.gz TZCOGYNJZZQTEI-XMMPIXPASA-N 1 1 497.688 2.737 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001295126022 1062939945 /nfs/dbraw/zinc/93/99/45/1062939945.db2.gz CICRWWUWKNPHEM-HSZRJFAPSA-N 1 1 468.646 2.977 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)c1 ZINC001295126374 1062942012 /nfs/dbraw/zinc/94/20/12/1062942012.db2.gz DZLKYNABPNCMDD-LJQANCHMSA-N 1 1 474.656 2.773 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C3CC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC001295126647 1062943112 /nfs/dbraw/zinc/94/31/12/1062943112.db2.gz HGFWFCVPEOOHCG-UHFFFAOYSA-N 1 1 460.648 2.516 20 0 JFADMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001291022840 1062943429 /nfs/dbraw/zinc/94/34/29/1062943429.db2.gz MDICAUNQIKKRGL-FCGDIQPGSA-N 1 1 496.703 2.648 20 0 JFADMO CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295126834 1062943490 /nfs/dbraw/zinc/94/34/90/1062943490.db2.gz IOBODJUORUSDLZ-QHCPKHFHSA-N 1 1 499.685 2.653 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287488357 1062946255 /nfs/dbraw/zinc/94/62/55/1062946255.db2.gz AHDUTAFIHRHTAE-OHUGHZGNSA-N 1 1 473.666 2.850 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(C)noc2C)c1 ZINC001295128034 1062948186 /nfs/dbraw/zinc/94/81/86/1062948186.db2.gz ZQTRNQPSQVLNML-NRFANRHFSA-N 1 1 451.575 2.970 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC001295128166 1062948970 /nfs/dbraw/zinc/94/89/70/1062948970.db2.gz YFUVVXHDVDNIAM-QFIPXVFZSA-N 1 1 483.661 2.912 20 0 JFADMO CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC001295133853 1062951072 /nfs/dbraw/zinc/95/10/72/1062951072.db2.gz BBMVNHTVBDRYPJ-FQEVSTJZSA-N 1 1 461.655 2.518 20 0 JFADMO CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287506459 1062954727 /nfs/dbraw/zinc/95/47/27/1062954727.db2.gz SNZCOVJKXUBZHY-MSOLQXFVSA-N 1 1 464.565 2.940 20 0 JFADMO C[C@@H]1C[C@@H](N(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001291032526 1062964076 /nfs/dbraw/zinc/96/40/76/1062964076.db2.gz PVJKGDOISVVFAZ-IRLDBZIGSA-N 1 1 468.646 2.924 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1csc(I)c1 ZINC001295145924 1062966710 /nfs/dbraw/zinc/96/67/10/1062966710.db2.gz HRJSYPGARFRYCW-HOTGVXAUSA-N 1 1 456.349 2.966 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(I)cc1 ZINC001295145558 1062967114 /nfs/dbraw/zinc/96/71/14/1062967114.db2.gz FUBNQVBMKJQYFQ-PKOBYXMFSA-N 1 1 450.320 2.904 20 0 JFADMO C[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291039330 1062969366 /nfs/dbraw/zinc/96/93/66/1062969366.db2.gz ASPZNQCTGBFRQS-QRVBRYPASA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291039330 1062969389 /nfs/dbraw/zinc/96/93/89/1062969389.db2.gz ASPZNQCTGBFRQS-QRVBRYPASA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001291052021 1062983315 /nfs/dbraw/zinc/98/33/15/1062983315.db2.gz NCFSAQXWPOSRLP-ZCNNSNEGSA-N 1 1 470.609 2.796 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287583445 1062994524 /nfs/dbraw/zinc/99/45/24/1062994524.db2.gz RYNVTVDBUWMCOM-FCHUYYIVSA-N 1 1 454.619 2.717 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287583451 1062994685 /nfs/dbraw/zinc/99/46/85/1062994685.db2.gz RYNVTVDBUWMCOM-VXKWHMMOSA-N 1 1 454.619 2.717 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295180344 1063002324 /nfs/dbraw/zinc/00/23/24/1063002324.db2.gz JAVOETDHAQEMRN-RBBKRZOGSA-N 1 1 468.627 2.965 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291063020 1063002898 /nfs/dbraw/zinc/00/28/98/1063002898.db2.gz IYMBHAOCRCCTAU-DLBZAZTESA-N 1 1 474.675 2.942 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291063020 1063002917 /nfs/dbraw/zinc/00/29/17/1063002917.db2.gz IYMBHAOCRCCTAU-DLBZAZTESA-N 1 1 474.675 2.942 20 0 JFADMO CCN(c1nnc(-c2ccccc2OC)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295180488 1063002954 /nfs/dbraw/zinc/00/29/54/1063002954.db2.gz KOORIPXQQNLJOE-IBGZPJMESA-N 1 1 472.615 2.952 20 0 JFADMO CC(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287615127 1063004520 /nfs/dbraw/zinc/00/45/20/1063004520.db2.gz QKWBFKLPAFUOLO-UHFFFAOYSA-N 1 1 467.618 2.785 20 0 JFADMO CC(C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287615127 1063004541 /nfs/dbraw/zinc/00/45/41/1063004541.db2.gz QKWBFKLPAFUOLO-UHFFFAOYSA-N 1 1 467.618 2.785 20 0 JFADMO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295205060 1063021432 /nfs/dbraw/zinc/02/14/32/1063021432.db2.gz CXWHSGHJFLXALO-VSKRKVRLSA-N 1 1 475.659 2.797 20 0 JFADMO CC(C)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287690257 1063038863 /nfs/dbraw/zinc/03/88/63/1063038863.db2.gz GTVCHWLMDXSKNI-QFIPXVFZSA-N 1 1 478.688 2.570 20 0 JFADMO CC(C)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287690256 1063038939 /nfs/dbraw/zinc/03/89/39/1063038939.db2.gz GTVCHWLMDXSKNI-JOCHJYFZSA-N 1 1 478.688 2.570 20 0 JFADMO CCC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC[N@H+]1CCOC ZINC001295222775 1063043164 /nfs/dbraw/zinc/04/31/64/1063043164.db2.gz CTPLHGXPTHNVAR-UXHICEINSA-N 1 1 454.409 2.976 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)C1 ZINC001291095894 1063055793 /nfs/dbraw/zinc/05/57/93/1063055793.db2.gz UXAXSAXLDDXHAS-PMACEKPBSA-N 1 1 462.664 2.809 20 0 JFADMO C[C@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001291095786 1063055832 /nfs/dbraw/zinc/05/58/32/1063055832.db2.gz SMPZPKUSIJZJGK-RGKFVRLKSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095967 1063056500 /nfs/dbraw/zinc/05/65/00/1063056500.db2.gz VXXNVLMPPDBCNM-WOJBJXKFSA-N 1 1 458.655 2.841 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096323 1063057144 /nfs/dbraw/zinc/05/71/44/1063057144.db2.gz BWRYXODSLGELMC-WOJBJXKFSA-N 1 1 468.712 2.897 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096889 1063058931 /nfs/dbraw/zinc/05/89/31/1063058931.db2.gz MLOIGNVNOVBHRR-IEBWSBKVSA-N 1 1 468.593 2.992 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736523 1063059747 /nfs/dbraw/zinc/05/97/47/1063059747.db2.gz ATYJWHNCRUKKIL-WCIQWLHISA-N 1 1 452.669 2.635 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097047 1063059771 /nfs/dbraw/zinc/05/97/71/1063059771.db2.gz PBJYNJPTPURHIJ-WOJBJXKFSA-N 1 1 488.681 2.514 20 0 JFADMO CCN(c1nnc(CCc2ccccc2)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295240309 1063060106 /nfs/dbraw/zinc/06/01/06/1063060106.db2.gz NPZFTSZOHCGYOX-RBBKRZOGSA-N 1 1 459.660 2.809 20 0 JFADMO CCN(c1nnc(CCc2ccccc2)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295240310 1063060231 /nfs/dbraw/zinc/06/02/31/1063060231.db2.gz NPZFTSZOHCGYOX-UNMCSNQZSA-N 1 1 459.660 2.809 20 0 JFADMO CCN(c1nnc(CCc2ccccc2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295240308 1063060454 /nfs/dbraw/zinc/06/04/54/1063060454.db2.gz NPZFTSZOHCGYOX-IRLDBZIGSA-N 1 1 459.660 2.809 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097317 1063060482 /nfs/dbraw/zinc/06/04/82/1063060482.db2.gz SRBDZSJFSSVSQD-ZWKOTPCHSA-N 1 1 466.677 2.928 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001287738052 1063060826 /nfs/dbraw/zinc/06/08/26/1063060826.db2.gz MYAUYDKKLSSYSD-YRPNKDGESA-N 1 1 454.685 2.739 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001287738223 1063060872 /nfs/dbraw/zinc/06/08/72/1063060872.db2.gz NUDZPLCVPNFGAH-UXHICEINSA-N 1 1 475.659 2.942 20 0 JFADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)CC1 ZINC001295240735 1063060914 /nfs/dbraw/zinc/06/09/14/1063060914.db2.gz IXEQQNZRMKKDMR-LJQANCHMSA-N 1 1 454.600 2.562 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291098111 1063061774 /nfs/dbraw/zinc/06/17/74/1063061774.db2.gz IAFKHWWFVIUVDR-ZWKOTPCHSA-N 1 1 472.556 2.823 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291098361 1063061821 /nfs/dbraw/zinc/06/18/21/1063061821.db2.gz MSJPEZIITUXJNS-LJQANCHMSA-N 1 1 485.599 2.853 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)CCN1S(C)(=O)=O ZINC001291098459 1063062327 /nfs/dbraw/zinc/06/23/27/1063062327.db2.gz OGVQTSROPZBXTN-OALUTQOASA-N 1 1 454.685 2.700 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291098637 1063063231 /nfs/dbraw/zinc/06/32/31/1063063231.db2.gz RKJQSQCFJCGQTH-NHCUHLMSSA-N 1 1 474.675 2.975 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001291098968 1063063999 /nfs/dbraw/zinc/06/39/99/1063063999.db2.gz YVNKULSCCVBUBR-IBGZPJMESA-N 1 1 479.622 2.886 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001287739967 1063064197 /nfs/dbraw/zinc/06/41/97/1063064197.db2.gz BYQWMMOACFNWCA-SIKLNZKXSA-N 1 1 493.649 2.988 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001287740798 1063067004 /nfs/dbraw/zinc/06/70/04/1063067004.db2.gz GYNNGDNXNYCGNI-JOCHJYFZSA-N 1 1 487.718 2.509 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)C1 ZINC001287741651 1063067957 /nfs/dbraw/zinc/06/79/57/1063067957.db2.gz IWTIDBHACKYFAL-LEWJYISDSA-N 1 1 473.710 2.733 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287742065 1063068722 /nfs/dbraw/zinc/06/87/22/1063068722.db2.gz LRWGVMLORCUUHY-UYAOXDASSA-N 1 1 453.653 2.511 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001291100905 1063069123 /nfs/dbraw/zinc/06/91/23/1063069123.db2.gz JUOAFYTWGBVJGK-SFHVURJKSA-N 1 1 486.646 2.937 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291101097 1063070960 /nfs/dbraw/zinc/07/09/60/1063070960.db2.gz NAWHAGFOHGPFBL-LJQANCHMSA-N 1 1 477.617 2.905 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001291101379 1063072253 /nfs/dbraw/zinc/07/22/53/1063072253.db2.gz SHUDCYQZSZCCKS-LJQANCHMSA-N 1 1 476.666 2.860 20 0 JFADMO CC(C)OCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291101551 1063073116 /nfs/dbraw/zinc/07/31/16/1063073116.db2.gz WORMFALZORLPRM-QFIPXVFZSA-N 1 1 489.709 2.572 20 0 JFADMO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256673 1063073174 /nfs/dbraw/zinc/07/31/74/1063073174.db2.gz ORIHTFWFWOHIBQ-AZUAARDMSA-N 1 1 479.622 2.742 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102166 1063075192 /nfs/dbraw/zinc/07/51/92/1063075192.db2.gz INKVEDPQXJWRSY-RBBKRZOGSA-N 1 1 489.686 2.690 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291102266 1063076632 /nfs/dbraw/zinc/07/66/32/1063076632.db2.gz JYIVCZLBXFJBKR-RTWAWAEBSA-N 1 1 489.709 2.534 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(C)(=O)=O)CC1 ZINC001287751056 1063076823 /nfs/dbraw/zinc/07/68/23/1063076823.db2.gz DLEBQMKTRIVCTA-UHFFFAOYSA-N 1 1 470.437 2.530 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291102365 1063077459 /nfs/dbraw/zinc/07/74/59/1063077459.db2.gz MBGXLCKZWMFBSN-SFTDATJTSA-N 1 1 460.667 2.987 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103285 1063080135 /nfs/dbraw/zinc/08/01/35/1063080135.db2.gz BFNOQAFAMKUDBC-AQNXPRMDSA-N 1 1 470.618 2.813 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291103562 1063080457 /nfs/dbraw/zinc/08/04/57/1063080457.db2.gz GWIDRMBQQYWQIU-IBGZPJMESA-N 1 1 466.696 2.603 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291103842 1063082299 /nfs/dbraw/zinc/08/22/99/1063082299.db2.gz LMPXGOADTQWLKF-RBUKOAKNSA-N 1 1 482.633 2.528 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC001291103961 1063082389 /nfs/dbraw/zinc/08/23/89/1063082389.db2.gz MUTJEBQNYZYFSG-FCGDIQPGSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001291104199 1063083590 /nfs/dbraw/zinc/08/35/90/1063083590.db2.gz QPPUAKCIZWPODV-TZIWHRDSSA-N 1 1 480.723 2.849 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCNC(=O)CC2)C1 ZINC001291104665 1063084821 /nfs/dbraw/zinc/08/48/21/1063084821.db2.gz YOLSTFJMRHAMGP-HXUWFJFHSA-N 1 1 454.619 2.736 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC001291105745 1063088752 /nfs/dbraw/zinc/08/87/52/1063088752.db2.gz NEUZOOWOISTUAZ-KURKYZTESA-N 1 1 466.627 2.784 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105744 1063089038 /nfs/dbraw/zinc/08/90/38/1063089038.db2.gz NEUZOOWOISTUAZ-FGTMMUONSA-N 1 1 466.627 2.784 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291106022 1063090895 /nfs/dbraw/zinc/09/08/95/1063090895.db2.gz QREMFRBREHIZAH-FCHUYYIVSA-N 1 1 459.683 2.656 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106186 1063092299 /nfs/dbraw/zinc/09/22/99/1063092299.db2.gz SQYOZMDAHXRSGS-LTFPLMDUSA-N 1 1 489.665 2.699 20 0 JFADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106544 1063092860 /nfs/dbraw/zinc/09/28/60/1063092860.db2.gz XHBZEQAJHDNEDZ-YSTOQKLRSA-N 1 1 489.665 2.843 20 0 JFADMO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106665 1063093810 /nfs/dbraw/zinc/09/38/10/1063093810.db2.gz YVMNGTCPLYPYSV-SJORKVTESA-N 1 1 462.545 2.993 20 0 JFADMO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106662 1063093958 /nfs/dbraw/zinc/09/39/58/1063093958.db2.gz YVMNGTCPLYPYSV-DLBZAZTESA-N 1 1 462.545 2.993 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291107071 1063094824 /nfs/dbraw/zinc/09/48/24/1063094824.db2.gz FUXDFNBTQGKHSK-QZTJIDSGSA-N 1 1 467.611 2.597 20 0 JFADMO CCN(C1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCC[C@H]2C)CC1)S(C)(=O)=O ZINC001295272497 1063097633 /nfs/dbraw/zinc/09/76/33/1063097633.db2.gz CMQBIUGIVSRNSY-GOSISDBHSA-N 1 1 480.704 2.665 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107884 1063098302 /nfs/dbraw/zinc/09/83/02/1063098302.db2.gz NRHXHWVIKRRMEI-QRVBRYPASA-N 1 1 458.582 2.818 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108277 1063099040 /nfs/dbraw/zinc/09/90/40/1063099040.db2.gz SWECNPKKSPDGQL-ZSXDVEMLSA-N 1 1 455.694 2.631 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108275 1063099193 /nfs/dbraw/zinc/09/91/93/1063099193.db2.gz SWECNPKKSPDGQL-IEWDOMPSSA-N 1 1 455.694 2.631 20 0 JFADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108417 1063099785 /nfs/dbraw/zinc/09/97/85/1063099785.db2.gz VXRQWQGUPKZCIZ-VAMGGRTRSA-N 1 1 468.712 2.753 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109432 1063104401 /nfs/dbraw/zinc/10/44/01/1063104401.db2.gz MAOOIVHYOXONIE-UAFMIMERSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109813 1063106325 /nfs/dbraw/zinc/10/63/25/1063106325.db2.gz RRDZOSNSHRLVEF-PNBKFKSVSA-N 1 1 486.593 2.529 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123021 1063136263 /nfs/dbraw/zinc/13/62/63/1063136263.db2.gz CLYHVOYJPJTCMD-PLACYPQZSA-N 1 1 482.695 2.548 20 0 JFADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123677 1063139297 /nfs/dbraw/zinc/13/92/97/1063139297.db2.gz OUQHWJGWBKMKGD-SFTDATJTSA-N 1 1 459.683 2.703 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291123767 1063140525 /nfs/dbraw/zinc/14/05/25/1063140525.db2.gz QFJKWUNULUPLTE-OAQYLSRUSA-N 1 1 487.693 2.767 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291124274 1063142601 /nfs/dbraw/zinc/14/26/01/1063142601.db2.gz ALMBRQYZIJQBKI-FQEVSTJZSA-N 1 1 485.681 2.821 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124556 1063143884 /nfs/dbraw/zinc/14/38/84/1063143884.db2.gz GNOVOIFLWLARHJ-RBBKRZOGSA-N 1 1 496.722 2.892 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001291124878 1063145641 /nfs/dbraw/zinc/14/56/41/1063145641.db2.gz LHPRSCVZMGONTA-IFMALSPDSA-N 1 1 460.667 2.989 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291124835 1063145695 /nfs/dbraw/zinc/14/56/95/1063145695.db2.gz KSEHXEHHLOVVEM-HXUWFJFHSA-N 1 1 483.665 2.877 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124788 1063145816 /nfs/dbraw/zinc/14/58/16/1063145816.db2.gz KDYRKGRGTPFCCS-IBGZPJMESA-N 1 1 466.696 2.603 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)C1 ZINC001291125484 1063147831 /nfs/dbraw/zinc/14/78/31/1063147831.db2.gz VIEUZVBXRNLCOP-CEXWTWQISA-N 1 1 455.694 2.634 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001291125426 1063147908 /nfs/dbraw/zinc/14/79/08/1063147908.db2.gz UUCLQINPHUMKAG-ROUUACIJSA-N 1 1 466.677 2.785 20 0 JFADMO C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291125682 1063148819 /nfs/dbraw/zinc/14/88/19/1063148819.db2.gz ZFAYWFNARHXVCB-CZYKHXBRSA-N 1 1 496.722 2.748 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291125690 1063149880 /nfs/dbraw/zinc/14/98/80/1063149880.db2.gz ZGWQZXVMQSNKMO-MSOLQXFVSA-N 1 1 460.573 2.971 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)Cc2ccccn2)C1 ZINC001291126233 1063153227 /nfs/dbraw/zinc/15/32/27/1063153227.db2.gz IUXASVUCYRNOJA-HXUWFJFHSA-N 1 1 497.669 2.959 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001291126220 1063153495 /nfs/dbraw/zinc/15/34/95/1063153495.db2.gz IKLDTISFPNAKSL-PZJWPPBQSA-N 1 1 490.674 2.543 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001291126261 1063154739 /nfs/dbraw/zinc/15/47/39/1063154739.db2.gz JCMKNHNVKWKEMY-OAHLLOKOSA-N 1 1 487.468 2.639 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001291126798 1063156825 /nfs/dbraw/zinc/15/68/25/1063156825.db2.gz SXGGEKAXKSMKDQ-GOSISDBHSA-N 1 1 475.037 2.802 20 0 JFADMO CC(C)N(Cc1ccco1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126884 1063156921 /nfs/dbraw/zinc/15/69/21/1063156921.db2.gz VEIWWFYPYDZXRY-MSOLQXFVSA-N 1 1 452.625 2.628 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291127087 1063158911 /nfs/dbraw/zinc/15/89/11/1063158911.db2.gz YLZYCLVMUPIWQG-OALUTQOASA-N 1 1 458.582 2.820 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127112 1063160317 /nfs/dbraw/zinc/16/03/17/1063160317.db2.gz YXALBVUYHAZGNZ-HRAATJIYSA-N 1 1 474.572 2.678 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127098 1063160336 /nfs/dbraw/zinc/16/03/36/1063160336.db2.gz YQFRHIMKEPQEDB-RTWAWAEBSA-N 1 1 481.645 2.638 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001291127792 1063161780 /nfs/dbraw/zinc/16/17/80/1063161780.db2.gz MICCRUXTENVDTG-PMACEKPBSA-N 1 1 470.666 2.789 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001295303095 1063163106 /nfs/dbraw/zinc/16/31/06/1063163106.db2.gz QNXZEDIYVJWZBH-SFTDATJTSA-N 1 1 495.672 2.963 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291128647 1063164361 /nfs/dbraw/zinc/16/43/61/1063164361.db2.gz ACEDQVYSWVWLJJ-IEBWSBKVSA-N 1 1 479.551 2.501 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001291128675 1063165305 /nfs/dbraw/zinc/16/53/05/1063165305.db2.gz AQSKQNKHWDWGMS-AQNXPRMDSA-N 1 1 462.639 2.960 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001295305581 1063167952 /nfs/dbraw/zinc/16/79/52/1063167952.db2.gz KLFQMSMSRIBKSL-HXUWFJFHSA-N 1 1 471.650 2.859 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001295305581 1063167966 /nfs/dbraw/zinc/16/79/66/1063167966.db2.gz KLFQMSMSRIBKSL-HXUWFJFHSA-N 1 1 471.650 2.859 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291129052 1063168667 /nfs/dbraw/zinc/16/86/67/1063168667.db2.gz HTVDBHRNYMZCIP-KRWDZBQOSA-N 1 1 451.662 2.676 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129346 1063170036 /nfs/dbraw/zinc/17/00/36/1063170036.db2.gz MQLVYIUHRZFSFD-DLBZAZTESA-N 1 1 469.602 2.748 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129494 1063172234 /nfs/dbraw/zinc/17/22/34/1063172234.db2.gz OYLGKPOMRYUUNA-VQTJNVASSA-N 1 1 472.659 2.882 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129945 1063174697 /nfs/dbraw/zinc/17/46/97/1063174697.db2.gz XNURJKDXWMCSOB-OALUTQOASA-N 1 1 491.681 2.825 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291131172 1063179033 /nfs/dbraw/zinc/17/90/33/1063179033.db2.gz WPZIWLPWBQSYTO-UAFMIMERSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136391 1063191961 /nfs/dbraw/zinc/19/19/61/1063191961.db2.gz VVHUBUMWQVTVCK-QGZVFWFLSA-N 1 1 474.009 2.727 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291136566 1063193467 /nfs/dbraw/zinc/19/34/67/1063193467.db2.gz ZLMSKSNQRHWTNG-ROUUACIJSA-N 1 1 484.605 2.513 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291136890 1063194388 /nfs/dbraw/zinc/19/43/88/1063194388.db2.gz GOFRNWCWUMSHEQ-INIZCTEOSA-N 1 1 499.056 2.988 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291137367 1063195646 /nfs/dbraw/zinc/19/56/46/1063195646.db2.gz PGPLIRWNHXVDBE-ZWKOTPCHSA-N 1 1 458.611 2.609 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137604 1063197799 /nfs/dbraw/zinc/19/77/99/1063197799.db2.gz TZOAOUAGVGDHEQ-ROUUACIJSA-N 1 1 456.595 2.665 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291138473 1063200025 /nfs/dbraw/zinc/20/00/25/1063200025.db2.gz KETMWVXGZSBFBH-SFHVURJKSA-N 1 1 495.093 2.867 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291138960 1063201492 /nfs/dbraw/zinc/20/14/92/1063201492.db2.gz UCKXZUJFFJKXKX-IRXDYDNUSA-N 1 1 491.434 2.806 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291139214 1063202084 /nfs/dbraw/zinc/20/20/84/1063202084.db2.gz XYLKQVDAAACNAS-HNNXBMFYSA-N 1 1 477.038 2.777 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291139074 1063202345 /nfs/dbraw/zinc/20/23/45/1063202345.db2.gz VJPQJBUYWRRZKC-AZUAARDMSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140475 1063208790 /nfs/dbraw/zinc/20/87/90/1063208790.db2.gz ZFURNDJGBDIEOO-MSOLQXFVSA-N 1 1 450.628 2.790 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001295326787 1063216108 /nfs/dbraw/zinc/21/61/08/1063216108.db2.gz AWAUXTCMRVCSJT-IFMALSPDSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001295326787 1063216128 /nfs/dbraw/zinc/21/61/28/1063216128.db2.gz AWAUXTCMRVCSJT-IFMALSPDSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001295326780 1063216244 /nfs/dbraw/zinc/21/62/44/1063216244.db2.gz AMUJEFAMWYIGCE-DEOSSOPVSA-N 1 1 490.052 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001295326780 1063216265 /nfs/dbraw/zinc/21/62/65/1063216265.db2.gz AMUJEFAMWYIGCE-DEOSSOPVSA-N 1 1 490.052 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccccc2)CC1 ZINC001295327032 1063219899 /nfs/dbraw/zinc/21/98/99/1063219899.db2.gz LNLYBOIHPAOWFT-NRFANRHFSA-N 1 1 476.629 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccccc2)CC1 ZINC001295327032 1063219917 /nfs/dbraw/zinc/21/99/17/1063219917.db2.gz LNLYBOIHPAOWFT-NRFANRHFSA-N 1 1 476.629 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2CCN(C)c2ccccc2)CC1 ZINC001295327126 1063221407 /nfs/dbraw/zinc/22/14/07/1063221407.db2.gz OIKAYWVGCSNGNF-UHFFFAOYSA-N 1 1 492.672 2.801 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2CCN(C)c2ccccc2)CC1 ZINC001295327126 1063221426 /nfs/dbraw/zinc/22/14/26/1063221426.db2.gz OIKAYWVGCSNGNF-UHFFFAOYSA-N 1 1 492.672 2.801 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCCN2CCCCC2=O)CC1 ZINC001295327449 1063222811 /nfs/dbraw/zinc/22/28/11/1063222811.db2.gz VARSHGJNAFRGNY-UHFFFAOYSA-N 1 1 495.672 2.728 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCCN2CCCCC2=O)CC1 ZINC001295327449 1063222829 /nfs/dbraw/zinc/22/28/29/1063222829.db2.gz VARSHGJNAFRGNY-UHFFFAOYSA-N 1 1 495.672 2.728 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CCOc2ccccc2)CC1 ZINC001295327314 1063223238 /nfs/dbraw/zinc/22/32/38/1063223238.db2.gz RJVNPZYGVISODY-UHFFFAOYSA-N 1 1 477.613 2.800 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCOc2ccccc2)CC1 ZINC001295327314 1063223261 /nfs/dbraw/zinc/22/32/61/1063223261.db2.gz RJVNPZYGVISODY-UHFFFAOYSA-N 1 1 477.613 2.800 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001291144713 1063226649 /nfs/dbraw/zinc/22/66/49/1063226649.db2.gz TVHCKHIOSPBOTO-GGAORHGYSA-N 1 1 494.750 2.857 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001291144713 1063226669 /nfs/dbraw/zinc/22/66/69/1063226669.db2.gz TVHCKHIOSPBOTO-GGAORHGYSA-N 1 1 494.750 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCc2cn[nH]c2)CC1 ZINC001295328368 1063227075 /nfs/dbraw/zinc/22/70/75/1063227075.db2.gz FZDHCEBLJLLXDC-UHFFFAOYSA-N 1 1 485.036 2.945 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCc2cn[nH]c2)CC1 ZINC001295328368 1063227099 /nfs/dbraw/zinc/22/70/99/1063227099.db2.gz FZDHCEBLJLLXDC-UHFFFAOYSA-N 1 1 485.036 2.945 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(F)cn2)CC1 ZINC001295328947 1063228045 /nfs/dbraw/zinc/22/80/45/1063228045.db2.gz MLLNYHWMFJFXID-UHFFFAOYSA-N 1 1 495.603 2.917 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(F)cn2)CC1 ZINC001295328947 1063228059 /nfs/dbraw/zinc/22/80/59/1063228059.db2.gz MLLNYHWMFJFXID-UHFFFAOYSA-N 1 1 495.603 2.917 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291145964 1063229655 /nfs/dbraw/zinc/22/96/55/1063229655.db2.gz TVVSRUFYFPKTAX-OAQYLSRUSA-N 1 1 495.672 2.920 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CC1 ZINC001295330490 1063231261 /nfs/dbraw/zinc/23/12/61/1063231261.db2.gz YHBMBLDOBNEUFR-UHFFFAOYSA-N 1 1 480.661 2.961 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CC1 ZINC001295330490 1063231280 /nfs/dbraw/zinc/23/12/80/1063231280.db2.gz YHBMBLDOBNEUFR-UHFFFAOYSA-N 1 1 480.661 2.961 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295333797 1063232269 /nfs/dbraw/zinc/23/22/69/1063232269.db2.gz ALSZUTGRBFXBLO-ATIYNZHBSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295333797 1063232289 /nfs/dbraw/zinc/23/22/89/1063232289.db2.gz ALSZUTGRBFXBLO-ATIYNZHBSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295333800 1063233049 /nfs/dbraw/zinc/23/30/49/1063233049.db2.gz ALSZUTGRBFXBLO-NVQXNPDNSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295333800 1063233069 /nfs/dbraw/zinc/23/30/69/1063233069.db2.gz ALSZUTGRBFXBLO-NVQXNPDNSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295334051 1063235689 /nfs/dbraw/zinc/23/56/89/1063235689.db2.gz GSPXIRGFCZMNFS-ZJSXRUAMSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295334051 1063235707 /nfs/dbraw/zinc/23/57/07/1063235707.db2.gz GSPXIRGFCZMNFS-ZJSXRUAMSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC2)CC1 ZINC001295334262 1063236071 /nfs/dbraw/zinc/23/60/71/1063236071.db2.gz JCWBZVALJYSFAX-UHFFFAOYSA-N 1 1 491.731 2.910 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC2)CC1 ZINC001295334262 1063236094 /nfs/dbraw/zinc/23/60/94/1063236094.db2.gz JCWBZVALJYSFAX-UHFFFAOYSA-N 1 1 491.731 2.910 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cccnc3)n2CC2CC(F)(F)C2)CC1 ZINC001295334678 1063242258 /nfs/dbraw/zinc/24/22/58/1063242258.db2.gz SDQIJSUJZDJXIJ-UHFFFAOYSA-N 1 1 475.588 2.690 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2CC2CC(F)(F)C2)CC1 ZINC001295334678 1063242277 /nfs/dbraw/zinc/24/22/77/1063242277.db2.gz SDQIJSUJZDJXIJ-UHFFFAOYSA-N 1 1 475.588 2.690 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 ZINC001295334880 1063245159 /nfs/dbraw/zinc/24/51/59/1063245159.db2.gz VKDCNQJTWIUECG-SANMLTNESA-N 1 1 486.636 2.550 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 ZINC001295334880 1063245179 /nfs/dbraw/zinc/24/51/79/1063245179.db2.gz VKDCNQJTWIUECG-SANMLTNESA-N 1 1 486.636 2.550 20 0 JFADMO C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291162075 1063246588 /nfs/dbraw/zinc/24/65/88/1063246588.db2.gz KTWNHSLDKKIKGM-HKUYNNGSSA-N 1 1 462.545 2.612 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295335048 1063248413 /nfs/dbraw/zinc/24/84/13/1063248413.db2.gz XICFDKJAXKMVMM-PZJWPPBQSA-N 1 1 460.573 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295335048 1063248425 /nfs/dbraw/zinc/24/84/25/1063248425.db2.gz XICFDKJAXKMVMM-PZJWPPBQSA-N 1 1 460.573 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295335106 1063249328 /nfs/dbraw/zinc/24/93/28/1063249328.db2.gz YYNCLPOFZGFMAT-VQTJNVASSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295335106 1063249344 /nfs/dbraw/zinc/24/93/44/1063249344.db2.gz YYNCLPOFZGFMAT-VQTJNVASSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295335253 1063250199 /nfs/dbraw/zinc/25/01/99/1063250199.db2.gz QEMRIELYMVSRPG-LJQANCHMSA-N 1 1 475.663 2.632 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295335253 1063250226 /nfs/dbraw/zinc/25/02/26/1063250226.db2.gz QEMRIELYMVSRPG-LJQANCHMSA-N 1 1 475.663 2.632 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295345775 1063285151 /nfs/dbraw/zinc/28/51/51/1063285151.db2.gz LGXFEJSMAPSRGR-NRFANRHFSA-N 1 1 470.666 2.988 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295346336 1063287206 /nfs/dbraw/zinc/28/72/06/1063287206.db2.gz VKUAVUJQHPGUIX-WOJBJXKFSA-N 1 1 456.639 2.977 20 0 JFADMO C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299182 /nfs/dbraw/zinc/29/91/82/1063299182.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 1 1 489.709 2.599 20 0 JFADMO C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299202 /nfs/dbraw/zinc/29/92/02/1063299202.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 1 1 489.709 2.599 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188183 1063301498 /nfs/dbraw/zinc/30/14/98/1063301498.db2.gz GLZBABSNCWRBFI-IYBDPMFKSA-N 1 1 468.597 2.956 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001291188490 1063303897 /nfs/dbraw/zinc/30/38/97/1063303897.db2.gz LEWZQAXKPUMPLG-GBESFXJTSA-N 1 1 488.608 2.551 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCC(N4CCCNC4=O)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188883 1063306026 /nfs/dbraw/zinc/30/60/26/1063306026.db2.gz RZFVLEJKJFZIKL-KDURUIRLSA-N 1 1 475.682 2.848 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291190170 1063314123 /nfs/dbraw/zinc/31/41/23/1063314123.db2.gz PWMFELFVODBAHY-OAHLLOKOSA-N 1 1 464.973 2.515 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291197238 1063342096 /nfs/dbraw/zinc/34/20/96/1063342096.db2.gz ADSDTOMCYYXBRU-MOPGFXCFSA-N 1 1 496.616 2.537 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291197706 1063344174 /nfs/dbraw/zinc/34/41/74/1063344174.db2.gz IZEZICKEMBADTH-MOPGFXCFSA-N 1 1 455.607 2.909 20 0 JFADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383649 1063357002 /nfs/dbraw/zinc/35/70/02/1063357002.db2.gz DKPFCINQCXERAQ-HNNXBMFYSA-N 1 1 459.182 2.590 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001291201825 1063358079 /nfs/dbraw/zinc/35/80/79/1063358079.db2.gz BPNKRQXAGIRQDX-IBGZPJMESA-N 1 1 474.675 2.865 20 0 JFADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384266 1063359192 /nfs/dbraw/zinc/35/91/92/1063359192.db2.gz IQNNGHBOYSFFGP-HNNXBMFYSA-N 1 1 453.768 2.962 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295403215 1063388033 /nfs/dbraw/zinc/38/80/33/1063388033.db2.gz VUDGWXOMEBIVSB-LJQANCHMSA-N 1 1 460.629 2.720 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC001295404434 1063390582 /nfs/dbraw/zinc/39/05/82/1063390582.db2.gz CITNDCKFLWAFGC-KVPLUYHFSA-N 1 1 481.688 2.938 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295405722 1063394288 /nfs/dbraw/zinc/39/42/88/1063394288.db2.gz IAVGLXVKOKHYRN-RBUKOAKNSA-N 1 1 467.661 2.899 20 0 JFADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001291213340 1063404325 /nfs/dbraw/zinc/40/43/25/1063404325.db2.gz DEDLHYGPBZXJSP-QZTJIDSGSA-N 1 1 490.674 2.682 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237462 1063503115 /nfs/dbraw/zinc/50/31/15/1063503115.db2.gz XNWMFDIHLKHAAD-AEFFLSMTSA-N 1 1 466.556 2.928 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237736 1063503556 /nfs/dbraw/zinc/50/35/56/1063503556.db2.gz CJQITTLOAWRVEK-AOIWGVFYSA-N 1 1 456.595 2.569 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249343 1063525684 /nfs/dbraw/zinc/52/56/84/1063525684.db2.gz CXDRPMCFOIVWAV-HBMCJLEFSA-N 1 1 460.667 2.987 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250389 1063528807 /nfs/dbraw/zinc/52/88/07/1063528807.db2.gz SCIUXPIXQLCOPQ-PMACEKPBSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250389 1063528829 /nfs/dbraw/zinc/52/88/29/1063528829.db2.gz SCIUXPIXQLCOPQ-PMACEKPBSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251491 1063532351 /nfs/dbraw/zinc/53/23/51/1063532351.db2.gz IIDXSRQJOJDUJW-RBUKOAKNSA-N 1 1 482.695 2.960 20 0 JFADMO CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C[NH+](CC)CC)C[C@@H]1C ZINC001295502446 1063536424 /nfs/dbraw/zinc/53/64/24/1063536424.db2.gz GDZATTGRFRWDMJ-SIKLNZKXSA-N 1 1 453.635 2.650 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255532 1063544203 /nfs/dbraw/zinc/54/42/03/1063544203.db2.gz JKQODOOABUYMBR-NJYVYQBISA-N 1 1 492.665 2.932 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001295521007 1063558139 /nfs/dbraw/zinc/55/81/39/1063558139.db2.gz YZPKJRQXJDOGAF-YUXAGFNASA-N 1 1 457.596 2.673 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001295521007 1063558155 /nfs/dbraw/zinc/55/81/55/1063558155.db2.gz YZPKJRQXJDOGAF-YUXAGFNASA-N 1 1 457.596 2.673 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291264516 1063563408 /nfs/dbraw/zinc/56/34/08/1063563408.db2.gz DMLLSGKASKXAOC-LJQANCHMSA-N 1 1 474.675 2.788 20 0 JFADMO CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001295533624 1063570525 /nfs/dbraw/zinc/57/05/25/1063570525.db2.gz FRODHNOZDJOVAX-UHFFFAOYSA-N 1 1 452.607 2.856 20 0 JFADMO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001295535480 1063572518 /nfs/dbraw/zinc/57/25/18/1063572518.db2.gz WAQMFHJFPKOEEV-QFIPXVFZSA-N 1 1 453.635 2.592 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001295551185 1063584293 /nfs/dbraw/zinc/58/42/93/1063584293.db2.gz QKMCNMTWFMRZMN-HXUWFJFHSA-N 1 1 473.641 2.998 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001291276563 1063586497 /nfs/dbraw/zinc/58/64/97/1063586497.db2.gz OBWHYVDHLVZRFW-HXUWFJFHSA-N 1 1 454.619 2.926 20 0 JFADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276868 1063588408 /nfs/dbraw/zinc/58/84/08/1063588408.db2.gz TWQBXCMQHKOWDV-PKOBYXMFSA-N 1 1 480.535 2.689 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1CCOCC1 ZINC001295583369 1063627261 /nfs/dbraw/zinc/62/72/61/1063627261.db2.gz BXRUYMZJQWGHJS-UHFFFAOYSA-N 1 1 467.039 2.978 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291285960 1063629222 /nfs/dbraw/zinc/62/92/22/1063629222.db2.gz ADQZNCYBKKEQHS-MOPGFXCFSA-N 1 1 490.674 2.536 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291285960 1063629228 /nfs/dbraw/zinc/62/92/28/1063629228.db2.gz ADQZNCYBKKEQHS-MOPGFXCFSA-N 1 1 490.674 2.536 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295588487 1063633192 /nfs/dbraw/zinc/63/31/92/1063633192.db2.gz HLWWRINOJQAEAN-DOTOQJQBSA-N 1 1 467.039 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287399 1063638775 /nfs/dbraw/zinc/63/87/75/1063638775.db2.gz AVDNALGDHLERBM-OAQYLSRUSA-N 1 1 454.619 2.865 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001295599154 1063644106 /nfs/dbraw/zinc/64/41/06/1063644106.db2.gz VFASPBMJKSLUAJ-UHFFFAOYSA-N 1 1 458.582 2.677 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOCC1(C)C ZINC001295599154 1063644113 /nfs/dbraw/zinc/64/41/13/1063644113.db2.gz VFASPBMJKSLUAJ-UHFFFAOYSA-N 1 1 458.582 2.677 20 0 JFADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287999 1063644935 /nfs/dbraw/zinc/64/49/35/1063644935.db2.gz LIVYZSRGWYTGRO-RTBURBONSA-N 1 1 491.036 2.851 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291288159 1063647828 /nfs/dbraw/zinc/64/78/28/1063647828.db2.gz NZBWFLKUWKFELD-HDICACEKSA-N 1 1 484.066 2.969 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001291288419 1063649607 /nfs/dbraw/zinc/64/96/07/1063649607.db2.gz SDLKVIKCMGYTPV-NBGIEHNGSA-N 1 1 454.619 2.632 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291288956 1063653181 /nfs/dbraw/zinc/65/31/81/1063653181.db2.gz BGFYJOVJZGQZMX-BDTNDASRSA-N 1 1 483.661 2.828 20 0 JFADMO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001295606520 1063653407 /nfs/dbraw/zinc/65/34/07/1063653407.db2.gz BBZIUQZPDVFYII-PMACEKPBSA-N 1 1 491.658 2.708 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001291289351 1063655678 /nfs/dbraw/zinc/65/56/78/1063655678.db2.gz IJYOBQFKXUFYQN-QGZVFWFLSA-N 1 1 470.039 2.580 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291289548 1063657423 /nfs/dbraw/zinc/65/74/23/1063657423.db2.gz MDGXKMSTOUPWSY-KRWDZBQOSA-N 1 1 496.475 2.777 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 ZINC001291289873 1063659231 /nfs/dbraw/zinc/65/92/31/1063659231.db2.gz RHLDPJJMMXFBKN-FUHWJXTLSA-N 1 1 491.434 2.520 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291289779 1063659267 /nfs/dbraw/zinc/65/92/67/1063659267.db2.gz PTEMKRWYOASNAW-SCTDSRPQSA-N 1 1 461.010 2.800 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 ZINC001291289874 1063660521 /nfs/dbraw/zinc/66/05/21/1063660521.db2.gz RHLDPJJMMXFBKN-SJLPKXTDSA-N 1 1 491.434 2.520 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001291290042 1063661515 /nfs/dbraw/zinc/66/15/15/1063661515.db2.gz UILSSQCFRRXPAF-RZUBCFFCSA-N 1 1 483.661 2.971 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C[C@H](C)O1 ZINC001291290044 1063662226 /nfs/dbraw/zinc/66/22/26/1063662226.db2.gz UILSSQCFRRXPAF-VWPQPMDRSA-N 1 1 483.661 2.971 20 0 JFADMO C[C@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290164 1063663132 /nfs/dbraw/zinc/66/31/32/1063663132.db2.gz VRVCMHCPRSTGOB-OALUTQOASA-N 1 1 481.567 2.914 20 0 JFADMO C[C@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290163 1063663181 /nfs/dbraw/zinc/66/31/81/1063663181.db2.gz VRVCMHCPRSTGOB-MOPGFXCFSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC001291291336 1063670307 /nfs/dbraw/zinc/67/03/07/1063670307.db2.gz NHHJTODESFTRDF-FGZHOGPDSA-N 1 1 476.710 2.915 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291291485 1063671030 /nfs/dbraw/zinc/67/10/30/1063671030.db2.gz QAUNBLKYIAOWJS-KDURUIRLSA-N 1 1 459.639 2.962 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291756 1063671964 /nfs/dbraw/zinc/67/19/64/1063671964.db2.gz UFRRBFIYCAFKNQ-PWRODBHTSA-N 1 1 492.665 2.776 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC001291291886 1063672492 /nfs/dbraw/zinc/67/24/92/1063672492.db2.gz VUTAKAKEZLLNRG-KHYOSLBOSA-N 1 1 480.535 2.782 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(CC3CCCC3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291292247 1063675002 /nfs/dbraw/zinc/67/50/02/1063675002.db2.gz BDZOVPJHWXZJGY-LJQANCHMSA-N 1 1 454.610 2.899 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295630950 1063675995 /nfs/dbraw/zinc/67/59/95/1063675995.db2.gz NWPJREHYHRAVNZ-HSZRJFAPSA-N 1 1 472.590 2.502 20 0 JFADMO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291293110 1063681922 /nfs/dbraw/zinc/68/19/22/1063681922.db2.gz PEEIEYMNSZLZQG-UXHICEINSA-N 1 1 495.594 2.838 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CCCO1 ZINC001291293467 1063685414 /nfs/dbraw/zinc/68/54/14/1063685414.db2.gz VIKIMYZKVFCYRE-OAQYLSRUSA-N 1 1 497.688 2.793 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294020 1063686896 /nfs/dbraw/zinc/68/68/96/1063686896.db2.gz CYICPONJVSVACI-NVXWUHKLSA-N 1 1 482.398 2.919 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(N3CCN(C(=O)Cc4ccccc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294317 1063689665 /nfs/dbraw/zinc/68/96/65/1063689665.db2.gz HYCLYVTXIUNLRQ-QFIPXVFZSA-N 1 1 482.673 2.968 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294434 1063689724 /nfs/dbraw/zinc/68/97/24/1063689724.db2.gz JILMHBUNBSCLLL-UYAOXDASSA-N 1 1 489.665 2.544 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294718 1063691404 /nfs/dbraw/zinc/69/14/04/1063691404.db2.gz OICQNXKVIGSUCR-QFBILLFUSA-N 1 1 464.408 2.780 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295650892 1063693074 /nfs/dbraw/zinc/69/30/74/1063693074.db2.gz BTXVRMLFMKWVLJ-FQEVSTJZSA-N 1 1 468.606 2.549 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295170 1063693428 /nfs/dbraw/zinc/69/34/28/1063693428.db2.gz VRDYDUUCDFUSCR-QAPCUYQASA-N 1 1 482.448 2.815 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295651742 1063695286 /nfs/dbraw/zinc/69/52/86/1063695286.db2.gz LZTLJPMKOQAPOH-LJQANCHMSA-N 1 1 480.436 2.596 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(N(C)CCN3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295472 1063695900 /nfs/dbraw/zinc/69/59/00/1063695900.db2.gz ZKSJECBKLQOYBL-FQEVSTJZSA-N 1 1 450.672 2.624 20 0 JFADMO C[C@@H]1COCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291297793 1063701043 /nfs/dbraw/zinc/70/10/43/1063701043.db2.gz CWVPYVFNXRSRHU-IFMALSPDSA-N 1 1 456.635 2.731 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001295659544 1063701139 /nfs/dbraw/zinc/70/11/39/1063701139.db2.gz FDQVAWHGAVLDSF-WIYYLYMNSA-N 1 1 450.591 2.510 20 0 JFADMO C[C@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001291305269 1063715700 /nfs/dbraw/zinc/71/57/00/1063715700.db2.gz ZWTOMALXPSZLHL-AZUAARDMSA-N 1 1 478.638 2.686 20 0 JFADMO CCN(CC1CC1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001295680060 1063717418 /nfs/dbraw/zinc/71/74/18/1063717418.db2.gz WMYJAHBETXVPMN-FQEVSTJZSA-N 1 1 460.648 2.916 20 0 JFADMO C[C@@H]1COCCN1c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291305966 1063717416 /nfs/dbraw/zinc/71/74/16/1063717416.db2.gz OOTIDISRDYVJPC-QGZVFWFLSA-N 1 1 494.434 2.956 20 0 JFADMO C[C@H]1COCCN1c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291305965 1063717470 /nfs/dbraw/zinc/71/74/70/1063717470.db2.gz OOTIDISRDYVJPC-KRWDZBQOSA-N 1 1 494.434 2.956 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001291306652 1063719352 /nfs/dbraw/zinc/71/93/52/1063719352.db2.gz DLNNLSLKDGAMTE-JKSUJKDBSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001291306652 1063719368 /nfs/dbraw/zinc/71/93/68/1063719368.db2.gz DLNNLSLKDGAMTE-JKSUJKDBSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291306680 1063719801 /nfs/dbraw/zinc/71/98/01/1063719801.db2.gz DRKNGDSWEJVZFI-RTBURBONSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291306680 1063719814 /nfs/dbraw/zinc/71/98/14/1063719814.db2.gz DRKNGDSWEJVZFI-RTBURBONSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291306709 1063719841 /nfs/dbraw/zinc/71/98/41/1063719841.db2.gz FEVRYVSRLWHMGW-INIZCTEOSA-N 1 1 487.958 2.789 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291306709 1063719859 /nfs/dbraw/zinc/71/98/59/1063719859.db2.gz FEVRYVSRLWHMGW-INIZCTEOSA-N 1 1 487.958 2.789 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291306886 1063720792 /nfs/dbraw/zinc/72/07/92/1063720792.db2.gz JBTLUTLPNXLOGF-QUCCMNQESA-N 1 1 456.591 2.769 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291306886 1063720801 /nfs/dbraw/zinc/72/08/01/1063720801.db2.gz JBTLUTLPNXLOGF-QUCCMNQESA-N 1 1 456.591 2.769 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 ZINC001291307098 1063721899 /nfs/dbraw/zinc/72/18/99/1063721899.db2.gz MLLYTNQJOJLXEC-QGZVFWFLSA-N 1 1 474.407 2.761 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 ZINC001291307098 1063721910 /nfs/dbraw/zinc/72/19/10/1063721910.db2.gz MLLYTNQJOJLXEC-QGZVFWFLSA-N 1 1 474.407 2.761 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291307505 1063723695 /nfs/dbraw/zinc/72/36/95/1063723695.db2.gz VKCBKBBWVHQHHL-FQEVSTJZSA-N 1 1 454.619 2.749 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291307505 1063723711 /nfs/dbraw/zinc/72/37/11/1063723711.db2.gz VKCBKBBWVHQHHL-FQEVSTJZSA-N 1 1 454.619 2.749 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291307595 1063724225 /nfs/dbraw/zinc/72/42/25/1063724225.db2.gz XFHGHRQPFNKUKJ-HUUCEWRRSA-N 1 1 467.401 2.640 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC[C@H]1C ZINC001291307595 1063724240 /nfs/dbraw/zinc/72/42/40/1063724240.db2.gz XFHGHRQPFNKUKJ-HUUCEWRRSA-N 1 1 467.401 2.640 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001295713671 1063731981 /nfs/dbraw/zinc/73/19/81/1063731981.db2.gz GZZCQMWPTLQBBY-PKTZIBPZSA-N 1 1 484.645 2.713 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001291308976 1063732553 /nfs/dbraw/zinc/73/25/53/1063732553.db2.gz WKMZPEBGMWPGFR-OAHLLOKOSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001291308976 1063732565 /nfs/dbraw/zinc/73/25/65/1063732565.db2.gz WKMZPEBGMWPGFR-OAHLLOKOSA-N 1 1 463.380 2.996 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001295724957 1063740867 /nfs/dbraw/zinc/74/08/67/1063740867.db2.gz JFACHMWKGFOVCS-QFIPXVFZSA-N 1 1 455.651 2.927 20 0 JFADMO COC(=O)c1cc(-c2ccccc2CNC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)[nH]n1 ZINC001295727696 1063742494 /nfs/dbraw/zinc/74/24/94/1063742494.db2.gz VXUDNFVSYSKPJG-UHFFFAOYSA-N 1 1 453.568 2.602 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001295740141 1063748453 /nfs/dbraw/zinc/74/84/53/1063748453.db2.gz SPXSLSBUBSOLBZ-OAQYLSRUSA-N 1 1 456.639 2.798 20 0 JFADMO C[C@@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CCOC1(C)C ZINC001291315799 1063749100 /nfs/dbraw/zinc/74/91/00/1063749100.db2.gz GHYKOCRWAJVRDF-DLBZAZTESA-N 1 1 453.547 2.825 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295741437 1063749669 /nfs/dbraw/zinc/74/96/69/1063749669.db2.gz XVXVCCYLXRDOOT-RBBKRZOGSA-N 1 1 469.634 2.597 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC001295742736 1063750300 /nfs/dbraw/zinc/75/03/00/1063750300.db2.gz QHDCKCQOGXUBGX-GOSISDBHSA-N 1 1 459.587 2.618 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC001295742736 1063750310 /nfs/dbraw/zinc/75/03/10/1063750310.db2.gz QHDCKCQOGXUBGX-GOSISDBHSA-N 1 1 459.587 2.618 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295741836 1063750337 /nfs/dbraw/zinc/75/03/37/1063750337.db2.gz CWXNIWHXDSOLEE-PXCRPINLSA-N 1 1 451.608 2.898 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295741836 1063750345 /nfs/dbraw/zinc/75/03/45/1063750345.db2.gz CWXNIWHXDSOLEE-PXCRPINLSA-N 1 1 451.608 2.898 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291323125 1063768992 /nfs/dbraw/zinc/76/89/92/1063768992.db2.gz GPGISABSJJKBRK-NBGIEHNGSA-N 1 1 457.619 2.750 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295771358 1063780175 /nfs/dbraw/zinc/78/01/75/1063780175.db2.gz DFXAVCMOKBVADL-FCHUYYIVSA-N 1 1 454.619 2.655 20 0 JFADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295791251 1063789797 /nfs/dbraw/zinc/78/97/97/1063789797.db2.gz LEKLEPNUZLTZCP-HXUWFJFHSA-N 1 1 451.413 2.739 20 0 JFADMO C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)[C@@H]1C ZINC001291333674 1063789947 /nfs/dbraw/zinc/78/99/47/1063789947.db2.gz NSCWQFGUBHKDFN-IAGOWNOFSA-N 1 1 478.688 2.711 20 0 JFADMO C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)[C@@H]1C ZINC001291333674 1063789961 /nfs/dbraw/zinc/78/99/61/1063789961.db2.gz NSCWQFGUBHKDFN-IAGOWNOFSA-N 1 1 478.688 2.711 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291335383 1063796227 /nfs/dbraw/zinc/79/62/27/1063796227.db2.gz PHHFKXWULHBEGB-RBBKRZOGSA-N 1 1 481.645 2.984 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C1 ZINC001291336321 1063799398 /nfs/dbraw/zinc/79/93/98/1063799398.db2.gz GLAUAGXTPKOSKJ-IBGZPJMESA-N 1 1 493.450 2.781 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291336363 1063800010 /nfs/dbraw/zinc/80/00/10/1063800010.db2.gz HDHKFYOFROOGOL-XLIONFOSSA-N 1 1 461.010 2.814 20 0 JFADMO CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295814702 1063816408 /nfs/dbraw/zinc/81/64/08/1063816408.db2.gz PWRTVTVXKRXVMW-UHFFFAOYSA-N 1 1 494.681 2.990 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295815577 1063818726 /nfs/dbraw/zinc/81/87/26/1063818726.db2.gz JKOYWBGTQDBFMO-VWLOTQADSA-N 1 1 454.619 2.996 20 0 JFADMO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1)C(C)C ZINC001295815888 1063820812 /nfs/dbraw/zinc/82/08/12/1063820812.db2.gz NYTFJHNJMNSUKG-UHFFFAOYSA-N 1 1 473.691 2.671 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1)C(C)C ZINC001295815888 1063820825 /nfs/dbraw/zinc/82/08/25/1063820825.db2.gz NYTFJHNJMNSUKG-UHFFFAOYSA-N 1 1 473.691 2.671 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nccs1)CCC(F)(F)F ZINC001295816413 1063821859 /nfs/dbraw/zinc/82/18/59/1063821859.db2.gz WGOOLZPTKLWWEP-UHFFFAOYSA-N 1 1 459.542 2.881 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295819348 1063823446 /nfs/dbraw/zinc/82/34/46/1063823446.db2.gz KJPORMRRTKYLBV-HNNXBMFYSA-N 1 1 472.487 2.768 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1)C(C)C ZINC001295819005 1063823562 /nfs/dbraw/zinc/82/35/62/1063823562.db2.gz FMMJUZZUEJWUCI-KNQAVFIVSA-N 1 1 452.669 2.945 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001295820285 1063824658 /nfs/dbraw/zinc/82/46/58/1063824658.db2.gz ARMVPLJZJLFRPN-IBGZPJMESA-N 1 1 496.660 2.788 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295820585 1063825588 /nfs/dbraw/zinc/82/55/88/1063825588.db2.gz DXIICPMQJBXKHT-IEBWSBKVSA-N 1 1 498.632 2.759 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001295821408 1063827455 /nfs/dbraw/zinc/82/74/55/1063827455.db2.gz ODUIYUSFWOXFLD-UHFFFAOYSA-N 1 1 481.645 2.984 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(C)=O)CC1)C(C)C ZINC001295823442 1063829643 /nfs/dbraw/zinc/82/96/43/1063829643.db2.gz NXKLSUNMLRYKRH-UHFFFAOYSA-N 1 1 480.455 2.881 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C ZINC001295823060 1063829682 /nfs/dbraw/zinc/82/96/82/1063829682.db2.gz JJQLDHRLTZQTTG-HXUWFJFHSA-N 1 1 493.450 2.779 20 0 JFADMO CC[N@@H+](CCn1c(C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)CCC(F)(F)F ZINC001295822617 1063829714 /nfs/dbraw/zinc/82/97/14/1063829714.db2.gz CYOKJJCTSRAYPS-UHFFFAOYSA-N 1 1 452.525 2.884 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)C1CC1 ZINC001295824299 1063831752 /nfs/dbraw/zinc/83/17/52/1063831752.db2.gz CERLASFRCOQALC-UHFFFAOYSA-N 1 1 481.066 2.943 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1)C(C)C ZINC001295825175 1063833715 /nfs/dbraw/zinc/83/37/15/1063833715.db2.gz PIIGBXKLMUGDQP-UHFFFAOYSA-N 1 1 492.628 2.505 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001295826963 1063835338 /nfs/dbraw/zinc/83/53/38/1063835338.db2.gz HKZOOJXHLMKKNH-AWEZNQCLSA-N 1 1 488.477 2.877 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@H]1C ZINC001295827694 1063837897 /nfs/dbraw/zinc/83/78/97/1063837897.db2.gz DVUKSBVITBRUGW-QZTJIDSGSA-N 1 1 457.596 2.922 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C(C)C ZINC001295828360 1063838605 /nfs/dbraw/zinc/83/86/05/1063838605.db2.gz XOEYFEWTTYJHGU-IEBWSBKVSA-N 1 1 494.434 2.798 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829333 1063841047 /nfs/dbraw/zinc/84/10/47/1063841047.db2.gz HOZYGTCGCAAIAY-JKSUJKDBSA-N 1 1 485.942 2.983 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001291345899 1063841960 /nfs/dbraw/zinc/84/19/60/1063841960.db2.gz GMZTXSSKVCQZKN-NRFANRHFSA-N 1 1 484.645 2.505 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001291345899 1063841977 /nfs/dbraw/zinc/84/19/77/1063841977.db2.gz GMZTXSSKVCQZKN-NRFANRHFSA-N 1 1 484.645 2.505 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1)C1CC1 ZINC001295829982 1063843294 /nfs/dbraw/zinc/84/32/94/1063843294.db2.gz NLASVDFYSBSZOF-SFHVURJKSA-N 1 1 467.401 2.687 20 0 JFADMO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295830088 1063844084 /nfs/dbraw/zinc/84/40/84/1063844084.db2.gz LQFYMRCUYADWAC-SFHVURJKSA-N 1 1 492.024 2.771 20 0 JFADMO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295830088 1063844101 /nfs/dbraw/zinc/84/41/01/1063844101.db2.gz LQFYMRCUYADWAC-SFHVURJKSA-N 1 1 492.024 2.771 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)NC)CC1)C(C)C ZINC001295830519 1063844750 /nfs/dbraw/zinc/84/47/50/1063844750.db2.gz OLOKSZXJWSOATD-UHFFFAOYSA-N 1 1 470.618 2.799 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833701 1063848758 /nfs/dbraw/zinc/84/87/58/1063848758.db2.gz BYTFNOGBGLZADV-RCZVLFRGSA-N 1 1 481.689 2.973 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836222 1063852361 /nfs/dbraw/zinc/85/23/61/1063852361.db2.gz POVLLKWCXRNBGD-UTKZUKDTSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852400 /nfs/dbraw/zinc/85/24/00/1063852400.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 1 1 482.551 2.749 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836223 1063852694 /nfs/dbraw/zinc/85/26/94/1063852694.db2.gz POVLLKWCXRNBGD-UWJYYQICSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295837650 1063855585 /nfs/dbraw/zinc/85/55/85/1063855585.db2.gz ASWLIRMBSJEAHF-SFHVURJKSA-N 1 1 480.539 2.958 20 0 JFADMO CC[N@@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOCC1)C(C)C ZINC001295838576 1063856526 /nfs/dbraw/zinc/85/65/26/1063856526.db2.gz IKXVFVQESUVDML-UHFFFAOYSA-N 1 1 453.635 2.936 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838638 1063857222 /nfs/dbraw/zinc/85/72/22/1063857222.db2.gz KXAAZCVSXONHAN-OALUTQOASA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)C(C)C ZINC001295838911 1063857840 /nfs/dbraw/zinc/85/78/40/1063857840.db2.gz NGFHIQRSVCBNKG-LJQANCHMSA-N 1 1 458.655 2.786 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1)C(C)C ZINC001295841424 1063859692 /nfs/dbraw/zinc/85/96/92/1063859692.db2.gz FLRVPHAOTQDOLE-UHFFFAOYSA-N 1 1 457.652 2.809 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](COC)C1)C(C)C ZINC001295842300 1063862168 /nfs/dbraw/zinc/86/21/68/1063862168.db2.gz UYYRMHYKVAHPGP-QFIPXVFZSA-N 1 1 453.591 2.713 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cn2)CC1)CCC(F)(F)F ZINC001295842604 1063862929 /nfs/dbraw/zinc/86/29/29/1063862929.db2.gz YUZIMUWUAOBMCY-UHFFFAOYSA-N 1 1 495.529 2.814 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1)C1CC1 ZINC001295844316 1063863469 /nfs/dbraw/zinc/86/34/69/1063863469.db2.gz AVKHVZWMQKACAV-HNNXBMFYSA-N 1 1 451.369 2.705 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846559 1063868733 /nfs/dbraw/zinc/86/87/33/1063868733.db2.gz WKCRQZSCYPGRDI-IBGZPJMESA-N 1 1 499.626 2.953 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001295846517 1063868941 /nfs/dbraw/zinc/86/89/41/1063868941.db2.gz VYYKZXHXLSZPGB-WMZHIEFXSA-N 1 1 494.562 2.910 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001291360023 1063870225 /nfs/dbraw/zinc/87/02/25/1063870225.db2.gz OUULWCWBKDJYNL-HFXUHXBXSA-N 1 1 461.010 2.695 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001295850485 1063873504 /nfs/dbraw/zinc/87/35/04/1063873504.db2.gz WNLJYRSFVPTDJN-KBMIEXCESA-N 1 1 491.681 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1)C(C)C ZINC001295850484 1063873530 /nfs/dbraw/zinc/87/35/30/1063873530.db2.gz WNLJYRSFVPTDJN-DFBJGRDBSA-N 1 1 491.681 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1)CCC(F)(F)F ZINC001295852636 1063877257 /nfs/dbraw/zinc/87/72/57/1063877257.db2.gz KJNALWZXGMPNTF-GOSISDBHSA-N 1 1 485.555 2.675 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COc2ccccc2)C1)C(C)C ZINC001295852620 1063877312 /nfs/dbraw/zinc/87/73/12/1063877312.db2.gz KAZSSPOXNCXDTM-LEWJYISDSA-N 1 1 475.659 2.816 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)CCC(F)(F)F ZINC001295853163 1063879478 /nfs/dbraw/zinc/87/94/78/1063879478.db2.gz OOSUONOMYMQLGK-UEXGIBASSA-N 1 1 475.556 2.831 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1)CCC(F)(F)F ZINC001295853157 1063879541 /nfs/dbraw/zinc/87/95/41/1063879541.db2.gz OLFFCFGAKYGZFX-SFHVURJKSA-N 1 1 490.571 2.971 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)CCC(F)(F)F ZINC001295853412 1063880255 /nfs/dbraw/zinc/88/02/55/1063880255.db2.gz PWXVPFCUOJFYER-IAGOWNOFSA-N 1 1 487.527 2.716 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)C(C)C ZINC001295854478 1063882739 /nfs/dbraw/zinc/88/27/39/1063882739.db2.gz IPAQOHDWTIVDDW-GOTSBHOMSA-N 1 1 475.726 2.833 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1CC1 ZINC001295855026 1063884675 /nfs/dbraw/zinc/88/46/75/1063884675.db2.gz CERWSVCXLWEVGK-WWMYMODYSA-N 1 1 477.631 2.533 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001295856471 1063887068 /nfs/dbraw/zinc/88/70/68/1063887068.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 1 1 493.697 2.847 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001295856471 1063887083 /nfs/dbraw/zinc/88/70/83/1063887083.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 1 1 493.697 2.847 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001295857527 1063888504 /nfs/dbraw/zinc/88/85/04/1063888504.db2.gz SBWVTMRXFQAWFK-OWCLPIDISA-N 1 1 451.559 2.545 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C)CCC(F)(F)F ZINC001295858681 1063889739 /nfs/dbraw/zinc/88/97/39/1063889739.db2.gz BMNVVPBVYSJPNA-KRWDZBQOSA-N 1 1 467.540 2.595 20 0 JFADMO CCN(CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859839 1063891270 /nfs/dbraw/zinc/89/12/70/1063891270.db2.gz YPPOPXFKNXMHAS-OAQYLSRUSA-N 1 1 499.660 2.679 20 0 JFADMO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1=O ZINC001295860835 1063892613 /nfs/dbraw/zinc/89/26/13/1063892613.db2.gz MZUKLDRZYXMIHY-UHFFFAOYSA-N 1 1 487.596 2.967 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)CC1)C(C)C ZINC001295862826 1063894911 /nfs/dbraw/zinc/89/49/11/1063894911.db2.gz ROFJDHBJENSBCE-UHFFFAOYSA-N 1 1 453.591 2.969 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C ZINC001295865221 1063896568 /nfs/dbraw/zinc/89/65/68/1063896568.db2.gz GDTLUUXFZTUAKM-UHFFFAOYSA-N 1 1 494.644 2.791 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371024 1063896794 /nfs/dbraw/zinc/89/67/94/1063896794.db2.gz HJAIXCJIODVHPW-RCZVLFRGSA-N 1 1 473.618 2.890 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371337 1063897309 /nfs/dbraw/zinc/89/73/09/1063897309.db2.gz LKMGNDDRELRXGI-NBGIEHNGSA-N 1 1 473.618 2.543 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295865936 1063898983 /nfs/dbraw/zinc/89/89/83/1063898983.db2.gz QUDLEGBXYDNAEU-UHFFFAOYSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C1CC1 ZINC001295866492 1063901352 /nfs/dbraw/zinc/90/13/52/1063901352.db2.gz YAZOVUNQZDLILR-INIZCTEOSA-N 1 1 491.434 2.771 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295866590 1063901460 /nfs/dbraw/zinc/90/14/60/1063901460.db2.gz ZVIJTIKAONWNBK-UHFFFAOYSA-N 1 1 474.915 2.721 20 0 JFADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C)CCC(F)(F)F ZINC001295866811 1063901500 /nfs/dbraw/zinc/90/15/00/1063901500.db2.gz MQEGXXBWXKREGR-HNNXBMFYSA-N 1 1 474.553 2.769 20 0 JFADMO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867559 1063902696 /nfs/dbraw/zinc/90/26/96/1063902696.db2.gz VIISKUVMIPHRBQ-RTBURBONSA-N 1 1 477.654 2.576 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)C(C)C ZINC001295868977 1063906280 /nfs/dbraw/zinc/90/62/80/1063906280.db2.gz DXNWOQKXCRTPAB-ROUUACIJSA-N 1 1 465.643 2.781 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1)C1CC1 ZINC001295869119 1063906406 /nfs/dbraw/zinc/90/64/06/1063906406.db2.gz JJLWBJHYQXWRSY-NRFANRHFSA-N 1 1 491.681 2.603 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001295869296 1063906944 /nfs/dbraw/zinc/90/69/44/1063906944.db2.gz LZEPLYNZXZWYDJ-FQEVSTJZSA-N 1 1 475.638 2.503 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880418 1063924804 /nfs/dbraw/zinc/92/48/04/1063924804.db2.gz BOLHYNIOYXSXCU-VQTJNVASSA-N 1 1 455.669 2.759 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001295890418 1063941360 /nfs/dbraw/zinc/94/13/60/1063941360.db2.gz NNSKCPQYUZYGFH-SFTDATJTSA-N 1 1 497.644 2.848 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@@H+](C)C(C)C)CCN2C1=O ZINC001295890415 1063941380 /nfs/dbraw/zinc/94/13/80/1063941380.db2.gz NNSKCPQYUZYGFH-LEWJYISDSA-N 1 1 497.644 2.848 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc(COc4cc(C)cc(C)c4)n3CC[N@@H+](CC)C(C)C)CCN2C1=O ZINC001295892613 1063944753 /nfs/dbraw/zinc/94/47/53/1063944753.db2.gz GXXZIZSTPYTMNL-QFIPXVFZSA-N 1 1 497.644 2.677 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001291393564 1063946384 /nfs/dbraw/zinc/94/63/84/1063946384.db2.gz MFITUMCDSZWAFC-DFBJGRDBSA-N 1 1 465.602 2.863 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291394510 1063949295 /nfs/dbraw/zinc/94/92/95/1063949295.db2.gz YXVIKLPMMKRWBI-WXTAPIANSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291394510 1063949308 /nfs/dbraw/zinc/94/93/08/1063949308.db2.gz YXVIKLPMMKRWBI-WXTAPIANSA-N 1 1 497.644 2.938 20 0 JFADMO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC001295900868 1063954065 /nfs/dbraw/zinc/95/40/65/1063954065.db2.gz CTPLRBJESKQYBV-LJQANCHMSA-N 1 1 464.618 2.716 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291397456 1063954067 /nfs/dbraw/zinc/95/40/67/1063954067.db2.gz KPYGRCXARNBYRE-MCEYFSPLSA-N 1 1 478.726 2.895 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291399326 1063958431 /nfs/dbraw/zinc/95/84/31/1063958431.db2.gz JPOOMOFLBPZRIP-NLFFAJNJSA-N 1 1 466.634 2.507 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291402546 1063965955 /nfs/dbraw/zinc/96/59/55/1063965955.db2.gz ZKPAGVYWCUCWAE-MZBJOSPHSA-N 1 1 471.646 2.998 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291402548 1063966008 /nfs/dbraw/zinc/96/60/08/1063966008.db2.gz ZKPAGVYWCUCWAE-RMUDUWAUSA-N 1 1 471.646 2.998 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291403659 1063969938 /nfs/dbraw/zinc/96/99/38/1063969938.db2.gz NVQYGOGCJBQICW-LTMIRXACSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291403659 1063969948 /nfs/dbraw/zinc/96/99/48/1063969948.db2.gz NVQYGOGCJBQICW-LTMIRXACSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001291411025 1063986775 /nfs/dbraw/zinc/98/67/75/1063986775.db2.gz FMHDMBZLLCPSJM-VJBMBRPKSA-N 1 1 484.645 2.758 20 0 JFADMO CCn1cccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1=O ZINC001295938262 1063988629 /nfs/dbraw/zinc/98/86/29/1063988629.db2.gz HGONARKXIQFBJO-UXHICEINSA-N 1 1 498.603 2.944 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001291419306 1063998739 /nfs/dbraw/zinc/99/87/39/1063998739.db2.gz JKDHXQCHPMTTAC-QKNQBKEWSA-N 1 1 467.680 2.696 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3cccc(I)c3)CC2)CC1 ZINC001295950808 1064002230 /nfs/dbraw/zinc/00/22/30/1064002230.db2.gz CSEOGBSVPWIBGN-UHFFFAOYSA-N 1 1 455.384 2.851 20 0 JFADMO CCn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001295961272 1064011518 /nfs/dbraw/zinc/01/15/18/1064011518.db2.gz WUSCQAQRDFBDHD-MRXNPFEDSA-N 1 1 489.422 2.524 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC001295975518 1064020392 /nfs/dbraw/zinc/02/03/92/1064020392.db2.gz CSVKUGJLCADHSX-OALUTQOASA-N 1 1 476.585 2.873 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451370 1064020635 /nfs/dbraw/zinc/02/06/35/1064020635.db2.gz CITZBHDMCPHEOF-IRLDBZIGSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001295976049 1064021176 /nfs/dbraw/zinc/02/11/76/1064021176.db2.gz CBNBSDBYYTYIAW-VHSZZVNMSA-N 1 1 498.672 2.944 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295976071 1064021642 /nfs/dbraw/zinc/02/16/42/1064021642.db2.gz CFQPPBFATWELGK-GJZGRUSLSA-N 1 1 459.396 2.803 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291456182 1064022198 /nfs/dbraw/zinc/02/21/98/1064022198.db2.gz LGLJPFZMCSRSSJ-SFHVURJKSA-N 1 1 468.602 2.635 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001291456396 1064022534 /nfs/dbraw/zinc/02/25/34/1064022534.db2.gz PRXHNKNKZFDJGB-QFIPXVFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001291456396 1064022545 /nfs/dbraw/zinc/02/25/45/1064022545.db2.gz PRXHNKNKZFDJGB-QFIPXVFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295977313 1064023012 /nfs/dbraw/zinc/02/30/12/1064023012.db2.gz KDKZQANHOCOHOM-IRXDYDNUSA-N 1 1 480.548 2.622 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001295977245 1064023032 /nfs/dbraw/zinc/02/30/32/1064023032.db2.gz NXVULBPQXDITLG-DLBZAZTESA-N 1 1 485.658 2.666 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024294 /nfs/dbraw/zinc/02/42/94/1064024294.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 1 1 456.635 2.983 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001295977874 1064024889 /nfs/dbraw/zinc/02/48/89/1064024889.db2.gz QHKGHFWRVGQICH-HUUCEWRRSA-N 1 1 466.428 2.823 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001295978700 1064026069 /nfs/dbraw/zinc/02/60/69/1064026069.db2.gz SOTOZSSCSKPMMB-IRXDYDNUSA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001295979133 1064027615 /nfs/dbraw/zinc/02/76/15/1064027615.db2.gz UWTSWQJDAISSLK-SJORKVTESA-N 1 1 470.039 2.579 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001295980064 1064028678 /nfs/dbraw/zinc/02/86/78/1064028678.db2.gz NWPXVNVOAOHETO-UONOGXRCSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001295980064 1064028683 /nfs/dbraw/zinc/02/86/83/1064028683.db2.gz NWPXVNVOAOHETO-UONOGXRCSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001295980064 1064028689 /nfs/dbraw/zinc/02/86/89/1064028689.db2.gz NWPXVNVOAOHETO-UONOGXRCSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029499 /nfs/dbraw/zinc/02/94/99/1064029499.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 1 1 497.688 2.604 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)C[C@@H]1C ZINC001295980344 1064030041 /nfs/dbraw/zinc/03/00/41/1064030041.db2.gz YQBJKLSKZCOZCN-AXHZCLLHSA-N 1 1 490.674 2.683 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1nc(C)cc1C ZINC001291469760 1064030199 /nfs/dbraw/zinc/03/01/99/1064030199.db2.gz GYALCHJSGGSUFV-YCRNBWNJSA-N 1 1 470.666 2.684 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001291470361 1064031060 /nfs/dbraw/zinc/03/10/60/1064031060.db2.gz PAIPPGVICKRYTR-JENIJYKNSA-N 1 1 488.706 2.978 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(COC)CCC1 ZINC001291470380 1064031433 /nfs/dbraw/zinc/03/14/33/1064031433.db2.gz PGBPJOQPYUPHOM-ONTIZHBOSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001295980886 1064031621 /nfs/dbraw/zinc/03/16/21/1064031621.db2.gz PYSKXPWXWOBAQX-CEXWTWQISA-N 1 1 492.690 2.794 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001291470830 1064031910 /nfs/dbraw/zinc/03/19/10/1064031910.db2.gz WGBVPOPYNUCTLN-QNWVGRARSA-N 1 1 487.693 2.573 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470774 1064031976 /nfs/dbraw/zinc/03/19/76/1064031976.db2.gz VDTDPMWOSWCFPN-YYDVJCTNSA-N 1 1 499.635 2.948 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001295981286 1064032106 /nfs/dbraw/zinc/03/21/06/1064032106.db2.gz RATJUFVLRIMZHR-VDNWNZSNSA-N 1 1 451.637 2.890 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001295981285 1064032232 /nfs/dbraw/zinc/03/22/32/1064032232.db2.gz RATJUFVLRIMZHR-ORGXJRBJSA-N 1 1 451.637 2.890 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001291471052 1064032942 /nfs/dbraw/zinc/03/29/42/1064032942.db2.gz YLUXQXGLBMCJIV-PUHWWWJWSA-N 1 1 459.660 2.875 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(C)CCOCC1 ZINC001291471092 1064033376 /nfs/dbraw/zinc/03/33/76/1064033376.db2.gz YWPJVZTVBLRQJC-ONTIZHBOSA-N 1 1 460.667 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291473564 1064034282 /nfs/dbraw/zinc/03/42/82/1064034282.db2.gz GFTMZCSMNBOJGA-WRALFONMSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291473561 1064034336 /nfs/dbraw/zinc/03/43/36/1064034336.db2.gz GFTMZCSMNBOJGA-FBLLAGFSSA-N 1 1 462.683 2.984 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001295982286 1064034788 /nfs/dbraw/zinc/03/47/88/1064034788.db2.gz DCELPSBGNOMLJV-ZWKOTPCHSA-N 1 1 468.606 2.643 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291482676 1064038556 /nfs/dbraw/zinc/03/85/56/1064038556.db2.gz UHWIDTAOJWSADX-IRLDBZIGSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@@H]1C ZINC001295983909 1064040155 /nfs/dbraw/zinc/04/01/55/1064040155.db2.gz XQJKZKGGHNPXLG-JKSUJKDBSA-N 1 1 476.427 2.647 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295984431 1064041814 /nfs/dbraw/zinc/04/18/14/1064041814.db2.gz MRONBGSVJFPIOP-HZPDHXFCSA-N 1 1 457.529 2.794 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001295987347 1064043909 /nfs/dbraw/zinc/04/39/09/1064043909.db2.gz ZYUVDZOQFFYXQK-CFXYEOBUSA-N 1 1 461.632 2.792 20 0 JFADMO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295990982 1064045458 /nfs/dbraw/zinc/04/54/58/1064045458.db2.gz ONYNPHDASSBFLQ-BJKOFHAPSA-N 1 1 456.631 2.988 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291493880 1064046609 /nfs/dbraw/zinc/04/66/09/1064046609.db2.gz QPKXDUJAOZVUCV-REYXVDKWSA-N 1 1 459.639 2.727 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC001295992680 1064047313 /nfs/dbraw/zinc/04/73/13/1064047313.db2.gz FCLZWIRBNWNIKD-ROUUACIJSA-N 1 1 466.565 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC001295993033 1064047962 /nfs/dbraw/zinc/04/79/62/1064047962.db2.gz BUEINEOCDPOXNW-MUGJNUQGSA-N 1 1 478.638 2.542 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001295993488 1064048957 /nfs/dbraw/zinc/04/89/57/1064048957.db2.gz HVJCVUMMHRLLTK-VQTJNVASSA-N 1 1 464.618 2.822 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@H]1C ZINC001295993560 1064049305 /nfs/dbraw/zinc/04/93/05/1064049305.db2.gz DBLDQAIIUXXABW-QHAWAJNXSA-N 1 1 465.639 2.651 20 0 JFADMO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295994668 1064050608 /nfs/dbraw/zinc/05/06/08/1064050608.db2.gz VURZKUFIVWVXCQ-VQTJNVASSA-N 1 1 462.664 2.844 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996817 1064052756 /nfs/dbraw/zinc/05/27/56/1064052756.db2.gz NSOGWSCBTBSAHP-MSOLQXFVSA-N 1 1 481.601 2.923 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@H]1C ZINC001295996941 1064053074 /nfs/dbraw/zinc/05/30/74/1064053074.db2.gz NSYVTKFXVRWOEK-MSOLQXFVSA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@@H]1C ZINC001295997409 1064053223 /nfs/dbraw/zinc/05/32/23/1064053223.db2.gz QQLOJENOMGGUBS-MPGHIAIKSA-N 1 1 465.524 2.805 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@@H]1C ZINC001295997507 1064053590 /nfs/dbraw/zinc/05/35/90/1064053590.db2.gz RGECSJGLUIRZSO-SLFFLAALSA-N 1 1 480.654 2.932 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295997518 1064053608 /nfs/dbraw/zinc/05/36/08/1064053608.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 1 1 494.750 2.857 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001291503613 1064054847 /nfs/dbraw/zinc/05/48/47/1064054847.db2.gz BKWABTYKYUMINI-IBGZPJMESA-N 1 1 474.675 2.616 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998992 1064056196 /nfs/dbraw/zinc/05/61/96/1064056196.db2.gz YHSDKEMYQPLPBA-ZWKOTPCHSA-N 1 1 478.592 2.653 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001291507710 1064058651 /nfs/dbraw/zinc/05/86/51/1064058651.db2.gz YVVPQTIMWWPZLN-ZWKOTPCHSA-N 1 1 452.669 2.526 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001291507709 1064058676 /nfs/dbraw/zinc/05/86/76/1064058676.db2.gz YVVPQTIMWWPZLN-ROUUACIJSA-N 1 1 452.669 2.526 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291508429 1064059999 /nfs/dbraw/zinc/05/99/99/1064059999.db2.gz MCNBHQLMOUNRRH-LEWJYISDSA-N 1 1 459.683 2.656 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008836 1064062982 /nfs/dbraw/zinc/06/29/82/1064062982.db2.gz BSYOJRUAPQOBTI-ROUUACIJSA-N 1 1 495.653 2.530 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009391 1064064328 /nfs/dbraw/zinc/06/43/28/1064064328.db2.gz FURBZMCVJSUZTI-SFTDATJTSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009327 1064064355 /nfs/dbraw/zinc/06/43/55/1064064355.db2.gz JUGIKQZGTRTXSE-UFYCRDLUSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296009408 1064064502 /nfs/dbraw/zinc/06/45/02/1064064502.db2.gz GADOHKFVPISREY-AIFLQVKLSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009389 1064064523 /nfs/dbraw/zinc/06/45/23/1064064523.db2.gz FURBZMCVJSUZTI-NHCUHLMSSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009479 1064064859 /nfs/dbraw/zinc/06/48/59/1064064859.db2.gz GSINKCPVGOMQQV-SFTDATJTSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009626 1064065828 /nfs/dbraw/zinc/06/58/28/1064065828.db2.gz HTZORYGPYDWSKW-RTWAWAEBSA-N 1 1 484.645 2.675 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291514399 1064067252 /nfs/dbraw/zinc/06/72/52/1064067252.db2.gz RUKCRCROVUNECF-GOSISDBHSA-N 1 1 454.685 2.964 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009922 1064067430 /nfs/dbraw/zinc/06/74/30/1064067430.db2.gz NVBDUFSHGDYFGY-CNNODRBYSA-N 1 1 475.707 2.910 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001291517697 1064070379 /nfs/dbraw/zinc/07/03/79/1064070379.db2.gz ZPGOQZLEKWGZBW-GOSISDBHSA-N 1 1 453.591 2.595 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)C[C@@H]1C ZINC001296011682 1064071586 /nfs/dbraw/zinc/07/15/86/1064071586.db2.gz QEZKSDQBFJJOFF-FDFHNCONSA-N 1 1 459.639 2.502 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013134 1064073997 /nfs/dbraw/zinc/07/39/97/1064073997.db2.gz MHILNJZRMGEOBP-LLDSLBOVSA-N 1 1 475.609 2.968 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014584 1064076361 /nfs/dbraw/zinc/07/63/61/1064076361.db2.gz YOBMUJTUVUBBCB-RTBURBONSA-N 1 1 471.581 2.806 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@@H]1C ZINC001296016846 1064078054 /nfs/dbraw/zinc/07/80/54/1064078054.db2.gz VPTYATMEIUUTOH-VPAKFMSCSA-N 1 1 468.618 2.952 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017262 1064078771 /nfs/dbraw/zinc/07/87/71/1064078771.db2.gz XDNDXMMQPORKAC-OALUTQOASA-N 1 1 491.658 2.609 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031095 1064089043 /nfs/dbraw/zinc/08/90/43/1064089043.db2.gz PUEMMBIBGSCABA-UNMCSNQZSA-N 1 1 453.635 2.863 20 0 JFADMO CC[NH+]1CCC(CCn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031312 1064089438 /nfs/dbraw/zinc/08/94/38/1064089438.db2.gz UIPWOFLFSMUTAW-XMMPIXPASA-N 1 1 489.753 2.929 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)C1 ZINC001296033001 1064090577 /nfs/dbraw/zinc/09/05/77/1064090577.db2.gz HNLSVIMPXVHXHW-NRFANRHFSA-N 1 1 481.645 2.794 20 0 JFADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296033124 1064091378 /nfs/dbraw/zinc/09/13/78/1064091378.db2.gz JYNHMBVDIFVUHT-RTBURBONSA-N 1 1 458.582 2.958 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001296033720 1064092423 /nfs/dbraw/zinc/09/24/23/1064092423.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 1 1 474.053 2.734 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001296033720 1064092431 /nfs/dbraw/zinc/09/24/31/1064092431.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 1 1 474.053 2.734 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC)cc1OC ZINC001291566082 1064094047 /nfs/dbraw/zinc/09/40/47/1064094047.db2.gz BMASXCKBSPYOID-FQEVSTJZSA-N 1 1 484.645 2.992 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC)cc1OC ZINC001291566082 1064094055 /nfs/dbraw/zinc/09/40/55/1064094055.db2.gz BMASXCKBSPYOID-FQEVSTJZSA-N 1 1 484.645 2.992 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001291566559 1064094466 /nfs/dbraw/zinc/09/44/66/1064094466.db2.gz DRJQUNPIUDNVPS-IBGZPJMESA-N 1 1 454.685 2.918 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001296035437 1064094619 /nfs/dbraw/zinc/09/46/19/1064094619.db2.gz CZOPBITZWSIDQT-QMHKHESXSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001296036017 1064095422 /nfs/dbraw/zinc/09/54/22/1064095422.db2.gz GSMKBXQJZCTPKA-PZJWPPBQSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291570073 1064097022 /nfs/dbraw/zinc/09/70/22/1064097022.db2.gz ULWACYYDCIDKJY-PMACEKPBSA-N 1 1 459.614 2.889 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001296037872 1064097877 /nfs/dbraw/zinc/09/78/77/1064097877.db2.gz MOCUGTUYTSSRCR-SFHVURJKSA-N 1 1 477.451 2.818 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001296037870 1064098013 /nfs/dbraw/zinc/09/80/13/1064098013.db2.gz MOCUGTUYTSSRCR-GOSISDBHSA-N 1 1 477.451 2.818 20 0 JFADMO C[C@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001291576862 1064100248 /nfs/dbraw/zinc/10/02/48/1064100248.db2.gz NCGRQSYXBJSASP-QGZVFWFLSA-N 1 1 454.612 2.833 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001296040722 1064100256 /nfs/dbraw/zinc/10/02/56/1064100256.db2.gz WQZWYXWKPMAAKQ-IBGZPJMESA-N 1 1 470.618 2.786 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001296040377 1064100301 /nfs/dbraw/zinc/10/03/01/1064100301.db2.gz VQNVLCCSZUOLLQ-SFHVURJKSA-N 1 1 456.616 2.706 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042399 1064101802 /nfs/dbraw/zinc/10/18/02/1064101802.db2.gz JQINHQPMMNTVBJ-FOIQADDNSA-N 1 1 455.529 2.550 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)C1 ZINC001296041546 1064101828 /nfs/dbraw/zinc/10/18/28/1064101828.db2.gz DKNFNDXBTHNRBD-MISYRCLQSA-N 1 1 490.649 2.638 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)C1 ZINC001296041545 1064101889 /nfs/dbraw/zinc/10/18/89/1064101889.db2.gz DKNFNDXBTHNRBD-DFQSSKMNSA-N 1 1 490.649 2.638 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042402 1064102368 /nfs/dbraw/zinc/10/23/68/1064102368.db2.gz JQINHQPMMNTVBJ-YWZLYKJASA-N 1 1 455.529 2.550 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578190 1064103181 /nfs/dbraw/zinc/10/31/81/1064103181.db2.gz CHSWLAKSHHGKLQ-UWJYYQICSA-N 1 1 458.582 2.730 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001296043930 1064103713 /nfs/dbraw/zinc/10/37/13/1064103713.db2.gz BBIHAXWXJQXCHM-NCYKPQTJSA-N 1 1 476.666 2.942 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296044263 1064103749 /nfs/dbraw/zinc/10/37/49/1064103749.db2.gz BQILQLFQXCNKDP-ROUUACIJSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCSC[C@H]2C)C1 ZINC001296044768 1064104568 /nfs/dbraw/zinc/10/45/68/1064104568.db2.gz GIZHJQIKPVSOCE-CEXWTWQISA-N 1 1 480.679 2.870 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001296044951 1064105211 /nfs/dbraw/zinc/10/52/11/1064105211.db2.gz HCSMKPSNLWBIQZ-GOSISDBHSA-N 1 1 466.051 2.878 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001296046812 1064106594 /nfs/dbraw/zinc/10/65/94/1064106594.db2.gz PKHQUMINULLKDR-HOTGVXAUSA-N 1 1 484.464 2.947 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579682 1064106602 /nfs/dbraw/zinc/10/66/02/1064106602.db2.gz KHYRKLLMHVTAEZ-PGRDOPGGSA-N 1 1 467.618 2.541 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579681 1064106631 /nfs/dbraw/zinc/10/66/31/1064106631.db2.gz KHYRKLLMHVTAEZ-GCJKJVERSA-N 1 1 467.618 2.541 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001296048717 1064108765 /nfs/dbraw/zinc/10/87/65/1064108765.db2.gz DEXSDYMXDVFJAS-LEWJYISDSA-N 1 1 455.603 2.803 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296050785 1064110933 /nfs/dbraw/zinc/11/09/33/1064110933.db2.gz VDVVWOOBUYXWAR-SJLPKXTDSA-N 1 1 482.526 2.855 20 0 JFADMO CCN(C1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1)S(C)(=O)=O ZINC001296050998 1064111337 /nfs/dbraw/zinc/11/13/37/1064111337.db2.gz WRGIXPJHMYOGSF-QFIPXVFZSA-N 1 1 488.702 2.655 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001296051694 1064112109 /nfs/dbraw/zinc/11/21/09/1064112109.db2.gz JDBPZLVYTGHAAY-IAGOWNOFSA-N 1 1 499.607 2.684 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051836 1064112506 /nfs/dbraw/zinc/11/25/06/1064112506.db2.gz KKJSWRTXDFJYPM-WIYYLYMNSA-N 1 1 479.622 2.742 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001296051725 1064112526 /nfs/dbraw/zinc/11/25/26/1064112526.db2.gz JSCRMAXXZZVHTM-QUCCMNQESA-N 1 1 493.077 2.907 20 0 JFADMO CCN1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296052169 1064113451 /nfs/dbraw/zinc/11/34/51/1064113451.db2.gz OJJITHXBGUWHPF-LJQANCHMSA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001296052326 1064113459 /nfs/dbraw/zinc/11/34/59/1064113459.db2.gz QIMIHLMJJBGIMH-YADHBBJMSA-N 1 1 484.693 2.859 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001296052323 1064113513 /nfs/dbraw/zinc/11/35/13/1064113513.db2.gz QIMIHLMJJBGIMH-FCHUYYIVSA-N 1 1 484.693 2.859 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296053162 1064114441 /nfs/dbraw/zinc/11/44/41/1064114441.db2.gz WRZZOZFTSZZHMV-HXUWFJFHSA-N 1 1 499.660 2.838 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001296054848 1064116351 /nfs/dbraw/zinc/11/63/51/1064116351.db2.gz DKHOEXZOWUIHJC-QUCCMNQESA-N 1 1 459.664 2.845 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001296054852 1064116416 /nfs/dbraw/zinc/11/64/16/1064116416.db2.gz DKHOEXZOWUIHJC-UYAOXDASSA-N 1 1 459.664 2.845 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001296054847 1064116444 /nfs/dbraw/zinc/11/64/44/1064116444.db2.gz DKHOEXZOWUIHJC-ICSRJNTNSA-N 1 1 459.664 2.845 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296055226 1064116644 /nfs/dbraw/zinc/11/66/44/1064116644.db2.gz FKMPYMNSBXTIEG-UMEGOILYSA-N 1 1 492.665 2.764 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291583726 1064117141 /nfs/dbraw/zinc/11/71/41/1064117141.db2.gz WQOKAZJCIAPHLJ-OAQYLSRUSA-N 1 1 468.646 2.794 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291584059 1064118052 /nfs/dbraw/zinc/11/80/52/1064118052.db2.gz ZHWCPTTXQNDYFV-GMAHTHKFSA-N 1 1 468.646 2.530 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296057114 1064118524 /nfs/dbraw/zinc/11/85/24/1064118524.db2.gz RIXVSOBVJMQCDM-TUFLPTIASA-N 1 1 492.665 2.790 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296057101 1064118533 /nfs/dbraw/zinc/11/85/33/1064118533.db2.gz RBKLNVYZUHUOMQ-OALUTQOASA-N 1 1 491.637 2.580 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N(C)CCS(=O)(=O)CC)nnc2C2(c3ccccc3)CCC2)C1 ZINC001296057264 1064119055 /nfs/dbraw/zinc/11/90/55/1064119055.db2.gz URAXCDOQGXKLTJ-FQEVSTJZSA-N 1 1 459.660 2.961 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001296057204 1064119105 /nfs/dbraw/zinc/11/91/05/1064119105.db2.gz UAJQODGGXZBFTD-NRFANRHFSA-N 1 1 482.633 2.691 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001296058730 1064120708 /nfs/dbraw/zinc/12/07/08/1064120708.db2.gz CUXKQMSTKARXME-ZBFHGGJFSA-N 1 1 487.468 2.779 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001296059151 1064121524 /nfs/dbraw/zinc/12/15/24/1064121524.db2.gz BAKMMQUGBXWLPH-DLBZAZTESA-N 1 1 461.408 2.812 20 0 JFADMO CCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059433 1064122262 /nfs/dbraw/zinc/12/22/62/1064122262.db2.gz FQDMCGHGRPKBCJ-NRFANRHFSA-N 1 1 474.675 2.800 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001296059684 1064123063 /nfs/dbraw/zinc/12/30/63/1064123063.db2.gz INIGGLABZXVYIK-IEBWSBKVSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001296059738 1064123076 /nfs/dbraw/zinc/12/30/76/1064123076.db2.gz JFPRNFKTGSLGOZ-KRWDZBQOSA-N 1 1 485.029 2.694 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1nccs1 ZINC001296059797 1064123086 /nfs/dbraw/zinc/12/30/86/1064123086.db2.gz JRTVGEFLSCRGEU-GOSISDBHSA-N 1 1 474.656 2.968 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1 ZINC001296059631 1064123099 /nfs/dbraw/zinc/12/30/99/1064123099.db2.gz HKMHRSQRIUCGKN-NRFANRHFSA-N 1 1 475.659 2.822 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001296060411 1064125264 /nfs/dbraw/zinc/12/52/64/1064125264.db2.gz ARZQRFGFDBUJKL-GOSISDBHSA-N 1 1 458.632 2.792 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC001296060445 1064125276 /nfs/dbraw/zinc/12/52/76/1064125276.db2.gz BEDJWJGDRAKITP-MOPGFXCFSA-N 1 1 479.622 2.599 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291590982 1064125459 /nfs/dbraw/zinc/12/54/59/1064125459.db2.gz WFHAINFOIXAMKS-VXKWHMMOSA-N 1 1 475.682 2.734 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296060881 1064126174 /nfs/dbraw/zinc/12/61/74/1064126174.db2.gz OAYBZPLTIDBVDP-HSALFYBXSA-N 1 1 464.655 2.618 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296061085 1064126209 /nfs/dbraw/zinc/12/62/09/1064126209.db2.gz JBAHWGVZXLNDDD-MOPGFXCFSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296060884 1064126219 /nfs/dbraw/zinc/12/62/19/1064126219.db2.gz OAYBZPLTIDBVDP-SLFFLAALSA-N 1 1 464.655 2.618 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296061771 1064127272 /nfs/dbraw/zinc/12/72/72/1064127272.db2.gz XQNMRASVCAEZIL-SJLPKXTDSA-N 1 1 461.408 2.894 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291592313 1064127328 /nfs/dbraw/zinc/12/73/28/1064127328.db2.gz LMSWDYIPZHQJOT-SFTDATJTSA-N 1 1 491.681 2.649 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291593146 1064127838 /nfs/dbraw/zinc/12/78/38/1064127838.db2.gz ATQZPZKLEQUDOE-VQTJNVASSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296062449 1064128272 /nfs/dbraw/zinc/12/82/72/1064128272.db2.gz PHARRSRSUSHLKG-HKUYNNGSSA-N 1 1 458.611 2.609 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 ZINC001296062837 1064128737 /nfs/dbraw/zinc/12/87/37/1064128737.db2.gz QEBNONBWGDXGPZ-KRWDZBQOSA-N 1 1 455.563 2.957 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(F)F)CC1 ZINC001296063047 1064129295 /nfs/dbraw/zinc/12/92/95/1064129295.db2.gz RXBWZFVXQMNNRT-QGZVFWFLSA-N 1 1 464.561 2.834 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291593443 1064129322 /nfs/dbraw/zinc/12/93/22/1064129322.db2.gz QLNMCRKLRYDOEM-WPFOTENUSA-N 1 1 497.688 2.641 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001296063639 1064130024 /nfs/dbraw/zinc/13/00/24/1064130024.db2.gz XDQODKNUDGQRCX-TZIWHRDSSA-N 1 1 489.690 2.609 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001296063637 1064130036 /nfs/dbraw/zinc/13/00/36/1064130036.db2.gz XDQODKNUDGQRCX-PZJWPPBQSA-N 1 1 489.690 2.609 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001291594036 1064130038 /nfs/dbraw/zinc/13/00/38/1064130038.db2.gz VTLMVBUGEUCPRB-JQVVWYNYSA-N 1 1 453.635 2.623 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296063804 1064130391 /nfs/dbraw/zinc/13/03/91/1064130391.db2.gz ZJNAGVYCTDLTHP-MJGOQNOKSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001296068467 1064134421 /nfs/dbraw/zinc/13/44/21/1064134421.db2.gz PFZGWUWTTFSUME-PMACEKPBSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1 ZINC001296069606 1064135195 /nfs/dbraw/zinc/13/51/95/1064135195.db2.gz XXOWXIFKGJRJHQ-GJZGRUSLSA-N 1 1 486.436 2.656 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296071628 1064136066 /nfs/dbraw/zinc/13/60/66/1064136066.db2.gz JOSJXKVAHVAZOS-LJQANCHMSA-N 1 1 451.541 2.823 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001296072385 1064136596 /nfs/dbraw/zinc/13/65/96/1064136596.db2.gz NAENECNEGYUFEE-PZJWPPBQSA-N 1 1 492.665 2.600 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001296072371 1064136672 /nfs/dbraw/zinc/13/66/72/1064136672.db2.gz MVGGXKLKIPFALL-VXKWHMMOSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291601434 1064136978 /nfs/dbraw/zinc/13/69/78/1064136978.db2.gz FJOYIRBENCRPRG-IFMALSPDSA-N 1 1 456.635 2.974 20 0 JFADMO CCn1cc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CC)cn1 ZINC001296072947 1064137954 /nfs/dbraw/zinc/13/79/54/1064137954.db2.gz GTUXTOMYTCDQGS-GOSISDBHSA-N 1 1 456.620 2.607 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001296073428 1064138553 /nfs/dbraw/zinc/13/85/53/1064138553.db2.gz IXXZNIUDIOMHCF-QHCPKHFHSA-N 1 1 488.702 2.798 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001296073598 1064138912 /nfs/dbraw/zinc/13/89/12/1064138912.db2.gz SWCLSHZFYATQOW-QFIPXVFZSA-N 1 1 468.646 2.861 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001296074714 1064141450 /nfs/dbraw/zinc/14/14/50/1064141450.db2.gz MFMCMGDXFCDAOZ-OTWHNJEPSA-N 1 1 498.694 2.704 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](COC)C1 ZINC001296075886 1064143938 /nfs/dbraw/zinc/14/39/38/1064143938.db2.gz XZLZPOVVOCERSN-UYAOXDASSA-N 1 1 494.434 2.956 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079370 1064146630 /nfs/dbraw/zinc/14/66/30/1064146630.db2.gz FRHFWFVCEKUBLJ-VQTJNVASSA-N 1 1 480.654 2.934 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079639 1064147362 /nfs/dbraw/zinc/14/73/62/1064147362.db2.gz HJTOLBUZAVBLSB-IFMALSPDSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081202 1064148711 /nfs/dbraw/zinc/14/87/11/1064148711.db2.gz QPGYUQQKEKSWGP-QUCCMNQESA-N 1 1 489.020 2.735 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001296082630 1064150291 /nfs/dbraw/zinc/15/02/91/1064150291.db2.gz DPCZVGWJAHWTPQ-ICSRJNTNSA-N 1 1 453.505 2.735 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296083020 1064150879 /nfs/dbraw/zinc/15/08/79/1064150879.db2.gz BPNCURXEECRZRW-IBGZPJMESA-N 1 1 478.638 2.819 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001296083558 1064151228 /nfs/dbraw/zinc/15/12/28/1064151228.db2.gz GDQOTNUNEQPPIJ-OAQYLSRUSA-N 1 1 497.669 2.938 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291614504 1064151845 /nfs/dbraw/zinc/15/18/45/1064151845.db2.gz LVSFUKQPBYFHFR-NRFANRHFSA-N 1 1 469.682 2.634 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296084733 1064152250 /nfs/dbraw/zinc/15/22/50/1064152250.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296084733 1064152253 /nfs/dbraw/zinc/15/22/53/1064152253.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296085012 1064153335 /nfs/dbraw/zinc/15/33/35/1064153335.db2.gz PQXKNNABYQIQFA-GOSISDBHSA-N 1 1 461.632 2.842 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084970 1064153370 /nfs/dbraw/zinc/15/33/70/1064153370.db2.gz BLIPIALLZVIYSH-VQTJNVASSA-N 1 1 489.665 2.545 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001296086537 1064154464 /nfs/dbraw/zinc/15/44/64/1064154464.db2.gz ZFNLAOLMRPAAHX-AEFFLSMTSA-N 1 1 454.545 2.626 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001296086544 1064155016 /nfs/dbraw/zinc/15/50/16/1064155016.db2.gz ZFNLAOLMRPAAHX-SJLPKXTDSA-N 1 1 454.545 2.626 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296086887 1064155044 /nfs/dbraw/zinc/15/50/44/1064155044.db2.gz BTBBVKRIBYUNGH-IBGZPJMESA-N 1 1 491.658 2.850 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC ZINC001296086934 1064155457 /nfs/dbraw/zinc/15/54/57/1064155457.db2.gz CEUDNGKBVAOKFC-ZWKOTPCHSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC ZINC001296086933 1064155511 /nfs/dbraw/zinc/15/55/11/1064155511.db2.gz CEUDNGKBVAOKFC-ROUUACIJSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001296087304 1064156108 /nfs/dbraw/zinc/15/61/08/1064156108.db2.gz DTUSPBGVDBVDJY-CTNGQTDRSA-N 1 1 490.674 2.685 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088009 1064157786 /nfs/dbraw/zinc/15/77/86/1064157786.db2.gz QCHOZHDKFBNLKO-RTBURBONSA-N 1 1 475.638 2.597 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088006 1064157793 /nfs/dbraw/zinc/15/77/93/1064157793.db2.gz QCHOZHDKFBNLKO-OALUTQOASA-N 1 1 475.638 2.597 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296088429 1064158937 /nfs/dbraw/zinc/15/89/37/1064158937.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296088429 1064158943 /nfs/dbraw/zinc/15/89/43/1064158943.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001296089311 1064160111 /nfs/dbraw/zinc/16/01/11/1064160111.db2.gz OBJUNIGOYIXTFE-BXKMTCNYSA-N 1 1 456.591 2.538 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001296093212 1064165691 /nfs/dbraw/zinc/16/56/91/1064165691.db2.gz MEZGQPMFWGMRKZ-HXUWFJFHSA-N 1 1 470.618 2.929 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001296094848 1064167036 /nfs/dbraw/zinc/16/70/36/1064167036.db2.gz AKVSCYZCLSBYEB-NJDAHSKKSA-N 1 1 496.722 2.589 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095276 1064167581 /nfs/dbraw/zinc/16/75/81/1064167581.db2.gz GFNYVBVLVVFQGS-FBBABVLZSA-N 1 1 476.647 2.849 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626805 1064167724 /nfs/dbraw/zinc/16/77/24/1064167724.db2.gz AJCPDMNAAAIFNJ-LADGPHEKSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626805 1064167732 /nfs/dbraw/zinc/16/77/32/1064167732.db2.gz AJCPDMNAAAIFNJ-LADGPHEKSA-N 1 1 483.705 2.673 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095391 1064168587 /nfs/dbraw/zinc/16/85/87/1064168587.db2.gz ITYDJXXUBMGUGN-NQIIRXRSSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296096015 1064169238 /nfs/dbraw/zinc/16/92/38/1064169238.db2.gz KYASJDVZELECHH-HXUWFJFHSA-N 1 1 470.618 2.511 20 0 JFADMO CCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001296102026 1064177001 /nfs/dbraw/zinc/17/70/01/1064177001.db2.gz BCAMPTOKQONBCI-UHFFFAOYSA-N 1 1 458.607 2.751 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291631427 1064177785 /nfs/dbraw/zinc/17/77/85/1064177785.db2.gz VLXNLJLMOXPJPS-FGZHOGPDSA-N 1 1 461.699 2.902 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291632505 1064181521 /nfs/dbraw/zinc/18/15/21/1064181521.db2.gz UJXDNFBYQMMNQI-FXAWDEMLSA-N 1 1 476.613 2.684 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1CCOCC1 ZINC001291632462 1064181533 /nfs/dbraw/zinc/18/15/33/1064181533.db2.gz TVXCWIOHRNUDJG-RBBKRZOGSA-N 1 1 457.619 2.780 20 0 JFADMO CCN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001296103544 1064181680 /nfs/dbraw/zinc/18/16/80/1064181680.db2.gz SRSOASBMACTIGB-NRFANRHFSA-N 1 1 475.037 2.894 20 0 JFADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC001291634780 1064183715 /nfs/dbraw/zinc/18/37/15/1064183715.db2.gz ITSYMAPJENQDGU-JOCHJYFZSA-N 1 1 453.587 2.707 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291638451 1064185697 /nfs/dbraw/zinc/18/56/97/1064185697.db2.gz MWTKQZLPGAFUNV-WIYYLYMNSA-N 1 1 461.680 2.726 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001291640393 1064189424 /nfs/dbraw/zinc/18/94/24/1064189424.db2.gz RQAIQXONCQUIHG-WBADGQHESA-N 1 1 462.683 2.574 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001291643292 1064193761 /nfs/dbraw/zinc/19/37/61/1064193761.db2.gz GWXBCYCMJFHGOD-QGZVFWFLSA-N 1 1 495.719 2.942 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccnc1-n1cccn1 ZINC001291643736 1064195593 /nfs/dbraw/zinc/19/55/93/1064195593.db2.gz QUPAPSLMBMDNRC-HXUWFJFHSA-N 1 1 452.607 2.968 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647838 1064201665 /nfs/dbraw/zinc/20/16/65/1064201665.db2.gz FPGFETYAPPQAAJ-DOTOQJQBSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647838 1064201675 /nfs/dbraw/zinc/20/16/75/1064201675.db2.gz FPGFETYAPPQAAJ-DOTOQJQBSA-N 1 1 454.497 2.697 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118737 1064201891 /nfs/dbraw/zinc/20/18/91/1064201891.db2.gz IYXTZONRVMUMEQ-SZPZYZBQSA-N 1 1 473.710 2.725 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](C)SC)CC2)CC1 ZINC001296118802 1064202208 /nfs/dbraw/zinc/20/22/08/1064202208.db2.gz KJNHILXXOXYLDV-FPOVZHCZSA-N 1 1 478.707 2.694 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@H](C)Oc3ccc(OC)cc3)CC2)CC1 ZINC001296118859 1064202302 /nfs/dbraw/zinc/20/23/02/1064202302.db2.gz KZDOFSDCHNSOCH-FQEVSTJZSA-N 1 1 484.645 2.833 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H](OC)C(C)C)CC2)CC1 ZINC001296118919 1064202755 /nfs/dbraw/zinc/20/27/55/1064202755.db2.gz LMQDFYOVYIAWDN-QFIPXVFZSA-N 1 1 471.650 2.715 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+]3CC)CC2)CC1 ZINC001296119488 1064204843 /nfs/dbraw/zinc/20/48/43/1064204843.db2.gz VLXXEHMRFQSLKO-QFIPXVFZSA-N 1 1 459.683 2.656 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120372 1064209470 /nfs/dbraw/zinc/20/94/70/1064209470.db2.gz IFCUGVTVSZNACT-SFHVURJKSA-N 1 1 460.696 2.827 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291665844 1064210425 /nfs/dbraw/zinc/21/04/25/1064210425.db2.gz ADEHVQQZGKQQAL-QZTJIDSGSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291665844 1064210432 /nfs/dbraw/zinc/21/04/32/1064210432.db2.gz ADEHVQQZGKQQAL-QZTJIDSGSA-N 1 1 461.611 2.987 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120563 1064210624 /nfs/dbraw/zinc/21/06/24/1064210624.db2.gz JOQDHXTWRXCZNC-FUHWJXTLSA-N 1 1 480.455 2.677 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291672384 1064213963 /nfs/dbraw/zinc/21/39/63/1064213963.db2.gz QVHVLUKGDZZUBV-WMZHIEFXSA-N 1 1 468.646 2.970 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296122348 1064214511 /nfs/dbraw/zinc/21/45/11/1064214511.db2.gz VXNAINAMJUSWDV-RBUKOAKNSA-N 1 1 474.053 2.682 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122265 1064214655 /nfs/dbraw/zinc/21/46/55/1064214655.db2.gz UXXYOSXIORRAMS-WOJBJXKFSA-N 1 1 463.671 2.873 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296122564 1064215092 /nfs/dbraw/zinc/21/50/92/1064215092.db2.gz XTMPBYDRNBDXNL-DCLXLUIPSA-N 1 1 486.661 2.850 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291687932 1064217772 /nfs/dbraw/zinc/21/77/72/1064217772.db2.gz KJBAYRABDVQVIP-GSRZOBFVSA-N 1 1 462.639 2.694 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001296124878 1064217915 /nfs/dbraw/zinc/21/79/15/1064217915.db2.gz KFENFFLPIPZVHN-BHIFYINESA-N 1 1 456.635 2.520 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291687933 1064218008 /nfs/dbraw/zinc/21/80/08/1064218008.db2.gz KJBAYRABDVQVIP-LYXWCMDISA-N 1 1 462.639 2.694 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125561 1064219093 /nfs/dbraw/zinc/21/90/93/1064219093.db2.gz MSTKVHZNGKERFY-SIKLNZKXSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125559 1064219170 /nfs/dbraw/zinc/21/91/70/1064219170.db2.gz MSTKVHZNGKERFY-DENIHFKCSA-N 1 1 477.053 2.866 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001291696033 1064220016 /nfs/dbraw/zinc/22/00/16/1064220016.db2.gz SJVQTUPAEAWNLT-HXUWFJFHSA-N 1 1 454.619 2.877 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126454 1064220559 /nfs/dbraw/zinc/22/05/59/1064220559.db2.gz QHRWTYSHVMHQPH-MOPGFXCFSA-N 1 1 467.618 2.536 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126886 1064221353 /nfs/dbraw/zinc/22/13/53/1064221353.db2.gz SNQWNFIOTOKFKP-IBGZPJMESA-N 1 1 479.629 2.869 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127358 1064221616 /nfs/dbraw/zinc/22/16/16/1064221616.db2.gz UXZYBVLBDKKSBI-CCLHPLFOSA-N 1 1 481.689 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128354 1064222493 /nfs/dbraw/zinc/22/24/93/1064222493.db2.gz YNXUQEPTJFJIAF-OAQYLSRUSA-N 1 1 470.662 2.969 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128353 1064222514 /nfs/dbraw/zinc/22/25/14/1064222514.db2.gz YNXUQEPTJFJIAF-NRFANRHFSA-N 1 1 470.662 2.969 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291714154 1064224479 /nfs/dbraw/zinc/22/44/79/1064224479.db2.gz OGNGQJQSIQMISQ-HXUWFJFHSA-N 1 1 464.618 2.777 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131434 1064225950 /nfs/dbraw/zinc/22/59/50/1064225950.db2.gz KQLOVDNSUQPFKG-NHCUHLMSSA-N 1 1 493.697 2.705 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131766 1064226879 /nfs/dbraw/zinc/22/68/79/1064226879.db2.gz MXRLCEHNIIYVJJ-HXUWFJFHSA-N 1 1 490.766 2.896 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131767 1064227002 /nfs/dbraw/zinc/22/70/02/1064227002.db2.gz MYXJNUWHZLZCOE-IBGZPJMESA-N 1 1 473.632 2.967 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131837 1064227438 /nfs/dbraw/zinc/22/74/38/1064227438.db2.gz OGOCCRXPUSUIBW-DXIQSLLYSA-N 1 1 461.054 2.755 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132594 1064230831 /nfs/dbraw/zinc/23/08/31/1064230831.db2.gz BVDZRVQYTWUYHV-OAQYLSRUSA-N 1 1 473.710 2.831 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132875 1064232113 /nfs/dbraw/zinc/23/21/13/1064232113.db2.gz XDFYJIYBJAKCGP-QYZOEREBSA-N 1 1 462.589 2.787 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133185 1064232672 /nfs/dbraw/zinc/23/26/72/1064232672.db2.gz GMKVHNFFSKUSHE-CLOONOSVSA-N 1 1 458.626 2.839 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296133211 1064233171 /nfs/dbraw/zinc/23/31/71/1064233171.db2.gz GZPAFSWLVZTYFG-PMACEKPBSA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296133931 1064234949 /nfs/dbraw/zinc/23/49/49/1064234949.db2.gz LKDCYHHTYKGXIK-FQEVSTJZSA-N 1 1 457.667 2.609 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001291752357 1064235117 /nfs/dbraw/zinc/23/51/17/1064235117.db2.gz IPLYSZHVJXUKBD-GOSISDBHSA-N 1 1 456.591 2.652 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291752336 1064235179 /nfs/dbraw/zinc/23/51/79/1064235179.db2.gz IHWCACBDORNLFF-GOSISDBHSA-N 1 1 475.588 2.849 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134299 1064235241 /nfs/dbraw/zinc/23/52/41/1064235241.db2.gz XYUCCZYGMOHPHP-FCHUYYIVSA-N 1 1 455.651 2.662 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296134377 1064235858 /nfs/dbraw/zinc/23/58/58/1064235858.db2.gz OJZLZSOAXGWMAM-MOPGFXCFSA-N 1 1 491.731 2.627 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134379 1064235918 /nfs/dbraw/zinc/23/59/18/1064235918.db2.gz OJZLZSOAXGWMAM-RBUKOAKNSA-N 1 1 491.731 2.627 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001296134692 1064236180 /nfs/dbraw/zinc/23/61/80/1064236180.db2.gz PIXMCJUHMCSDIL-HXUWFJFHSA-N 1 1 454.623 2.704 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001296134669 1064236194 /nfs/dbraw/zinc/23/61/94/1064236194.db2.gz ZMTRTGVPNBPYOX-LAUBAEHRSA-N 1 1 475.588 2.560 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134561 1064236236 /nfs/dbraw/zinc/23/62/36/1064236236.db2.gz YNFWLSOAOWDVAD-IBGZPJMESA-N 1 1 459.639 2.903 20 0 JFADMO CC[C@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291754468 1064236641 /nfs/dbraw/zinc/23/66/41/1064236641.db2.gz QYJWAKDRTOCMLC-UFYCRDLUSA-N 1 1 484.711 2.604 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134833 1064237040 /nfs/dbraw/zinc/23/70/40/1064237040.db2.gz RATWMNQJDPXHJE-OAQYLSRUSA-N 1 1 473.710 2.732 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCC(C(=O)N(C)C(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001296135184 1064238343 /nfs/dbraw/zinc/23/83/43/1064238343.db2.gz XBMHIBSSGADHMZ-FQEVSTJZSA-N 1 1 461.699 2.685 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135134 1064238507 /nfs/dbraw/zinc/23/85/07/1064238507.db2.gz WMBLJYMYDCCQCH-RXVVDRJESA-N 1 1 457.671 2.651 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001291758789 1064238437 /nfs/dbraw/zinc/23/84/37/1064238437.db2.gz AXKLSHWTJMVHKM-CQSZACIVSA-N 1 1 467.387 2.903 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001291758695 1064238527 /nfs/dbraw/zinc/23/85/27/1064238527.db2.gz BQEZGEBFWXMYDN-IEBWSBKVSA-N 1 1 491.036 2.981 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291759416 1064239179 /nfs/dbraw/zinc/23/91/79/1064239179.db2.gz DYIDNKMNKXETLV-JTAQYXEDSA-N 1 1 456.635 2.841 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001291759040 1064239391 /nfs/dbraw/zinc/23/93/91/1064239391.db2.gz DIGNHWVVKJXQKM-UFYCRDLUSA-N 1 1 491.681 2.982 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296135462 1064239612 /nfs/dbraw/zinc/23/96/12/1064239612.db2.gz YUWXXSFGKFAOIC-NRFANRHFSA-N 1 1 496.660 2.951 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 ZINC001291759748 1064240084 /nfs/dbraw/zinc/24/00/84/1064240084.db2.gz HYNTZEUYWYDALS-AWEZNQCLSA-N 1 1 468.400 2.654 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001291759744 1064240118 /nfs/dbraw/zinc/24/01/18/1064240118.db2.gz HYAGZSFUHGCORE-RLFYNMQTSA-N 1 1 478.439 2.823 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 ZINC001291760021 1064241422 /nfs/dbraw/zinc/24/14/22/1064241422.db2.gz MQNWIACXSMCPBR-LJQANCHMSA-N 1 1 490.722 2.807 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 ZINC001291760021 1064241427 /nfs/dbraw/zinc/24/14/27/1064241427.db2.gz MQNWIACXSMCPBR-LJQANCHMSA-N 1 1 490.722 2.807 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291760309 1064241884 /nfs/dbraw/zinc/24/18/84/1064241884.db2.gz PMCVULJCHIMZAY-KURKYZTESA-N 1 1 477.679 2.891 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 ZINC001291760827 1064242251 /nfs/dbraw/zinc/24/22/51/1064242251.db2.gz OBZSHYUGNQRUFY-GOSISDBHSA-N 1 1 478.663 2.541 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)C1 ZINC001291760829 1064242313 /nfs/dbraw/zinc/24/23/13/1064242313.db2.gz OBZSHYUGNQRUFY-SFHVURJKSA-N 1 1 478.663 2.541 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC001296136668 1064242340 /nfs/dbraw/zinc/24/23/40/1064242340.db2.gz KBYQPHCZQVXFNB-SFHVURJKSA-N 1 1 468.581 2.514 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291761286 1064242728 /nfs/dbraw/zinc/24/27/28/1064242728.db2.gz OTHDJHUBMKKFNQ-RDJZCZTQSA-N 1 1 450.534 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761845 1064242894 /nfs/dbraw/zinc/24/28/94/1064242894.db2.gz VSAOXXODJIQUEZ-ZWKOTPCHSA-N 1 1 461.586 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001291762273 1064243178 /nfs/dbraw/zinc/24/31/78/1064243178.db2.gz XRPACPHOSYMTOW-FQEVSTJZSA-N 1 1 475.682 2.766 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296137442 1064243204 /nfs/dbraw/zinc/24/32/04/1064243204.db2.gz OQSLYMODFXXJAF-MOPGFXCFSA-N 1 1 489.665 2.736 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001291761984 1064243226 /nfs/dbraw/zinc/24/32/26/1064243226.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 1 1 496.498 2.933 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001291761984 1064243232 /nfs/dbraw/zinc/24/32/32/1064243232.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 1 1 496.498 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC001296137464 1064243718 /nfs/dbraw/zinc/24/37/18/1064243718.db2.gz PDAMVTRMLVKNDX-INIZCTEOSA-N 1 1 476.025 2.937 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291763098 1064243739 /nfs/dbraw/zinc/24/37/39/1064243739.db2.gz VXIPUOILHFXKKP-MZLICYQSSA-N 1 1 486.661 2.850 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC(F)F)c2)C[C@H]1C ZINC001296139042 1064245965 /nfs/dbraw/zinc/24/59/65/1064245965.db2.gz ZVVYQTOUOHLCPZ-OAHLLOKOSA-N 1 1 466.533 2.605 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCC2)C[C@@H]1C ZINC001296140890 1064246094 /nfs/dbraw/zinc/24/60/94/1064246094.db2.gz ACFBQAQHWOUBBQ-KRWDZBQOSA-N 1 1 459.591 2.806 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC001296140946 1064246589 /nfs/dbraw/zinc/24/65/89/1064246589.db2.gz ALDNZVGCBQBRAZ-WOJBJXKFSA-N 1 1 453.591 2.767 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NC(C)C)C[C@@H]1C ZINC001296141224 1064247130 /nfs/dbraw/zinc/24/71/30/1064247130.db2.gz CBKSZUGXPZHKMX-AWEZNQCLSA-N 1 1 467.387 2.902 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001291766676 1064248014 /nfs/dbraw/zinc/24/80/14/1064248014.db2.gz DYLLLMPHPFGVFX-NHCUHLMSSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001291766676 1064248024 /nfs/dbraw/zinc/24/80/24/1064248024.db2.gz DYLLLMPHPFGVFX-NHCUHLMSSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291766692 1064248491 /nfs/dbraw/zinc/24/84/91/1064248491.db2.gz FKKFSJHQPUTEKV-PKOBYXMFSA-N 1 1 477.631 2.808 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001296142573 1064249030 /nfs/dbraw/zinc/24/90/30/1064249030.db2.gz DJEHQRFCELRJMT-GOSISDBHSA-N 1 1 464.574 2.686 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296142316 1064249081 /nfs/dbraw/zinc/24/90/81/1064249081.db2.gz DDADFWDIWIBTAI-WMZOPIPTSA-N 1 1 464.561 2.947 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 ZINC001291767454 1064249417 /nfs/dbraw/zinc/24/94/17/1064249417.db2.gz MYOHLDNZKWVIFH-FQEVSTJZSA-N 1 1 451.619 2.992 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001291768515 1064250712 /nfs/dbraw/zinc/25/07/12/1064250712.db2.gz XAVPFOWRLAXUNZ-UXHICEINSA-N 1 1 499.685 2.989 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296142744 1064251026 /nfs/dbraw/zinc/25/10/26/1064251026.db2.gz MXUXWJPVCVBNKJ-QGZVFWFLSA-N 1 1 465.440 2.816 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001296143066 1064252156 /nfs/dbraw/zinc/25/21/56/1064252156.db2.gz OZQMENAHIGOJAP-XXBNENTESA-N 1 1 467.680 2.761 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCNC(=O)[C@H]1CC ZINC001291770950 1064252265 /nfs/dbraw/zinc/25/22/65/1064252265.db2.gz AXHMQFMLXURRJT-GHTZIAJQSA-N 1 1 494.644 2.681 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291771028 1064252676 /nfs/dbraw/zinc/25/26/76/1064252676.db2.gz DJTMGCLUDDXFKA-MGPUTAFESA-N 1 1 457.545 2.939 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001296143431 1064252973 /nfs/dbraw/zinc/25/29/73/1064252973.db2.gz QEZKRNBALHJVPF-HOYKHHGWSA-N 1 1 453.591 2.653 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771234 1064253054 /nfs/dbraw/zinc/25/30/54/1064253054.db2.gz DAGYTRHWMYVFTD-GGAORHGYSA-N 1 1 495.672 2.631 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)C[C@H]1C ZINC001296143666 1064253070 /nfs/dbraw/zinc/25/30/70/1064253070.db2.gz IPRMHPGDTNEQLN-MRXNPFEDSA-N 1 1 455.513 2.977 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2COCCO2)C[C@H]1C ZINC001296144805 1064254369 /nfs/dbraw/zinc/25/43/69/1064254369.db2.gz WEOJQSRHROJTSZ-ZBFHGGJFSA-N 1 1 468.371 2.793 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001291772018 1064255081 /nfs/dbraw/zinc/25/50/81/1064255081.db2.gz NHNYMVFKPFXJAF-RTBURBONSA-N 1 1 458.655 2.786 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001296145162 1064255473 /nfs/dbraw/zinc/25/54/73/1064255473.db2.gz XEMDRRDJEPBSHQ-KRWDZBQOSA-N 1 1 469.590 2.706 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296145112 1064255504 /nfs/dbraw/zinc/25/55/04/1064255504.db2.gz DAVBRQWCWYJSBM-HNNXBMFYSA-N 1 1 491.434 2.773 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001291772350 1064255734 /nfs/dbraw/zinc/25/57/34/1064255734.db2.gz POCPDOPLWNZYCZ-LJQANCHMSA-N 1 1 480.592 2.957 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296145572 1064255750 /nfs/dbraw/zinc/25/57/50/1064255750.db2.gz FVGZDAXSVWJDJO-LLVKDONJSA-N 1 1 495.369 2.978 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772827 1064256359 /nfs/dbraw/zinc/25/63/59/1064256359.db2.gz CPSVCJITDIZBCS-ROUUACIJSA-N 1 1 496.628 2.515 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001291773061 1064257327 /nfs/dbraw/zinc/25/73/27/1064257327.db2.gz TUQSCNMPEINYGE-BHIFYINESA-N 1 1 484.693 2.820 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001291773062 1064257379 /nfs/dbraw/zinc/25/73/79/1064257379.db2.gz TUQSCNMPEINYGE-FDFHNCONSA-N 1 1 484.693 2.820 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291772999 1064257396 /nfs/dbraw/zinc/25/73/96/1064257396.db2.gz DFPXTBPPPRBUCV-RBBKRZOGSA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001291773063 1064257437 /nfs/dbraw/zinc/25/74/37/1064257437.db2.gz TUQSCNMPEINYGE-FKBYEOEOSA-N 1 1 484.693 2.820 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001296147898 1064258947 /nfs/dbraw/zinc/25/89/47/1064258947.db2.gz UIBYYDOUZDAXGS-RBUKOAKNSA-N 1 1 478.663 2.502 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001291773642 1064258929 /nfs/dbraw/zinc/25/89/29/1064258929.db2.gz VEFKXLAMCBTTNQ-BBTUJRGHSA-N 1 1 467.618 2.784 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@H]1C ZINC001296148537 1064260416 /nfs/dbraw/zinc/26/04/16/1064260416.db2.gz XRHIRNZGLFXGEQ-GDBMZVCRSA-N 1 1 478.594 2.661 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001291773947 1064261389 /nfs/dbraw/zinc/26/13/89/1064261389.db2.gz YEQMCUZUUZSLDR-HXUWFJFHSA-N 1 1 485.658 2.823 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001296149779 1064261705 /nfs/dbraw/zinc/26/17/05/1064261705.db2.gz KKLBBJCCUIJDGV-NYHFZMIOSA-N 1 1 491.434 2.725 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001296150588 1064262483 /nfs/dbraw/zinc/26/24/83/1064262483.db2.gz ONBHJSKJMOCGLC-MZNJEOGPSA-N 1 1 455.559 2.993 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001291774385 1064262588 /nfs/dbraw/zinc/26/25/88/1064262588.db2.gz MWUJXDPLWIQHDY-WCIQWLHISA-N 1 1 478.638 2.684 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001296151388 1064262905 /nfs/dbraw/zinc/26/29/05/1064262905.db2.gz YYDBNONJVFSCDH-UYAOXDASSA-N 1 1 459.591 2.687 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001296154081 1064263813 /nfs/dbraw/zinc/26/38/13/1064263813.db2.gz BCVANBAWIFEQIY-OALUTQOASA-N 1 1 453.591 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264267 /nfs/dbraw/zinc/26/42/67/1064264267.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 1 1 477.451 2.959 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001296154805 1064266052 /nfs/dbraw/zinc/26/60/52/1064266052.db2.gz KFYFVYNXEBVEDL-RTBURBONSA-N 1 1 470.622 2.913 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291778410 1064266395 /nfs/dbraw/zinc/26/63/95/1064266395.db2.gz JHOWJNGERPAOKN-HXUWFJFHSA-N 1 1 477.613 2.662 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001291781302 1064268314 /nfs/dbraw/zinc/26/83/14/1064268314.db2.gz DIIKHMYVAHTWDN-QUCCMNQESA-N 1 1 461.680 2.523 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001291781555 1064268924 /nfs/dbraw/zinc/26/89/24/1064268924.db2.gz GDBJKXBOHVRAKE-JXFKEZNVSA-N 1 1 458.636 2.676 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291781754 1064268965 /nfs/dbraw/zinc/26/89/65/1064268965.db2.gz HQWJUXIEAGMJQN-QGZVFWFLSA-N 1 1 483.646 2.701 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001291781783 1064269607 /nfs/dbraw/zinc/26/96/07/1064269607.db2.gz IFUQUYSCBZSNHW-FQEVSTJZSA-N 1 1 479.604 2.982 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C[C@@H]1C ZINC001296157475 1064269816 /nfs/dbraw/zinc/26/98/16/1064269816.db2.gz XTKVTIWZMPQJML-GOEBONIOSA-N 1 1 452.481 2.707 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291782181 1064270114 /nfs/dbraw/zinc/27/01/14/1064270114.db2.gz MBJGLEPCMSQNLF-SFHVURJKSA-N 1 1 454.623 2.598 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291782288 1064270470 /nfs/dbraw/zinc/27/04/70/1064270470.db2.gz CKIPCUPATMQJRM-APWZRJJASA-N 1 1 470.039 2.864 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291782273 1064270580 /nfs/dbraw/zinc/27/05/80/1064270580.db2.gz CFNZUAVZRATJKV-OAQYLSRUSA-N 1 1 492.672 2.894 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001291782295 1064270625 /nfs/dbraw/zinc/27/06/25/1064270625.db2.gz CMZCAUVZRFUFOM-WIYYLYMNSA-N 1 1 458.582 2.848 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001291782322 1064270645 /nfs/dbraw/zinc/27/06/45/1064270645.db2.gz CXNGKOQYCAEVLK-FQEVSTJZSA-N 1 1 457.623 2.666 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)C[C@H]1C ZINC001296160726 1064274800 /nfs/dbraw/zinc/27/48/00/1064274800.db2.gz HNOPQQQEASKXLV-LJQANCHMSA-N 1 1 454.619 2.857 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@H]1C ZINC001296161341 1064274883 /nfs/dbraw/zinc/27/48/83/1064274883.db2.gz JPACSDNWILBEOD-CTNGQTDRSA-N 1 1 492.615 2.764 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001296160814 1064274969 /nfs/dbraw/zinc/27/49/69/1064274969.db2.gz PMHJJDXILVICBZ-XUVXKRRUSA-N 1 1 463.671 2.873 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291783943 1064278398 /nfs/dbraw/zinc/27/83/98/1064278398.db2.gz PPFSYVCRABMTSN-LJQANCHMSA-N 1 1 463.648 2.909 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1=O ZINC001296163559 1064279032 /nfs/dbraw/zinc/27/90/32/1064279032.db2.gz ZJHOLFGKLLWSCW-HUUCEWRRSA-N 1 1 452.368 2.806 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2C[C@@]3(CCOC3)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291784672 1064280130 /nfs/dbraw/zinc/28/01/30/1064280130.db2.gz HRXDDUOFWRCMDA-BUUDZMLXSA-N 1 1 479.666 2.823 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291785013 1064280623 /nfs/dbraw/zinc/28/06/23/1064280623.db2.gz VCTLFWBULAAVAV-QGZVFWFLSA-N 1 1 467.611 2.740 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001296163916 1064281049 /nfs/dbraw/zinc/28/10/49/1064281049.db2.gz ZGFXBGQMBFEDIQ-YSTOQKLRSA-N 1 1 478.638 2.542 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296164674 1064281801 /nfs/dbraw/zinc/28/18/01/1064281801.db2.gz AQGPFCGMQZVQBR-QGZVFWFLSA-N 1 1 468.524 2.683 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296164736 1064282152 /nfs/dbraw/zinc/28/21/52/1064282152.db2.gz BNHYMCPODQFRBH-PXNSSMCTSA-N 1 1 474.654 2.831 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001296164963 1064284038 /nfs/dbraw/zinc/28/40/38/1064284038.db2.gz GEBQOBAMXYRTIC-PMACEKPBSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296165431 1064284669 /nfs/dbraw/zinc/28/46/69/1064284669.db2.gz JJGAWQFURJHSQJ-UKILVPOCSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296165431 1064284685 /nfs/dbraw/zinc/28/46/85/1064284685.db2.gz JJGAWQFURJHSQJ-UKILVPOCSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2OC)C[C@@H]1C ZINC001296166165 1064286363 /nfs/dbraw/zinc/28/63/63/1064286363.db2.gz LUQXCZZQFDYKAZ-INIZCTEOSA-N 1 1 472.590 2.996 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167110 1064289017 /nfs/dbraw/zinc/28/90/17/1064289017.db2.gz QRXZWNCVGZZFPG-UXHICEINSA-N 1 1 473.691 2.922 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2OC)C[C@H]1C ZINC001296167383 1064289576 /nfs/dbraw/zinc/28/95/76/1064289576.db2.gz SEYQGSCNVHKMLF-QGZVFWFLSA-N 1 1 484.626 2.866 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001296167488 1064290894 /nfs/dbraw/zinc/29/08/94/1064290894.db2.gz UDBARFLEXCZQIC-CYBMUJFWSA-N 1 1 454.472 2.536 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291535 /nfs/dbraw/zinc/29/15/35/1064291535.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291545 /nfs/dbraw/zinc/29/15/45/1064291545.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001296168964 1064292173 /nfs/dbraw/zinc/29/21/73/1064292173.db2.gz ZFXAJUSLFQHXMG-OAHLLOKOSA-N 1 1 450.509 2.591 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296168966 1064292706 /nfs/dbraw/zinc/29/27/06/1064292706.db2.gz ZGNYNKDYTYIZJK-OAQYLSRUSA-N 1 1 456.635 2.807 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001296170608 1064294155 /nfs/dbraw/zinc/29/41/55/1064294155.db2.gz OLSRCMUYUMSRIW-LJQANCHMSA-N 1 1 454.619 2.980 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001291794643 1064296798 /nfs/dbraw/zinc/29/67/98/1064296798.db2.gz VATUACPRXUAXFI-JYLXEMOASA-N 1 1 481.645 2.725 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)C[C@@H]1C ZINC001296173976 1064300169 /nfs/dbraw/zinc/30/01/69/1064300169.db2.gz NPSIWNHVJPCBHR-SFHVURJKSA-N 1 1 452.607 2.862 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OC)C[C@H]1C ZINC001296173953 1064300453 /nfs/dbraw/zinc/30/04/53/1064300453.db2.gz NELAZPDAEWNBOH-GOSISDBHSA-N 1 1 452.559 2.848 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001296174216 1064302001 /nfs/dbraw/zinc/30/20/01/1064302001.db2.gz OOAVFQODBMJVKG-QGZVFWFLSA-N 1 1 458.998 2.802 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302802 /nfs/dbraw/zinc/30/28/02/1064302802.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 1 1 497.688 2.639 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302815 /nfs/dbraw/zinc/30/28/15/1064302815.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 1 1 497.688 2.639 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302916 /nfs/dbraw/zinc/30/29/16/1064302916.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 1 1 486.661 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302931 /nfs/dbraw/zinc/30/29/31/1064302931.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 1 1 486.661 2.753 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C)n3CC(CC)(CC)NC(=O)OC(C)(C)C)C2)CC1 ZINC001296178618 1064305921 /nfs/dbraw/zinc/30/59/21/1064305921.db2.gz ARRZSOIKBPXOAU-FQEVSTJZSA-N 1 1 463.671 2.886 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179136 1064307793 /nfs/dbraw/zinc/30/77/93/1064307793.db2.gz DMSJSOIGIJWRRT-GGAORHGYSA-N 1 1 456.635 2.575 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179730 1064309691 /nfs/dbraw/zinc/30/96/91/1064309691.db2.gz HQLNEVYXXWIBFS-WIOPSUGQSA-N 1 1 460.667 2.891 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCCO)C2)CC1 ZINC001296179810 1064309773 /nfs/dbraw/zinc/30/97/73/1064309773.db2.gz IOIXLZLRQJGCAQ-FQEVSTJZSA-N 1 1 462.042 2.762 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCCO)C2)CC1 ZINC001296179811 1064309905 /nfs/dbraw/zinc/30/99/05/1064309905.db2.gz IOIXLZLRQJGCAQ-HXUWFJFHSA-N 1 1 462.042 2.762 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001296179902 1064310393 /nfs/dbraw/zinc/31/03/93/1064310393.db2.gz HXHUCLXDCLRHRO-GOSISDBHSA-N 1 1 499.557 2.782 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180250 1064310823 /nfs/dbraw/zinc/31/08/23/1064310823.db2.gz LRBCDZMKGDKJAO-IAGOWNOFSA-N 1 1 462.586 2.989 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180609 1064312592 /nfs/dbraw/zinc/31/25/92/1064312592.db2.gz OOZKSBQGHSORGB-GMAHTHKFSA-N 1 1 499.679 2.566 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296180745 1064312623 /nfs/dbraw/zinc/31/26/23/1064312623.db2.gz QSKUEZKPDGECHH-WMZHIEFXSA-N 1 1 462.042 2.617 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)(C)O)C2)CC1 ZINC001296181056 1064313448 /nfs/dbraw/zinc/31/34/48/1064313448.db2.gz UDLSWKIEMOBBTJ-KRWDZBQOSA-N 1 1 495.441 2.834 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)(C)O)C2)CC1 ZINC001296181057 1064313537 /nfs/dbraw/zinc/31/35/37/1064313537.db2.gz UDLSWKIEMOBBTJ-QGZVFWFLSA-N 1 1 495.441 2.834 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Br)cc4)n3CCCOC)C2)CC1 ZINC001296181293 1064314234 /nfs/dbraw/zinc/31/42/34/1064314234.db2.gz WQCPNFFMLQQZNJ-FQEVSTJZSA-N 1 1 477.451 2.960 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccc(C)cc4)n3CC(C)(C)OC)C2)CC1 ZINC001296181947 1064320051 /nfs/dbraw/zinc/32/00/51/1064320051.db2.gz HZMIRGREUMJHDR-NRFANRHFSA-N 1 1 456.635 2.807 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)(C)C)C2)CC1 ZINC001296182995 1064326067 /nfs/dbraw/zinc/32/60/67/1064326067.db2.gz XOCMXJAWRWPOHU-JOCHJYFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296183849 1064330321 /nfs/dbraw/zinc/33/03/21/1064330321.db2.gz HCUPNFCGTUCCIL-IEBWSBKVSA-N 1 1 494.482 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296184317 1064331751 /nfs/dbraw/zinc/33/17/51/1064331751.db2.gz JOQPBPRIHJHELC-UFYCRDLUSA-N 1 1 486.690 2.529 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296184911 1064332211 /nfs/dbraw/zinc/33/22/11/1064332211.db2.gz MXVNBEQDBCJVFV-OAQYLSRUSA-N 1 1 459.683 2.656 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)OC)CC1 ZINC001296184558 1064332249 /nfs/dbraw/zinc/33/22/49/1064332249.db2.gz LHTWIHNAYHOIBU-INIZCTEOSA-N 1 1 481.439 2.987 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190051 1064336844 /nfs/dbraw/zinc/33/68/44/1064336844.db2.gz BHZFOPVYDKCCGU-LEWJYISDSA-N 1 1 488.681 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296190634 1064339720 /nfs/dbraw/zinc/33/97/20/1064339720.db2.gz DEOJPSCWSMRESL-QFIPXVFZSA-N 1 1 487.737 2.979 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291812977 1064340830 /nfs/dbraw/zinc/34/08/30/1064340830.db2.gz SJQFQXKDBYXAMD-HFMPRLQTSA-N 1 1 495.672 2.629 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001296191527 1064342041 /nfs/dbraw/zinc/34/20/41/1064342041.db2.gz BDYOUKMIABCGQA-WOJBJXKFSA-N 1 1 488.080 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001296191521 1064342058 /nfs/dbraw/zinc/34/20/58/1064342058.db2.gz BDYOUKMIABCGQA-PMACEKPBSA-N 1 1 488.080 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)CC1 ZINC001296191835 1064343232 /nfs/dbraw/zinc/34/32/32/1064343232.db2.gz CFEHJMZPLVQESX-FQEVSTJZSA-N 1 1 462.683 2.971 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291814986 1064343306 /nfs/dbraw/zinc/34/33/06/1064343306.db2.gz BDQXSWYCRJPCJL-QFIPXVFZSA-N 1 1 492.672 2.928 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296192184 1064344106 /nfs/dbraw/zinc/34/41/06/1064344106.db2.gz DLRUUYHKLDZNEE-IEBWSBKVSA-N 1 1 458.573 2.977 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296192109 1064344166 /nfs/dbraw/zinc/34/41/66/1064344166.db2.gz MDKBGJNUNACYHJ-NVQXNPDNSA-N 1 1 469.678 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296192312 1064344762 /nfs/dbraw/zinc/34/47/62/1064344762.db2.gz FCMZGDLVUFQSJL-IRLDBZIGSA-N 1 1 467.662 2.619 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291816669 1064346428 /nfs/dbraw/zinc/34/64/28/1064346428.db2.gz HKQRHQVVQSCQSX-CLOONOSVSA-N 1 1 472.609 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001296192606 1064346566 /nfs/dbraw/zinc/34/65/66/1064346566.db2.gz GBXDAKBTFWHIIS-UNMCSNQZSA-N 1 1 485.652 2.662 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192869 1064347342 /nfs/dbraw/zinc/34/73/42/1064347342.db2.gz HAWBHZOVSNZQNR-NZQKXSOJSA-N 1 1 483.661 2.529 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001291817337 1064349363 /nfs/dbraw/zinc/34/93/63/1064349363.db2.gz KKKLHLGUPAXWLV-LJQANCHMSA-N 1 1 467.643 2.952 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296193334 1064349434 /nfs/dbraw/zinc/34/94/34/1064349434.db2.gz IIUMOPPVYJWPMP-SIKLNZKXSA-N 1 1 474.723 2.745 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296193392 1064350373 /nfs/dbraw/zinc/35/03/73/1064350373.db2.gz IRPCQWARIXARDH-CMKODMSKSA-N 1 1 481.567 2.770 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296193400 1064350419 /nfs/dbraw/zinc/35/04/19/1064350419.db2.gz IRPCQWARIXARDH-NSHGMRRFSA-N 1 1 481.567 2.770 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296193377 1064350453 /nfs/dbraw/zinc/35/04/53/1064350453.db2.gz PBTGNFSUMVLVMV-NJYVYQBISA-N 1 1 458.626 2.895 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296193809 1064353278 /nfs/dbraw/zinc/35/32/78/1064353278.db2.gz JULVNYORQICCCW-FQEVSTJZSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296194122 1064354001 /nfs/dbraw/zinc/35/40/01/1064354001.db2.gz LSYWRIARCCTCLM-IFMALSPDSA-N 1 1 486.661 2.851 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296194619 1064356789 /nfs/dbraw/zinc/35/67/89/1064356789.db2.gz MWROTUMZGPJUNH-LEWJYISDSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296195443 1064361777 /nfs/dbraw/zinc/36/17/77/1064361777.db2.gz KPAAHARITMHRHV-SFTDATJTSA-N 1 1 486.661 2.994 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001296196039 1064364117 /nfs/dbraw/zinc/36/41/17/1064364117.db2.gz ODSDTKROBXSJKZ-JOCHJYFZSA-N 1 1 477.053 2.868 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296196238 1064365860 /nfs/dbraw/zinc/36/58/60/1064365860.db2.gz YEPXVZCIJUEUBQ-OAQYLSRUSA-N 1 1 471.694 2.857 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296196155 1064365899 /nfs/dbraw/zinc/36/58/99/1064365899.db2.gz XMEJNRLTNVWGFQ-GMAHTHKFSA-N 1 1 469.678 2.789 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296196153 1064365966 /nfs/dbraw/zinc/36/59/66/1064365966.db2.gz XMEJNRLTNVWGFQ-GGAORHGYSA-N 1 1 469.678 2.789 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296196562 1064367956 /nfs/dbraw/zinc/36/79/56/1064367956.db2.gz USVKFNBIDZZDQG-NLWGTHIKSA-N 1 1 483.583 2.713 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cscn2)CC1 ZINC001296196690 1064369707 /nfs/dbraw/zinc/36/97/07/1064369707.db2.gz ZCOUNMMSCQXKSJ-IBGZPJMESA-N 1 1 454.648 2.630 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296196943 1064370421 /nfs/dbraw/zinc/37/04/21/1064370421.db2.gz WDFBTOIVZZJXNJ-PKTZIBPZSA-N 1 1 498.672 2.829 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001296196950 1064371211 /nfs/dbraw/zinc/37/12/11/1064371211.db2.gz WWSICMZKMBFTDW-SXWKCWPCSA-N 1 1 483.661 2.709 20 0 JFADMO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)CN1CC[NH+](CC)CC1)C(C)C ZINC001296196942 1064371247 /nfs/dbraw/zinc/37/12/47/1064371247.db2.gz WUIZRYOJLMBPOJ-HXUWFJFHSA-N 1 1 480.661 2.700 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296196988 1064371316 /nfs/dbraw/zinc/37/13/16/1064371316.db2.gz XNKBHIKPUKNKEP-PMACEKPBSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCNC(=O)CC2)CC1 ZINC001296197036 1064372102 /nfs/dbraw/zinc/37/21/02/1064372102.db2.gz WTDGNCKIGBNTGF-QHCPKHFHSA-N 1 1 497.688 2.779 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001296197701 1064374573 /nfs/dbraw/zinc/37/45/73/1064374573.db2.gz ZZFQXVNGOHUUDD-UHFFFAOYSA-N 1 1 453.635 2.859 20 0 JFADMO Cc1cc(Br)cn2cc(CCNC(=O)c3cc4c(nc[nH+]c4N(C)C)n3C)nc12 ZINC001296200131 1064375217 /nfs/dbraw/zinc/37/52/17/1064375217.db2.gz NXQROQTZPZBXJJ-UHFFFAOYSA-N 1 1 456.348 2.725 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296202126 1064376568 /nfs/dbraw/zinc/37/65/68/1064376568.db2.gz FBEPQIJWWVPBSG-NRFANRHFSA-N 1 1 482.739 2.688 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296202171 1064377028 /nfs/dbraw/zinc/37/70/28/1064377028.db2.gz FZHKULGGLWBUFS-NRFANRHFSA-N 1 1 474.053 2.937 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296202168 1064377142 /nfs/dbraw/zinc/37/71/42/1064377142.db2.gz FWDCZJXNHKNCPH-JOCHJYFZSA-N 1 1 472.682 2.561 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296202550 1064378571 /nfs/dbraw/zinc/37/85/71/1064378571.db2.gz FHVLSRIJYTYJBO-UHFFFAOYSA-N 1 1 463.577 2.782 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001296202616 1064378615 /nfs/dbraw/zinc/37/86/15/1064378615.db2.gz GQCSHJTZCOFHDZ-RUZDIDTESA-N 1 1 472.682 2.563 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296203757 1064382941 /nfs/dbraw/zinc/38/29/41/1064382941.db2.gz OZQZDWXYTJHGLT-QZTJIDSGSA-N 1 1 494.482 2.687 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296203807 1064383573 /nfs/dbraw/zinc/38/35/73/1064383573.db2.gz OXQPDQTYBSCGSS-UHFFFAOYSA-N 1 1 499.679 2.730 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296204552 1064386383 /nfs/dbraw/zinc/38/63/83/1064386383.db2.gz WRIWNWWQGXSESJ-UHFFFAOYSA-N 1 1 454.623 2.579 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205075 1064387779 /nfs/dbraw/zinc/38/77/79/1064387779.db2.gz WVPHGVMXIRPWOY-KNQAVFIVSA-N 1 1 471.625 2.983 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2scnc2C)CC1 ZINC001296205189 1064389625 /nfs/dbraw/zinc/38/96/25/1064389625.db2.gz YCRGPCWHPUYAIA-HXUWFJFHSA-N 1 1 461.680 2.991 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296205203 1064390091 /nfs/dbraw/zinc/39/00/91/1064390091.db2.gz YHYTZXKTXCIFHY-UHFFFAOYSA-N 1 1 475.682 2.878 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CC3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296205305 1064391041 /nfs/dbraw/zinc/39/10/41/1064391041.db2.gz SNAVOSMLYWUMQO-UHFFFAOYSA-N 1 1 461.561 2.536 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001291831126 1064391456 /nfs/dbraw/zinc/39/14/56/1064391456.db2.gz ZUMSNZOKKJPXAA-FKBYEOEOSA-N 1 1 461.699 2.949 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296206145 1064393397 /nfs/dbraw/zinc/39/33/97/1064393397.db2.gz IUCZXBOOIJDKJJ-UHFFFAOYSA-N 1 1 474.053 2.685 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001296206295 1064394752 /nfs/dbraw/zinc/39/47/52/1064394752.db2.gz MMQVVTBIBPWIDR-IBGZPJMESA-N 1 1 481.016 2.617 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296206309 1064394803 /nfs/dbraw/zinc/39/48/03/1064394803.db2.gz NBEPLWNVFVCWOS-QFIPXVFZSA-N 1 1 481.689 2.972 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296206291 1064394835 /nfs/dbraw/zinc/39/48/35/1064394835.db2.gz MIQDENWFMBTKJI-LJQANCHMSA-N 1 1 461.010 2.625 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832258 1064396045 /nfs/dbraw/zinc/39/60/45/1064396045.db2.gz GBOSHXOBGQSNRN-VXKWHMMOSA-N 1 1 497.688 2.722 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296206463 1064396414 /nfs/dbraw/zinc/39/64/14/1064396414.db2.gz RREVCAQOCGHJAE-UHFFFAOYSA-N 1 1 462.042 2.587 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296207579 1064398792 /nfs/dbraw/zinc/39/87/92/1064398792.db2.gz YLVRSWXAXLBZRC-OFNKIYASSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CC=C(COC)CC2)CC1 ZINC001296212248 1064403738 /nfs/dbraw/zinc/40/37/38/1064403738.db2.gz VUVMAOOYRXHKCD-UHFFFAOYSA-N 1 1 456.610 2.819 20 0 JFADMO CCn1nc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296214666 1064413328 /nfs/dbraw/zinc/41/33/28/1064413328.db2.gz NUBBQCPRNKIGKB-IBGZPJMESA-N 1 1 467.618 2.878 20 0 JFADMO CCn1nc(-c2nnc(N3CCC[C@H]3C)n2CC[N@@H+](C)CCCOC)c2ccccc2c1=O ZINC001296218697 1064429535 /nfs/dbraw/zinc/42/95/35/1064429535.db2.gz BVJUXIGJHXIVNE-GOSISDBHSA-N 1 1 453.591 2.632 20 0 JFADMO Cc1ccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c(N2CCCC2)[nH+]1 ZINC001296221299 1064439649 /nfs/dbraw/zinc/43/96/49/1064439649.db2.gz DLQUEMCIGHSAAF-OFVILXPXSA-N 1 1 452.555 2.769 20 0 JFADMO Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)c(N2CCCC2)[nH+]1 ZINC001296221301 1064440264 /nfs/dbraw/zinc/44/02/64/1064440264.db2.gz DLQUEMCIGHSAAF-SQJMNOBHSA-N 1 1 452.555 2.769 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC001291841442 1064441767 /nfs/dbraw/zinc/44/17/67/1064441767.db2.gz WBGSYVZYLKNRAE-ZJCBTPCYSA-N 1 1 486.686 2.728 20 0 JFADMO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291845679 1064452408 /nfs/dbraw/zinc/45/24/08/1064452408.db2.gz CHXNCIDIFDMIMB-JPYJTQIMSA-N 1 1 458.010 2.910 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001291845919 1064453493 /nfs/dbraw/zinc/45/34/93/1064453493.db2.gz UHBOFIVVVRKFQP-MDNUFGMLSA-N 1 1 489.686 2.944 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001296230834 1064464962 /nfs/dbraw/zinc/46/49/62/1064464962.db2.gz BWLMEEGECLBIPI-KNQAVFIVSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291857908 1064466137 /nfs/dbraw/zinc/46/61/37/1064466137.db2.gz QITGFTNYZORFLI-FPOVZHCZSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291862843 1064473198 /nfs/dbraw/zinc/47/31/98/1064473198.db2.gz MDYCVLYNFPHJDY-RQNQAMLKSA-N 1 1 468.646 2.751 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001296233027 1064473283 /nfs/dbraw/zinc/47/32/83/1064473283.db2.gz LGUSEEIALXLHSN-IFMALSPDSA-N 1 1 468.646 2.963 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001296233343 1064475746 /nfs/dbraw/zinc/47/57/46/1064475746.db2.gz UWARJKBMLAMRFN-UHFFFAOYSA-N 1 1 478.645 2.780 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864426 1064476604 /nfs/dbraw/zinc/47/66/04/1064476604.db2.gz UIRXTGAPRVCONG-QPPBQGQZSA-N 1 1 481.689 2.808 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001296234898 1064481407 /nfs/dbraw/zinc/48/14/07/1064481407.db2.gz UEUWDHWKSUXEFY-UXHICEINSA-N 1 1 470.666 2.932 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881931 1064504469 /nfs/dbraw/zinc/50/44/69/1064504469.db2.gz ZGYAAYZTYBXINY-GMAHTHKFSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881931 1064504486 /nfs/dbraw/zinc/50/44/86/1064504486.db2.gz ZGYAAYZTYBXINY-GMAHTHKFSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881931 1064504501 /nfs/dbraw/zinc/50/45/01/1064504501.db2.gz ZGYAAYZTYBXINY-GMAHTHKFSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001291887987 1064510824 /nfs/dbraw/zinc/51/08/24/1064510824.db2.gz MCJMILUXFMDWGP-DENIHFKCSA-N 1 1 474.675 2.774 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889143 1064513614 /nfs/dbraw/zinc/51/36/14/1064513614.db2.gz RNCJWXFTAHKRRG-TVZXLZGTSA-N 1 1 468.646 2.724 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890186 1064515369 /nfs/dbraw/zinc/51/53/69/1064515369.db2.gz VLYSRBBSOWUXQM-VWLOTQADSA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291890160 1064515898 /nfs/dbraw/zinc/51/58/98/1064515898.db2.gz BACHBDDYNNSDNV-VWNXMTODSA-N 1 1 481.689 2.762 20 0 JFADMO CC[C@@H](c1nnc(N2CCNC(=O)[C@@H]2CC)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001291892733 1064520585 /nfs/dbraw/zinc/52/05/85/1064520585.db2.gz HJHPQEQYMDLVNR-RPWUZVMVSA-N 1 1 481.689 2.808 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291895409 1064526405 /nfs/dbraw/zinc/52/64/05/1064526405.db2.gz VWNSDLJYUDDEPY-DNRBGDKYSA-N 1 1 471.646 2.907 20 0 JFADMO CCNC(=O)C1(Cn2c(-c3ccc(C)o3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCC1 ZINC001296260719 1064526687 /nfs/dbraw/zinc/52/66/87/1064526687.db2.gz SYXHXVBDRJFMCY-UHFFFAOYSA-N 1 1 472.634 2.948 20 0 JFADMO CC[C@@H](c1nnc(N2CCNC(=O)CC2)n1CCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291898677 1064529696 /nfs/dbraw/zinc/52/96/96/1064529696.db2.gz HRJCQAFWJFKCIL-HSZRJFAPSA-N 1 1 467.662 2.564 20 0 JFADMO COCc1nc2sc(C(=O)NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c(C)c2c(OC)n1 ZINC001296269385 1064536392 /nfs/dbraw/zinc/53/63/92/1064536392.db2.gz VMCNEPDXUMVMER-QGZVFWFLSA-N 1 1 456.568 2.651 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC001296273767 1064542807 /nfs/dbraw/zinc/54/28/07/1064542807.db2.gz OWBHSNACMKUVSH-DENIHFKCSA-N 1 1 468.646 2.822 20 0 JFADMO COc1ccc(S(=O)(=O)CCC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1OC ZINC001291927684 1064546950 /nfs/dbraw/zinc/54/69/50/1064546950.db2.gz BBZYAGAVHQVSPL-UHFFFAOYSA-N 1 1 452.617 2.982 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC001296277736 1064547454 /nfs/dbraw/zinc/54/74/54/1064547454.db2.gz JPFMQSLETJNKQK-AVRDEDQJSA-N 1 1 481.645 2.667 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291930841 1064548320 /nfs/dbraw/zinc/54/83/20/1064548320.db2.gz DQINTZZZYSDXLE-WWNPGLIZSA-N 1 1 490.693 2.756 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279790 1064549836 /nfs/dbraw/zinc/54/98/36/1064549836.db2.gz HJKOTQFNUCEAKS-BJKOFHAPSA-N 1 1 451.567 2.918 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279791 1064550177 /nfs/dbraw/zinc/55/01/77/1064550177.db2.gz HJKOTQFNUCEAKS-DNQXCXABSA-N 1 1 451.567 2.918 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001291933863 1064552855 /nfs/dbraw/zinc/55/28/55/1064552855.db2.gz JVBPADYSJPHGFH-PXNSSMCTSA-N 1 1 462.664 2.996 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001291934854 1064554002 /nfs/dbraw/zinc/55/40/02/1064554002.db2.gz YSCHNGQTIPIYEO-FQEVSTJZSA-N 1 1 489.690 2.582 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC001296283103 1064554816 /nfs/dbraw/zinc/55/48/16/1064554816.db2.gz UCGLXDZTDPZPCR-SIKLNZKXSA-N 1 1 468.646 2.822 20 0 JFADMO C[NH+]1CCN([C@H](C(=O)Nc2ccc(I)cc2O)c2ccccc2)CC1 ZINC001296283971 1064555962 /nfs/dbraw/zinc/55/59/62/1064555962.db2.gz UAXHWICAAMGGCI-SFHVURJKSA-N 1 1 451.308 2.924 20 0 JFADMO CCC(CC)(Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291941612 1064557350 /nfs/dbraw/zinc/55/73/50/1064557350.db2.gz TZFLHEHPEKXMNP-BPYKYCOYSA-N 1 1 479.666 2.681 20 0 JFADMO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291945578 1064560390 /nfs/dbraw/zinc/56/03/90/1064560390.db2.gz MIPQXQPCXAXSDN-IPJJNNNSSA-N 1 1 459.612 2.643 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291950781 1064562108 /nfs/dbraw/zinc/56/21/08/1064562108.db2.gz FDGPOWMMUMYBBW-PXDATVDWSA-N 1 1 476.666 2.656 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001291951853 1064564050 /nfs/dbraw/zinc/56/40/50/1064564050.db2.gz HTUATNALKIIUDT-DHIUTWEWSA-N 1 1 490.693 2.806 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001296289395 1064564912 /nfs/dbraw/zinc/56/49/12/1064564912.db2.gz SSVDFKHQXPFCLA-UHFFFAOYSA-N 1 1 462.042 2.587 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CCCCn2cc[nH+]c2C)CC1 ZINC001296289619 1064565221 /nfs/dbraw/zinc/56/52/21/1064565221.db2.gz UJPRSLBRRVPCGI-UHFFFAOYSA-N 1 1 485.036 2.842 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001296303081 1064583234 /nfs/dbraw/zinc/58/32/34/1064583234.db2.gz ZBFSKGVGPSQDKA-RBUKOAKNSA-N 1 1 473.597 2.893 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001296307855 1064588879 /nfs/dbraw/zinc/58/88/79/1064588879.db2.gz QDVXCYUOOFORQF-HXUWFJFHSA-N 1 1 485.633 2.688 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312218 1064592335 /nfs/dbraw/zinc/59/23/35/1064592335.db2.gz VMQIRMCDRQLPLR-WOJBJXKFSA-N 1 1 469.634 2.926 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC001291976761 1064592851 /nfs/dbraw/zinc/59/28/51/1064592851.db2.gz IUCLTKLRDMJNGY-XYJFISCASA-N 1 1 479.651 2.501 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC001291976755 1064592899 /nfs/dbraw/zinc/59/28/99/1064592899.db2.gz IUCLTKLRDMJNGY-BQFCYCMXSA-N 1 1 479.651 2.501 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001296316486 1064597503 /nfs/dbraw/zinc/59/75/03/1064597503.db2.gz YNBZHHWKKNAMKU-KRWDZBQOSA-N 1 1 463.577 2.729 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296316388 1064597560 /nfs/dbraw/zinc/59/75/60/1064597560.db2.gz WTAGHZHWFDYTJF-UNMCSNQZSA-N 1 1 453.635 2.993 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CC1 ZINC001291985614 1064597541 /nfs/dbraw/zinc/59/75/41/1064597541.db2.gz BMIWLTNHKRSLDK-NRFANRHFSA-N 1 1 454.619 2.822 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001296317349 1064599147 /nfs/dbraw/zinc/59/91/47/1064599147.db2.gz MTERNOIPNGUBEV-UHFFFAOYSA-N 1 1 459.664 2.904 20 0 JFADMO Cc1cc(=O)c(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001296323245 1064605864 /nfs/dbraw/zinc/60/58/64/1064605864.db2.gz NYTJDFYNJNOYNW-MRXNPFEDSA-N 1 1 452.477 2.790 20 0 JFADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001296328312 1064623299 /nfs/dbraw/zinc/62/32/99/1064623299.db2.gz BAZLFRCMJGXYDB-UWJYYQICSA-N 1 1 460.648 2.508 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)CCOCC1 ZINC001292007140 1064626713 /nfs/dbraw/zinc/62/67/13/1064626713.db2.gz MOUCXJVABUBNIM-KDURUIRLSA-N 1 1 464.655 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C)CCOCC1 ZINC001292007140 1064626723 /nfs/dbraw/zinc/62/67/23/1064626723.db2.gz MOUCXJVABUBNIM-KDURUIRLSA-N 1 1 464.655 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1sc(C)nc1C ZINC001292007277 1064627550 /nfs/dbraw/zinc/62/75/50/1064627550.db2.gz COIMFLYMTIBWDY-IYBDPMFKSA-N 1 1 477.679 2.864 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1sc(C)nc1C ZINC001292007277 1064627555 /nfs/dbraw/zinc/62/75/55/1064627555.db2.gz COIMFLYMTIBWDY-IYBDPMFKSA-N 1 1 477.679 2.864 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001292008665 1064630428 /nfs/dbraw/zinc/63/04/28/1064630428.db2.gz CKVNNWMNSKOXGP-VWLOTQADSA-N 1 1 467.618 2.771 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001292013866 1064642857 /nfs/dbraw/zinc/64/28/57/1064642857.db2.gz NYAPIXLIPCDOGK-CEMLEFRQSA-N 1 1 487.693 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001292017847 1064651576 /nfs/dbraw/zinc/65/15/76/1064651576.db2.gz MXIXMZFNGSPKIM-HTAPYJJXSA-N 1 1 490.599 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cc(F)cc(OC)c1 ZINC001292018050 1064652443 /nfs/dbraw/zinc/65/24/43/1064652443.db2.gz OMOUSTNQTCNTOW-VGOFRKELSA-N 1 1 488.608 2.549 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020473 1064659443 /nfs/dbraw/zinc/65/94/43/1064659443.db2.gz HQSKIWUHQLYHIC-ROUUACIJSA-N 1 1 487.624 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292024743 1064674080 /nfs/dbraw/zinc/67/40/80/1064674080.db2.gz SZEJFHJXAUUXTK-RXFWQSSRSA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@](C)(O)c1ccccc1 ZINC001292030073 1064686036 /nfs/dbraw/zinc/68/60/36/1064686036.db2.gz LHTISLVYFQADCA-CTIGNXTNSA-N 1 1 454.619 2.777 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030096 1064686101 /nfs/dbraw/zinc/68/61/01/1064686101.db2.gz LTKCRQLVYVCIPL-CTNGQTDRSA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030099 1064687031 /nfs/dbraw/zinc/68/70/31/1064687031.db2.gz LTKCRQLVYVCIPL-TZIWHRDSSA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@H](C)c1c(C)noc1C ZINC001292040825 1064705467 /nfs/dbraw/zinc/70/54/67/1064705467.db2.gz IFSBLRDHFXYJMW-SSOJOUAXSA-N 1 1 487.649 2.906 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001292042831 1064708459 /nfs/dbraw/zinc/70/84/59/1064708459.db2.gz XDBWKGFLPUNROT-HHHXNRCGSA-N 1 1 497.688 2.806 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(OC)c(F)c1 ZINC001292054768 1064721534 /nfs/dbraw/zinc/72/15/34/1064721534.db2.gz IZBAEYBQPTWCFK-IBGZPJMESA-N 1 1 488.608 2.551 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(F)c(C)c1 ZINC001292055682 1064724473 /nfs/dbraw/zinc/72/44/73/1064724473.db2.gz UEMSHWHDKCUWDT-FQEVSTJZSA-N 1 1 472.609 2.851 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001292062996 1064735136 /nfs/dbraw/zinc/73/51/36/1064735136.db2.gz KGMBYSSXSOKXCK-PKOBYXMFSA-N 1 1 489.665 2.784 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292067712 1064747289 /nfs/dbraw/zinc/74/72/89/1064747289.db2.gz XYIBOLNMDITALB-MRXNPFEDSA-N 1 1 460.545 2.574 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072394 1064751296 /nfs/dbraw/zinc/75/12/96/1064751296.db2.gz RALXRFIMTJUAOG-JLCFBVMHSA-N 1 1 452.958 2.873 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001292079361 1064762691 /nfs/dbraw/zinc/76/26/91/1064762691.db2.gz REKARVMYGYCPPI-HOJAQTOUSA-N 1 1 476.622 2.679 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCOCC1 ZINC001292086658 1064769718 /nfs/dbraw/zinc/76/97/18/1064769718.db2.gz UYFDODZWGVXAKJ-MRXNPFEDSA-N 1 1 460.545 2.698 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292094957 1064786043 /nfs/dbraw/zinc/78/60/43/1064786043.db2.gz RNDRPJHKISZUJJ-FUHWJXTLSA-N 1 1 458.611 2.756 20 0 JFADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292097932 1064789130 /nfs/dbraw/zinc/78/91/30/1064789130.db2.gz OBLWJFSYWBKBHT-WSTZPKSXSA-N 1 1 454.656 2.915 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001292101933 1064792552 /nfs/dbraw/zinc/79/25/52/1064792552.db2.gz SRVCLTDYVIBGHT-NHCUHLMSSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001292101933 1064792566 /nfs/dbraw/zinc/79/25/66/1064792566.db2.gz SRVCLTDYVIBGHT-NHCUHLMSSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCc1scnc1C ZINC001292105471 1064799002 /nfs/dbraw/zinc/79/90/02/1064799002.db2.gz LGZWHLQHQQDWMI-UHFFFAOYSA-N 1 1 499.689 2.650 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001292105622 1064799542 /nfs/dbraw/zinc/79/95/42/1064799542.db2.gz NMODNNUUDASXQX-LJQANCHMSA-N 1 1 462.639 2.660 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001292105817 1064800510 /nfs/dbraw/zinc/80/05/10/1064800510.db2.gz PJNZXKDSILFMMN-SANMLTNESA-N 1 1 499.635 2.526 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001292109205 1064806883 /nfs/dbraw/zinc/80/68/83/1064806883.db2.gz GESBKPPTSXHQBK-GGAORHGYSA-N 1 1 489.709 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292110186 1064810803 /nfs/dbraw/zinc/81/08/03/1064810803.db2.gz ORZZBLDENJHHIO-IBGZPJMESA-N 1 1 487.649 2.787 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC1(C)CCOCC1 ZINC001292110445 1064813602 /nfs/dbraw/zinc/81/36/02/1064813602.db2.gz RIXJYCNZEKHBDP-HXUWFJFHSA-N 1 1 476.666 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCc1c(C)noc1C ZINC001292110519 1064814209 /nfs/dbraw/zinc/81/42/09/1064814209.db2.gz SMBUCAIYKJMRPG-HXUWFJFHSA-N 1 1 487.649 2.593 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292110868 1064817639 /nfs/dbraw/zinc/81/76/39/1064817639.db2.gz OCVGFBJHNKSRBE-JOCHJYFZSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001292117132 1064842071 /nfs/dbraw/zinc/84/20/71/1064842071.db2.gz XIOXNTAURGGITR-UHFFFAOYSA-N 1 1 489.665 2.711 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292117225 1064842576 /nfs/dbraw/zinc/84/25/76/1064842576.db2.gz ZGMBEBWJUSSLQI-FQEVSTJZSA-N 1 1 483.661 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292117600 1064844327 /nfs/dbraw/zinc/84/43/27/1064844327.db2.gz MWLICTXWWQPQMM-FQEVSTJZSA-N 1 1 483.661 2.621 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cnn(C)c1C ZINC001292123466 1064861674 /nfs/dbraw/zinc/86/16/74/1064861674.db2.gz FEIXGZBYEIYPLW-LJQANCHMSA-N 1 1 478.645 2.997 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H]1C[C@@H]1C ZINC001292124119 1064864543 /nfs/dbraw/zinc/86/45/43/1064864543.db2.gz LIEFLXMEIKOUMY-VCOUNFBDSA-N 1 1 454.619 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1Cc1nc(C)cs1 ZINC001292124159 1064865234 /nfs/dbraw/zinc/86/52/34/1064865234.db2.gz LSAGKEWLRZCWBT-NRFANRHFSA-N 1 1 497.669 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCC1(O)CCC1 ZINC001292125678 1064869764 /nfs/dbraw/zinc/86/97/64/1064869764.db2.gz CWPSFWHDJQTRHQ-UHFFFAOYSA-N 1 1 460.648 2.885 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292125761 1064871607 /nfs/dbraw/zinc/87/16/07/1064871607.db2.gz LMLNPHWUIHSJQT-WOJBJXKFSA-N 1 1 475.682 2.622 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1ccsc1 ZINC001292126120 1064873684 /nfs/dbraw/zinc/87/36/84/1064873684.db2.gz HJWSJWCRJFTJOU-HXUWFJFHSA-N 1 1 460.648 2.802 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1cccs1 ZINC001292126391 1064875063 /nfs/dbraw/zinc/87/50/63/1064875063.db2.gz OHCDIUSPNBYDFP-QGZVFWFLSA-N 1 1 460.648 2.996 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001292126249 1064875206 /nfs/dbraw/zinc/87/52/06/1064875206.db2.gz ZWHGJBKGWNJFEP-HNNXBMFYSA-N 1 1 465.549 2.772 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccn(CC)c1=O ZINC001292126688 1064876894 /nfs/dbraw/zinc/87/68/94/1064876894.db2.gz SDUWEOPXJQFUFF-IBGZPJMESA-N 1 1 483.661 2.737 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1sc(C)nc1C ZINC001292126876 1064878493 /nfs/dbraw/zinc/87/84/93/1064878493.db2.gz QYBCVEBXONBOLP-LJQANCHMSA-N 1 1 475.663 2.619 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccccc1C ZINC001292127058 1064879851 /nfs/dbraw/zinc/87/98/51/1064879851.db2.gz UMVQZYLJKMCTLC-QFIPXVFZSA-N 1 1 454.619 2.854 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)SC ZINC001292127143 1064880524 /nfs/dbraw/zinc/88/05/24/1064880524.db2.gz XULVLHVXDHTEGY-SJORKVTESA-N 1 1 452.669 2.638 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001292134122 1064892024 /nfs/dbraw/zinc/89/20/24/1064892024.db2.gz OFWAXWXRHSSBOC-WOJBJXKFSA-N 1 1 485.633 2.732 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCc1ccc(C)cc1C ZINC001292134357 1064894005 /nfs/dbraw/zinc/89/40/05/1064894005.db2.gz SGIIABVHMNMYTA-JOCHJYFZSA-N 1 1 454.619 2.577 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCc1ccc(C)cc1C ZINC001292134357 1064894017 /nfs/dbraw/zinc/89/40/17/1064894017.db2.gz SGIIABVHMNMYTA-JOCHJYFZSA-N 1 1 454.619 2.577 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@@H](OC)C(F)(F)F ZINC001292134535 1064894739 /nfs/dbraw/zinc/89/47/39/1064894739.db2.gz SZTJFHFWRZJJHX-IAGOWNOFSA-N 1 1 460.545 2.838 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292154513 1064934702 /nfs/dbraw/zinc/93/47/02/1064934702.db2.gz DBKBYBDBYXPGNZ-GSEOLPGOSA-N 1 1 458.607 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292160948 1064944838 /nfs/dbraw/zinc/94/48/38/1064944838.db2.gz WSXQELOEYWBLKB-OAQYLSRUSA-N 1 1 480.617 2.965 20 0 JFADMO CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292160947 1064944877 /nfs/dbraw/zinc/94/48/77/1064944877.db2.gz WSXQELOEYWBLKB-NRFANRHFSA-N 1 1 480.617 2.965 20 0 JFADMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccccc3OCCN3CCOCC3)CC2)cs1 ZINC001292182954 1064973174 /nfs/dbraw/zinc/97/31/74/1064973174.db2.gz MLMBZXLRIJZBEF-UHFFFAOYSA-N 1 1 458.628 2.691 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208059 1064997000 /nfs/dbraw/zinc/99/70/00/1064997000.db2.gz AXDZAZILXLAVOW-GMAHTHKFSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208059 1064997007 /nfs/dbraw/zinc/99/70/07/1064997007.db2.gz AXDZAZILXLAVOW-GMAHTHKFSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001292242383 1065024831 /nfs/dbraw/zinc/02/48/31/1065024831.db2.gz JWFRYEKMMDKTNO-RUZDIDTESA-N 1 1 483.705 2.988 20 0 JFADMO CC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001292242383 1065024844 /nfs/dbraw/zinc/02/48/44/1065024844.db2.gz JWFRYEKMMDKTNO-RUZDIDTESA-N 1 1 483.705 2.988 20 0 JFADMO CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001292268218 1065048260 /nfs/dbraw/zinc/04/82/60/1065048260.db2.gz QKZKOIIGHNEEID-UHFFFAOYSA-N 1 1 457.623 2.884 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001292275896 1065052766 /nfs/dbraw/zinc/05/27/66/1065052766.db2.gz WJVBHIRZTBTSPR-QGZVFWFLSA-N 1 1 494.434 2.788 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001292275896 1065052773 /nfs/dbraw/zinc/05/27/73/1065052773.db2.gz WJVBHIRZTBTSPR-QGZVFWFLSA-N 1 1 494.434 2.788 20 0 JFADMO CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292280772 1065055654 /nfs/dbraw/zinc/05/56/54/1065055654.db2.gz YRVWKLPIOPCKIF-LEWJYISDSA-N 1 1 454.619 2.881 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)O1 ZINC001292314943 1065082291 /nfs/dbraw/zinc/08/22/91/1065082291.db2.gz WLZJQJUXFLVLFK-FXWJEBAPSA-N 1 1 460.667 2.912 20 0 JFADMO CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001292315811 1065082735 /nfs/dbraw/zinc/08/27/35/1065082735.db2.gz AMDSLOSPAAMQQD-SQJMNOBHSA-N 1 1 454.619 2.658 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001292332291 1065088482 /nfs/dbraw/zinc/08/84/82/1065088482.db2.gz RHPMOUKFVOPDLF-YZUZCNPQSA-N 1 1 496.722 2.892 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001292369262 1065111471 /nfs/dbraw/zinc/11/14/71/1065111471.db2.gz NKQGPONCDOOLSG-CYFREDJKSA-N 1 1 490.674 2.632 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001292377468 1065120147 /nfs/dbraw/zinc/12/01/47/1065120147.db2.gz ZTFCCAHXBQKAFR-QQQKFWQGSA-N 1 1 479.666 2.895 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)cc2)CC1 ZINC001292391440 1065130440 /nfs/dbraw/zinc/13/04/40/1065130440.db2.gz LXDYNICDDQULJL-FQEVSTJZSA-N 1 1 455.603 2.767 20 0 JFADMO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001292413980 1065148466 /nfs/dbraw/zinc/14/84/66/1065148466.db2.gz PNRGOSQXHNTZEJ-ONTIZHBOSA-N 1 1 476.666 2.571 20 0 JFADMO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC001292439570 1065167417 /nfs/dbraw/zinc/16/74/17/1065167417.db2.gz HDQSRSGSKCQJGA-UHFFFAOYSA-N 1 1 453.388 2.742 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292458988 1065183727 /nfs/dbraw/zinc/18/37/27/1065183727.db2.gz UCYMVOFZIILITF-JOCHJYFZSA-N 1 1 456.635 2.825 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292460575 1065189150 /nfs/dbraw/zinc/18/91/50/1065189150.db2.gz IXHTWRQWCTVJKI-FKBYEOEOSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292472395 1065198441 /nfs/dbraw/zinc/19/84/41/1065198441.db2.gz XFSJFXHDQHGEBQ-LJQANCHMSA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001292488931 1065210628 /nfs/dbraw/zinc/21/06/28/1065210628.db2.gz UXDNFIUJXFNMTB-CLOONOSVSA-N 1 1 454.619 2.710 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC001292516467 1065237392 /nfs/dbraw/zinc/23/73/92/1065237392.db2.gz SRQVHZLSGSCTNH-XZOQPEGZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@H](C)CC)CC3)n2C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC001292518156 1065241369 /nfs/dbraw/zinc/24/13/69/1065241369.db2.gz OBBNZVDKLDWICR-FYYLOGMGSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001292520422 1065244885 /nfs/dbraw/zinc/24/48/85/1065244885.db2.gz ITYYICUHQSNDGT-UHFFFAOYSA-N 1 1 452.607 2.671 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292524092 1065248698 /nfs/dbraw/zinc/24/86/98/1065248698.db2.gz AMEHTSZTIATVDH-SIKLNZKXSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCC[N@@H+](C)CCOC)cc1 ZINC001292528150 1065254252 /nfs/dbraw/zinc/25/42/52/1065254252.db2.gz PMFOBHFKYGTWOY-NLFFAJNJSA-N 1 1 457.619 2.860 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCC[N@@H+](C)CCOC)cc1 ZINC001292528146 1065254297 /nfs/dbraw/zinc/25/42/97/1065254297.db2.gz PMFOBHFKYGTWOY-CJFMBICVSA-N 1 1 457.619 2.860 20 0 JFADMO CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292542992 1065264867 /nfs/dbraw/zinc/26/48/67/1065264867.db2.gz ZNQDIGKAZDVBEZ-XZOQPEGZSA-N 1 1 468.646 2.924 20 0 JFADMO CCc1ccc(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC001292552230 1065270120 /nfs/dbraw/zinc/27/01/20/1065270120.db2.gz QZVKWRSLOMLNPU-WFXMLNOXSA-N 1 1 463.648 2.831 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)CC1 ZINC001292572706 1065284278 /nfs/dbraw/zinc/28/42/78/1065284278.db2.gz CXXUWOOKNGTIPO-UHFFFAOYSA-N 1 1 453.543 2.637 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292575574 1065284800 /nfs/dbraw/zinc/28/48/00/1065284800.db2.gz CACQMKXOCXSNAQ-UHFFFAOYSA-N 1 1 492.672 2.947 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292575574 1065284818 /nfs/dbraw/zinc/28/48/18/1065284818.db2.gz CACQMKXOCXSNAQ-UHFFFAOYSA-N 1 1 492.672 2.947 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292575574 1065284828 /nfs/dbraw/zinc/28/48/28/1065284828.db2.gz CACQMKXOCXSNAQ-UHFFFAOYSA-N 1 1 492.672 2.947 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001292576245 1065286629 /nfs/dbraw/zinc/28/66/29/1065286629.db2.gz WMRJUBYGZYGKGB-IBGZPJMESA-N 1 1 463.586 2.698 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292579390 1065293860 /nfs/dbraw/zinc/29/38/60/1065293860.db2.gz UQQIPUPEUXECFV-IFMALSPDSA-N 1 1 484.645 2.920 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292579693 1065295867 /nfs/dbraw/zinc/29/58/67/1065295867.db2.gz XURACDLEMRKOBH-RBBKRZOGSA-N 1 1 484.645 2.778 20 0 JFADMO CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC001292584421 1065300275 /nfs/dbraw/zinc/30/02/75/1065300275.db2.gz IFFGLYBYPSIHSF-UHFFFAOYSA-N 1 1 456.568 2.656 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001292590015 1065306943 /nfs/dbraw/zinc/30/69/43/1065306943.db2.gz JMOODDZPFPJTNG-NNPDTBDGSA-N 1 1 456.587 2.970 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC(C)(C)O ZINC001292592237 1065310664 /nfs/dbraw/zinc/31/06/64/1065310664.db2.gz WBEZADJBTPMMFW-CTNGQTDRSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292604434 1065329407 /nfs/dbraw/zinc/32/94/07/1065329407.db2.gz UUKIPRHTACOOGM-WOJBJXKFSA-N 1 1 454.619 2.853 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292609575 1065336009 /nfs/dbraw/zinc/33/60/09/1065336009.db2.gz DTQCXHWDNRPBTJ-FQEVSTJZSA-N 1 1 454.619 2.818 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCn1cc[nH+]c1C ZINC001292614116 1065341992 /nfs/dbraw/zinc/34/19/92/1065341992.db2.gz BNQNUDLMRHUODR-UHFFFAOYSA-N 1 1 465.602 2.929 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292615047 1065346945 /nfs/dbraw/zinc/34/69/45/1065346945.db2.gz QRMPPRAVNCZTBH-JOCHJYFZSA-N 1 1 498.672 2.977 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292619888 1065356590 /nfs/dbraw/zinc/35/65/90/1065356590.db2.gz RANWDDAPWNIKEC-PUHATCMVSA-N 1 1 498.672 2.569 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292620236 1065357351 /nfs/dbraw/zinc/35/73/51/1065357351.db2.gz ZYBGWZWKERMSPS-FQEVSTJZSA-N 1 1 475.659 2.775 20 0 JFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001292641947 1065377454 /nfs/dbraw/zinc/37/74/54/1065377454.db2.gz MSFLYERJCUYHHJ-OPAMFIHVSA-N 1 1 452.983 2.791 20 0 JFADMO CCc1cnc(CN(C)c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001292645809 1065380856 /nfs/dbraw/zinc/38/08/56/1065380856.db2.gz UNUDKZYUFHNKAH-DEOSSOPVSA-N 1 1 470.643 2.794 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC001292660055 1065395314 /nfs/dbraw/zinc/39/53/14/1065395314.db2.gz JWYQMIMSKFXXNH-GASCZTMLSA-N 1 1 457.356 2.627 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC001292660240 1065395938 /nfs/dbraw/zinc/39/59/38/1065395938.db2.gz FETUBQXOPOWGTB-HDICACEKSA-N 1 1 454.537 2.971 20 0 JFADMO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)o1 ZINC001292678060 1065417026 /nfs/dbraw/zinc/41/70/26/1065417026.db2.gz CBHMWGUYGTUHFO-HZPDHXFCSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cccnc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001292729870 1065492605 /nfs/dbraw/zinc/49/26/05/1065492605.db2.gz YJSSXHQLFPDLNI-FQEVSTJZSA-N 1 1 482.658 2.938 20 0 JFADMO CCc1nc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)cs1 ZINC001292738545 1065500116 /nfs/dbraw/zinc/50/01/16/1065500116.db2.gz KXMTVXRIFQQADR-HSZRJFAPSA-N 1 1 475.663 2.565 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001292756749 1065513163 /nfs/dbraw/zinc/51/31/63/1065513163.db2.gz NUVLHXJLEOHWSX-UHFFFAOYSA-N 1 1 472.682 2.689 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(C(C)C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001292756749 1065513175 /nfs/dbraw/zinc/51/31/75/1065513175.db2.gz NUVLHXJLEOHWSX-UHFFFAOYSA-N 1 1 472.682 2.689 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292813642 1065563656 /nfs/dbraw/zinc/56/36/56/1065563656.db2.gz MWIDNTHDBYUMQN-JOCHJYFZSA-N 1 1 481.689 2.855 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001292864619 1065579244 /nfs/dbraw/zinc/57/92/44/1065579244.db2.gz RRUVGQYJGSVLDR-HSALFYBXSA-N 1 1 462.664 2.521 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1cccs1)N1CCOCC1 ZINC001292864619 1065579259 /nfs/dbraw/zinc/57/92/59/1065579259.db2.gz RRUVGQYJGSVLDR-HSALFYBXSA-N 1 1 462.664 2.521 20 0 JFADMO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292888136 1065585430 /nfs/dbraw/zinc/58/54/30/1065585430.db2.gz FPUSKQSEHWQRLA-MRXNPFEDSA-N 1 1 485.496 2.689 20 0 JFADMO O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001292888804 1065586233 /nfs/dbraw/zinc/58/62/33/1065586233.db2.gz PGKQRUXNZKRQNA-NHCUHLMSSA-N 1 1 461.653 2.799 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292892226 1065589230 /nfs/dbraw/zinc/58/92/30/1065589230.db2.gz AYZUGLYUNCJEFX-VAPDBKPJSA-N 1 1 468.646 2.517 20 0 JFADMO NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001292896097 1065596767 /nfs/dbraw/zinc/59/67/67/1065596767.db2.gz FDWQUPXTJLMKJT-SFHVURJKSA-N 1 1 451.976 2.537 20 0 JFADMO NS(=O)(=O)c1ccc(OCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001292896097 1065596778 /nfs/dbraw/zinc/59/67/78/1065596778.db2.gz FDWQUPXTJLMKJT-SFHVURJKSA-N 1 1 451.976 2.537 20 0 JFADMO CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292914975 1065604466 /nfs/dbraw/zinc/60/44/66/1065604466.db2.gz AUKNDPXTVUWTTC-JOCHJYFZSA-N 1 1 452.603 2.783 20 0 JFADMO CCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292923421 1065611238 /nfs/dbraw/zinc/61/12/38/1065611238.db2.gz PXURIOLNIFFKLG-UHFFFAOYSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292923421 1065611242 /nfs/dbraw/zinc/61/12/42/1065611242.db2.gz PXURIOLNIFFKLG-UHFFFAOYSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292924224 1065614845 /nfs/dbraw/zinc/61/48/45/1065614845.db2.gz SXSVKHDEOSPHAB-OAQYLSRUSA-N 1 1 473.710 2.589 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292924805 1065617519 /nfs/dbraw/zinc/61/75/19/1065617519.db2.gz QXSNNFNRZHLZIS-NRFANRHFSA-N 1 1 499.679 2.786 20 0 JFADMO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292934150 1065623995 /nfs/dbraw/zinc/62/39/95/1065623995.db2.gz LFLBHCAZVXXWMH-HSZRJFAPSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292934150 1065624003 /nfs/dbraw/zinc/62/40/03/1065624003.db2.gz LFLBHCAZVXXWMH-HSZRJFAPSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292934150 1065624012 /nfs/dbraw/zinc/62/40/12/1065624012.db2.gz LFLBHCAZVXXWMH-HSZRJFAPSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001292951619 1065631346 /nfs/dbraw/zinc/63/13/46/1065631346.db2.gz JZJOMFSAKHJXKO-PXDATVDWSA-N 1 1 460.667 2.959 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1cc(F)ccc1OC ZINC001292952717 1065632842 /nfs/dbraw/zinc/63/28/42/1065632842.db2.gz VLPJUQUADQIPFQ-UHFFFAOYSA-N 1 1 472.609 2.807 20 0 JFADMO CCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292961243 1065642171 /nfs/dbraw/zinc/64/21/71/1065642171.db2.gz BZOKOCGVUKTFDN-OTWHNJEPSA-N 1 1 450.628 2.691 20 0 JFADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001292965801 1065645897 /nfs/dbraw/zinc/64/58/97/1065645897.db2.gz GRIWYKJKGCKXMX-SANMLTNESA-N 1 1 452.643 2.913 20 0 JFADMO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001292965800 1065645932 /nfs/dbraw/zinc/64/59/32/1065645932.db2.gz GRIWYKJKGCKXMX-AREMUKBSSA-N 1 1 452.643 2.913 20 0 JFADMO CCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292971648 1065653260 /nfs/dbraw/zinc/65/32/60/1065653260.db2.gz ZZWVCMWHQCWUFI-CEXWTWQISA-N 1 1 450.628 2.785 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292980199 1065663833 /nfs/dbraw/zinc/66/38/33/1065663833.db2.gz MQNTXCINQIYNSN-QFIPXVFZSA-N 1 1 486.640 2.654 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292980744 1065665116 /nfs/dbraw/zinc/66/51/16/1065665116.db2.gz YXNICFCRISVWQR-SFTDATJTSA-N 1 1 473.597 2.617 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001292981082 1065665198 /nfs/dbraw/zinc/66/51/98/1065665198.db2.gz CAJRIMNQTONWGF-YADHBBJMSA-N 1 1 484.645 2.949 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001292981078 1065665249 /nfs/dbraw/zinc/66/52/49/1065665249.db2.gz CAJRIMNQTONWGF-FGZHOGPDSA-N 1 1 484.645 2.949 20 0 JFADMO O=C(C[N@H+]1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC1)N1CCCC1 ZINC001292986686 1065672503 /nfs/dbraw/zinc/67/25/03/1065672503.db2.gz NSVJOJYIEOZKGB-UHFFFAOYSA-N 1 1 450.461 2.730 20 0 JFADMO O=C(C[N@@H+]1CCCN(C(=O)c2cc3cccc(C(F)(F)F)c3[nH]c2=O)CC1)N1CCCC1 ZINC001292986686 1065672508 /nfs/dbraw/zinc/67/25/08/1065672508.db2.gz NSVJOJYIEOZKGB-UHFFFAOYSA-N 1 1 450.461 2.730 20 0 JFADMO CCc1nnc(N2CCC(S(=O)(=O)CC)CC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001292993653 1065681358 /nfs/dbraw/zinc/68/13/58/1065681358.db2.gz GDGMTJHKYLKAPJ-UHFFFAOYSA-N 1 1 460.579 2.926 20 0 JFADMO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001292993646 1065681401 /nfs/dbraw/zinc/68/14/01/1065681401.db2.gz FZTJVGLELJCVPW-OYRHEFFESA-N 1 1 462.683 2.810 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001293039943 1065707806 /nfs/dbraw/zinc/70/78/06/1065707806.db2.gz CIVBAZJGMRPCOQ-FGZHOGPDSA-N 1 1 484.645 2.949 20 0 JFADMO CCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293044598 1065709307 /nfs/dbraw/zinc/70/93/07/1065709307.db2.gz MKNZNLFGGIXJCG-FQEVSTJZSA-N 1 1 481.567 2.996 20 0 JFADMO CCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001293066340 1065717722 /nfs/dbraw/zinc/71/77/22/1065717722.db2.gz ILHUMQUSGCNSIT-UHFFFAOYSA-N 1 1 466.677 2.644 20 0 JFADMO CCc1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001293068591 1065721301 /nfs/dbraw/zinc/72/13/01/1065721301.db2.gz JOEQTGIZCJRRQL-OAQYLSRUSA-N 1 1 454.619 2.962 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001293069113 1065722202 /nfs/dbraw/zinc/72/22/02/1065722202.db2.gz QIXWBOMVNTZWPU-OAQYLSRUSA-N 1 1 462.589 2.909 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293076765 1065727962 /nfs/dbraw/zinc/72/79/62/1065727962.db2.gz ASDSHHRIINAONK-OAQYLSRUSA-N 1 1 454.619 2.612 20 0 JFADMO CCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293082892 1065732845 /nfs/dbraw/zinc/73/28/45/1065732845.db2.gz AMEBPPHSBKLXOY-SZPZYZBQSA-N 1 1 482.673 2.928 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293093083 1065741315 /nfs/dbraw/zinc/74/13/15/1065741315.db2.gz QDJGHLODNWFOAQ-ZJSXRUAMSA-N 1 1 467.662 2.701 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293093732 1065742168 /nfs/dbraw/zinc/74/21/68/1065742168.db2.gz IXLNUMQSLRGZNJ-IFMALSPDSA-N 1 1 456.635 2.579 20 0 JFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(F)(F)c3ccc(Br)cc3)CC2)CC1 ZINC001293108947 1065754921 /nfs/dbraw/zinc/75/49/21/1065754921.db2.gz IPMVNSQJUPNDLE-UHFFFAOYSA-N 1 1 458.347 2.944 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293121423 1065772820 /nfs/dbraw/zinc/77/28/20/1065772820.db2.gz QYNQJSFRZCDKHW-VNXZQDSDSA-N 1 1 473.710 2.922 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCc1nc(C)c(C)s1 ZINC001293123458 1065776311 /nfs/dbraw/zinc/77/63/11/1065776311.db2.gz HMQWYMUZKXSDOE-HXUWFJFHSA-N 1 1 470.643 2.718 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1Cc1c(C)nn(C)c1C ZINC001293126861 1065778137 /nfs/dbraw/zinc/77/81/37/1065778137.db2.gz DHYVMNOBODJNAU-UHFFFAOYSA-N 1 1 453.591 2.579 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001293131829 1065784082 /nfs/dbraw/zinc/78/40/82/1065784082.db2.gz UEKBOSYCEWGHRW-FQEVSTJZSA-N 1 1 460.623 2.709 20 0 JFADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cccc(OC)c1OC ZINC001293132017 1065784671 /nfs/dbraw/zinc/78/46/71/1065784671.db2.gz TZTSVBRBIAMODM-BGYRXZFFSA-N 1 1 456.635 2.901 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293139788 1065790841 /nfs/dbraw/zinc/79/08/41/1065790841.db2.gz VKLBDCSIANOXJG-QFIPXVFZSA-N 1 1 474.675 2.613 20 0 JFADMO CCc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293178715 1065803398 /nfs/dbraw/zinc/80/33/98/1065803398.db2.gz XDKGAGWWCPARBX-FCHUYYIVSA-N 1 1 489.709 2.854 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc([C@H](C)CC)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184115 1065806746 /nfs/dbraw/zinc/80/67/46/1065806746.db2.gz CCKMZXFCVSTKCV-RTBURBONSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc([C@H](C)CC)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184115 1065806760 /nfs/dbraw/zinc/80/67/60/1065806760.db2.gz CCKMZXFCVSTKCV-RTBURBONSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)CCCOC)CC2)n1 ZINC001293207610 1065834717 /nfs/dbraw/zinc/83/47/17/1065834717.db2.gz JRHXINSHGJKDPW-UHFFFAOYSA-N 1 1 464.684 2.675 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001293208628 1065840331 /nfs/dbraw/zinc/84/03/31/1065840331.db2.gz OSOKSRDGCDUFBH-UHFFFAOYSA-N 1 1 476.695 2.718 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001293208628 1065840351 /nfs/dbraw/zinc/84/03/51/1065840351.db2.gz OSOKSRDGCDUFBH-UHFFFAOYSA-N 1 1 476.695 2.718 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293208706 1065840853 /nfs/dbraw/zinc/84/08/53/1065840853.db2.gz PTRGAQWLNFEJKQ-IBGZPJMESA-N 1 1 476.695 2.574 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293208707 1065840975 /nfs/dbraw/zinc/84/09/75/1065840975.db2.gz PTRGAQWLNFEJKQ-LJQANCHMSA-N 1 1 476.695 2.574 20 0 JFADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210950 1065846621 /nfs/dbraw/zinc/84/66/21/1065846621.db2.gz KNJWXTFHJCAZSH-CRYYWNKWSA-N 1 1 456.450 2.622 20 0 JFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210950 1065846628 /nfs/dbraw/zinc/84/66/28/1065846628.db2.gz KNJWXTFHJCAZSH-CRYYWNKWSA-N 1 1 456.450 2.622 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H]2C[C@H]21 ZINC001293215113 1065850661 /nfs/dbraw/zinc/85/06/61/1065850661.db2.gz RRVSYRJKFQLWFC-BIRZXAFVSA-N 1 1 470.614 2.549 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293216340 1065854832 /nfs/dbraw/zinc/85/48/32/1065854832.db2.gz HFRMPKJJQXIMDQ-RBBKRZOGSA-N 1 1 481.645 2.982 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293218865 1065863926 /nfs/dbraw/zinc/86/39/26/1065863926.db2.gz PWNDQMTYZPTIGE-HXAGEGRHSA-N 1 1 484.645 2.554 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293218965 1065864963 /nfs/dbraw/zinc/86/49/63/1065864963.db2.gz SQJHTKVDFICQBD-WIYYLYMNSA-N 1 1 454.619 2.678 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293227002 1065879299 /nfs/dbraw/zinc/87/92/99/1065879299.db2.gz DOWMLILRQGOGEN-NFBKMPQASA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001293227002 1065879307 /nfs/dbraw/zinc/87/93/07/1065879307.db2.gz DOWMLILRQGOGEN-NFBKMPQASA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293228242 1065882227 /nfs/dbraw/zinc/88/22/27/1065882227.db2.gz MBPRERKGZJFAQS-OFNKIYASSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001293230098 1065886577 /nfs/dbraw/zinc/88/65/77/1065886577.db2.gz YCENKUFDAZJMJE-IBGZPJMESA-N 1 1 470.618 2.799 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293240120 1065896977 /nfs/dbraw/zinc/89/69/77/1065896977.db2.gz WUDTUWDMOBUOOS-RBBKRZOGSA-N 1 1 468.646 2.960 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293250078 1065915329 /nfs/dbraw/zinc/91/53/29/1065915329.db2.gz FTGHBTREXHLSGL-WOJBJXKFSA-N 1 1 454.623 2.578 20 0 JFADMO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001293253410 1065917674 /nfs/dbraw/zinc/91/76/74/1065917674.db2.gz UNKGOLFTCAGGSY-UGKGYDQZSA-N 1 1 454.619 2.922 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255469 1065919911 /nfs/dbraw/zinc/91/99/11/1065919911.db2.gz VYRJYCAGWUUTCC-BHIYHBOVSA-N 1 1 458.603 2.539 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255469 1065919916 /nfs/dbraw/zinc/91/99/16/1065919916.db2.gz VYRJYCAGWUUTCC-BHIYHBOVSA-N 1 1 458.603 2.539 20 0 JFADMO CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001293284857 1065933061 /nfs/dbraw/zinc/93/30/61/1065933061.db2.gz ZIWAAIQVFFJHDO-NRFANRHFSA-N 1 1 457.644 2.611 20 0 JFADMO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001293287732 1065934332 /nfs/dbraw/zinc/93/43/32/1065934332.db2.gz BIIMCEDJGKGJFN-SOLBZPMBSA-N 1 1 466.677 2.948 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293321116 1065947778 /nfs/dbraw/zinc/94/77/78/1065947778.db2.gz LRVVKHGESMWJIG-CBPXPLCBSA-N 1 1 496.722 2.890 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293321117 1065947864 /nfs/dbraw/zinc/94/78/64/1065947864.db2.gz LRVVKHGESMWJIG-DXBBTUNJSA-N 1 1 496.722 2.890 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001293357834 1065963011 /nfs/dbraw/zinc/96/30/11/1065963011.db2.gz BEYHRWVTZJEBPK-SFTDATJTSA-N 1 1 496.660 2.931 20 0 JFADMO O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001293362921 1065966690 /nfs/dbraw/zinc/96/66/90/1065966690.db2.gz PQFVIOHBZLLFBH-IBGZPJMESA-N 1 1 450.377 2.516 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363046 1065966712 /nfs/dbraw/zinc/96/67/12/1065966712.db2.gz GNDXOVDKXBNWIV-OALUTQOASA-N 1 1 470.684 2.547 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001293364109 1065967839 /nfs/dbraw/zinc/96/78/39/1065967839.db2.gz CKHAIVSNFSURJX-OAQYLSRUSA-N 1 1 460.648 2.728 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001293364107 1065968003 /nfs/dbraw/zinc/96/80/03/1065968003.db2.gz CKHAIVSNFSURJX-NRFANRHFSA-N 1 1 460.648 2.728 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293365102 1065969695 /nfs/dbraw/zinc/96/96/95/1065969695.db2.gz JTABOKKVUOVGQA-MOPGFXCFSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365112 1065969757 /nfs/dbraw/zinc/96/97/57/1065969757.db2.gz JVGOVYZPXOAGFE-FQEVSTJZSA-N 1 1 491.658 2.852 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001293365685 1065970717 /nfs/dbraw/zinc/97/07/17/1065970717.db2.gz PCDUUMSLZBFSNT-LJQANCHMSA-N 1 1 478.638 2.820 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001293365617 1065970883 /nfs/dbraw/zinc/97/08/83/1065970883.db2.gz NRSUPLWLEMDUGN-HXUWFJFHSA-N 1 1 470.618 2.689 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001293369253 1065972549 /nfs/dbraw/zinc/97/25/49/1065972549.db2.gz CJDMFJNKBSETIJ-OKZBNKHCSA-N 1 1 472.556 2.551 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293371338 1065973918 /nfs/dbraw/zinc/97/39/18/1065973918.db2.gz DYDAJAWBCDGLOQ-QFIPXVFZSA-N 1 1 472.609 2.568 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001293372654 1065976207 /nfs/dbraw/zinc/97/62/07/1065976207.db2.gz KIHRNHKLESMRTA-JOCHJYFZSA-N 1 1 470.666 2.851 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373119 1065977036 /nfs/dbraw/zinc/97/70/36/1065977036.db2.gz PLGDUZCHFDRQMW-LEWJYISDSA-N 1 1 467.680 2.698 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293373551 1065977800 /nfs/dbraw/zinc/97/78/00/1065977800.db2.gz PNPBTYDMIGFZOQ-VXKWHMMOSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373735 1065978368 /nfs/dbraw/zinc/97/83/68/1065978368.db2.gz RFBUDIHRMRHSRS-RBBKRZOGSA-N 1 1 475.659 2.787 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001293373838 1065979292 /nfs/dbraw/zinc/97/92/92/1065979292.db2.gz RZDSIDBTYWITDO-XUVXKRRUSA-N 1 1 489.665 2.987 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001293374137 1065979844 /nfs/dbraw/zinc/97/98/44/1065979844.db2.gz UGBISLAQJICUPS-VSKRKVRLSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293374619 1065980632 /nfs/dbraw/zinc/98/06/32/1065980632.db2.gz YMGXSUCHJOUSHQ-YADHBBJMSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293374894 1065980736 /nfs/dbraw/zinc/98/07/36/1065980736.db2.gz YNUFCDPAXOEUFF-NJDAHSKKSA-N 1 1 482.695 2.550 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001293378578 1065982480 /nfs/dbraw/zinc/98/24/80/1065982480.db2.gz TYGGRCIIDFNEBG-WOJBJXKFSA-N 1 1 455.607 2.789 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293379457 1065983678 /nfs/dbraw/zinc/98/36/78/1065983678.db2.gz PQEUTGIXLYTHEV-QFIPXVFZSA-N 1 1 484.645 2.725 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293379838 1065984575 /nfs/dbraw/zinc/98/45/75/1065984575.db2.gz UYJMEPBUMAWCQP-MOPGFXCFSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001293388046 1065989041 /nfs/dbraw/zinc/98/90/41/1065989041.db2.gz XXVJAXXICWTYNL-RDGATRHJSA-N 1 1 462.683 2.973 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407938 1065997297 /nfs/dbraw/zinc/99/72/97/1065997297.db2.gz PVCMXVGHSHDGKB-YVWKXTFCSA-N 1 1 452.521 2.733 20 0 JFADMO C[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC001293420163 1066001842 /nfs/dbraw/zinc/00/18/42/1066001842.db2.gz PRSYQKNLYBSLNP-MRXNPFEDSA-N 1 1 456.008 2.643 20 0 JFADMO CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001293451224 1066010992 /nfs/dbraw/zinc/01/09/92/1066010992.db2.gz WKYMFXIIPCSUHI-UHFFFAOYSA-N 1 1 454.623 2.579 20 0 JFADMO CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001293485626 1066022701 /nfs/dbraw/zinc/02/27/01/1066022701.db2.gz SKCUZTVYDLSJJC-IFMALSPDSA-N 1 1 496.722 2.750 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC001293506110 1066029815 /nfs/dbraw/zinc/02/98/15/1066029815.db2.gz ANSNZRVOLNILON-OXJNMPFZSA-N 1 1 479.000 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)cc3c2)CC[N@H+]1CCOC ZINC001293506495 1066030349 /nfs/dbraw/zinc/03/03/49/1066030349.db2.gz DAAPIQXKPHOUIW-NRFANRHFSA-N 1 1 467.618 2.801 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC[N@H+]1CCOC ZINC001293508006 1066032505 /nfs/dbraw/zinc/03/25/05/1066032505.db2.gz UZCJIWREECMUNB-JOCHJYFZSA-N 1 1 486.686 2.972 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCS1 ZINC001293508844 1066033229 /nfs/dbraw/zinc/03/32/29/1066033229.db2.gz FTBMBZGQJSBAIJ-UXHICEINSA-N 1 1 486.690 2.531 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)CC[N@H+]1CCOC ZINC001293510276 1066035526 /nfs/dbraw/zinc/03/55/26/1066035526.db2.gz QPTZYABPLCFPKM-HXUWFJFHSA-N 1 1 487.649 2.584 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001293511507 1066037704 /nfs/dbraw/zinc/03/77/04/1066037704.db2.gz WRSJLMVENCOANL-HSZRJFAPSA-N 1 1 483.661 2.790 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ncc(C)s2)C[C@H]1[NH+]1CCOCC1 ZINC001293511701 1066037732 /nfs/dbraw/zinc/03/77/32/1066037732.db2.gz XQTYJZJDHRVRKA-QXAKKESOSA-N 1 1 475.663 2.532 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293516868 1066039849 /nfs/dbraw/zinc/03/98/49/1066039849.db2.gz CBJFWURSMABLIY-OALUTQOASA-N 1 1 485.620 2.954 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC[N@H+]1CCOC ZINC001293519644 1066041072 /nfs/dbraw/zinc/04/10/72/1066041072.db2.gz YQXIIRCPZYSBBD-NRFANRHFSA-N 1 1 463.648 2.541 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293519687 1066041297 /nfs/dbraw/zinc/04/12/97/1066041297.db2.gz ZMEQKBCPPKDIAC-FUHWJXTLSA-N 1 1 466.428 2.608 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC001293519850 1066041401 /nfs/dbraw/zinc/04/14/01/1066041401.db2.gz OCLKCJMMILJNRA-NRFANRHFSA-N 1 1 474.625 2.621 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC[N@H+]1CCOC ZINC001293519645 1066041433 /nfs/dbraw/zinc/04/14/33/1066041433.db2.gz YQXIIRCPZYSBBD-OAQYLSRUSA-N 1 1 463.648 2.541 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC(F)(F)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293529310 1066048849 /nfs/dbraw/zinc/04/88/49/1066048849.db2.gz IGZSSYMJJHVXKZ-VNTMZGSJSA-N 1 1 471.593 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001293530413 1066049884 /nfs/dbraw/zinc/04/98/84/1066049884.db2.gz FGKGXTXXWZBGNB-ZJSXRUAMSA-N 1 1 480.723 2.678 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001293531125 1066050932 /nfs/dbraw/zinc/05/09/32/1066050932.db2.gz KQSQIUXPXWCHOR-GBXCKJPGSA-N 1 1 480.723 2.677 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293537866 1066055170 /nfs/dbraw/zinc/05/51/70/1066055170.db2.gz TULCEGJKXFXGTP-FUHWJXTLSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001293549243 1066065231 /nfs/dbraw/zinc/06/52/31/1066065231.db2.gz IXYHVXVACUMUQG-FQEVSTJZSA-N 1 1 453.591 2.903 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293549274 1066065361 /nfs/dbraw/zinc/06/53/61/1066065361.db2.gz JKWDBKXVJXXKLV-PXNSSMCTSA-N 1 1 475.037 2.918 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001293552149 1066067165 /nfs/dbraw/zinc/06/71/65/1066067165.db2.gz KQRYNWWTRYDWMP-LJQANCHMSA-N 1 1 494.036 2.696 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293552368 1066067517 /nfs/dbraw/zinc/06/75/17/1066067517.db2.gz BPRUDJYWWPMMGJ-INIZCTEOSA-N 1 1 463.011 2.749 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001293556051 1066070083 /nfs/dbraw/zinc/07/00/83/1066070083.db2.gz GDKSKKWNEIMQGL-NRFANRHFSA-N 1 1 472.634 2.605 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001293556052 1066070106 /nfs/dbraw/zinc/07/01/06/1066070106.db2.gz GDKSKKWNEIMQGL-OAQYLSRUSA-N 1 1 472.634 2.605 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293556055 1066070202 /nfs/dbraw/zinc/07/02/02/1066070202.db2.gz GGAXXHGGEMZQCN-SIKLNZKXSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293556357 1066070689 /nfs/dbraw/zinc/07/06/89/1066070689.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 1 1 486.661 2.612 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293556941 1066071147 /nfs/dbraw/zinc/07/11/47/1066071147.db2.gz KQWOOQZSVFGFPJ-PXDATVDWSA-N 1 1 488.702 2.938 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CC[N@H+]1CCOC ZINC001293565342 1066077191 /nfs/dbraw/zinc/07/71/91/1066077191.db2.gz LLWNWUAWVIZXGA-FQEVSTJZSA-N 1 1 477.053 2.868 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293565868 1066077952 /nfs/dbraw/zinc/07/79/52/1066077952.db2.gz ASFDNFQVFOSLDE-BWKNWUBXSA-N 1 1 450.587 2.795 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(F)(F)Br)C[C@H]1[NH+]1CCOCC1 ZINC001293566163 1066078952 /nfs/dbraw/zinc/07/89/52/1066078952.db2.gz DCAQMQGYSPLSIH-GDBMZVCRSA-N 1 1 471.350 2.875 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCOC)CC[N@H+]1CCOC ZINC001293566354 1066079276 /nfs/dbraw/zinc/07/92/76/1066079276.db2.gz SBMBLLUZJOWBMR-MRXNPFEDSA-N 1 1 452.397 2.901 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293566384 1066079589 /nfs/dbraw/zinc/07/95/89/1066079589.db2.gz SMESORLMUSGIBE-YLJYHZDGSA-N 1 1 461.010 2.624 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC[N@H+]1CCOC ZINC001293568774 1066081517 /nfs/dbraw/zinc/08/15/17/1066081517.db2.gz SAUDGAPPVOSYOL-SJLPKXTDSA-N 1 1 456.513 2.855 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293570154 1066082228 /nfs/dbraw/zinc/08/22/28/1066082228.db2.gz AIBMBJUUTISTQE-HSZRJFAPSA-N 1 1 477.613 2.546 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC001293570468 1066082605 /nfs/dbraw/zinc/08/26/05/1066082605.db2.gz AFJJJJULXKPTCD-FQEVSTJZSA-N 1 1 483.592 2.698 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293571284 1066083364 /nfs/dbraw/zinc/08/33/64/1066083364.db2.gz JBZWGCPSZTWBMT-IEBWSBKVSA-N 1 1 450.534 2.559 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293572715 1066084448 /nfs/dbraw/zinc/08/44/48/1066084448.db2.gz TVPBVFIYHPIZDH-QRQLOZEOSA-N 1 1 470.540 2.798 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(C)O)c2)CC[N@H+]1CCOC ZINC001293577716 1066088137 /nfs/dbraw/zinc/08/81/37/1066088137.db2.gz WWADXWIBZNPAKQ-OAQYLSRUSA-N 1 1 465.602 2.558 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001293582049 1066090977 /nfs/dbraw/zinc/09/09/77/1066090977.db2.gz HPYABESLYJZTAR-IEBWSBKVSA-N 1 1 498.525 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@H+]1CCOC ZINC001293583801 1066093284 /nfs/dbraw/zinc/09/32/84/1066093284.db2.gz KHARAOPHBGIDIS-QZTJIDSGSA-N 1 1 460.648 2.816 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@H+]1CCOC ZINC001293583802 1066093317 /nfs/dbraw/zinc/09/33/17/1066093317.db2.gz KHARAOPHBGIDIS-ROUUACIJSA-N 1 1 460.648 2.816 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCN1CCOC ZINC001293587776 1066095544 /nfs/dbraw/zinc/09/55/44/1066095544.db2.gz QSRGUGLFXUIPPQ-FYYLOGMGSA-N 1 1 492.709 2.956 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)CCOC)CCO1 ZINC001293591796 1066097969 /nfs/dbraw/zinc/09/79/69/1066097969.db2.gz ARPDCFWXIXUKNG-OAQYLSRUSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293593097 1066098949 /nfs/dbraw/zinc/09/89/49/1066098949.db2.gz DBUKHIFELVODLG-MKXGPGLRSA-N 1 1 475.556 2.687 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001293593988 1066100554 /nfs/dbraw/zinc/10/05/54/1066100554.db2.gz GMZGOQCJJWPCAF-RTWAWAEBSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293594255 1066101596 /nfs/dbraw/zinc/10/15/96/1066101596.db2.gz JDMMXXAUEJEQSC-RTBURBONSA-N 1 1 463.652 2.859 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(COC)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293596821 1066108137 /nfs/dbraw/zinc/10/81/37/1066108137.db2.gz GNZLKSUZOYVFCL-LEWJYISDSA-N 1 1 463.667 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293599110 1066113766 /nfs/dbraw/zinc/11/37/66/1066113766.db2.gz AZALCWSYUFSKJS-OALUTQOASA-N 1 1 464.655 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293606723 1066121855 /nfs/dbraw/zinc/12/18/55/1066121855.db2.gz GKFZCGKQDYWHGM-NHCUHLMSSA-N 1 1 476.666 2.891 20 0 JFADMO O=C(c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001293606784 1066121865 /nfs/dbraw/zinc/12/18/65/1066121865.db2.gz LYEZAOCGCQDDLY-FQEVSTJZSA-N 1 1 457.596 2.819 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293609659 1066124789 /nfs/dbraw/zinc/12/47/89/1066124789.db2.gz AAWJIEMBPOUQGR-IRLDBZIGSA-N 1 1 486.636 2.860 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001293612614 1066129101 /nfs/dbraw/zinc/12/91/01/1066129101.db2.gz MMVZTRUZPAEFPQ-BHIFYINESA-N 1 1 478.037 2.609 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293612693 1066129661 /nfs/dbraw/zinc/12/96/61/1066129661.db2.gz PPHCFKBOJXRPGS-NZQKXSOJSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293616417 1066132850 /nfs/dbraw/zinc/13/28/50/1066132850.db2.gz IJJRXUBQYNIJLK-PMACEKPBSA-N 1 1 462.689 2.660 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293616914 1066133752 /nfs/dbraw/zinc/13/37/52/1066133752.db2.gz PVCORXINZUWBEA-BKMJKUGQSA-N 1 1 482.629 2.928 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001293619383 1066135892 /nfs/dbraw/zinc/13/58/92/1066135892.db2.gz BPZSKZWMRWLASF-NRFANRHFSA-N 1 1 498.657 2.720 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[S@@](=O)CC)CCS1 ZINC001293628443 1066142644 /nfs/dbraw/zinc/14/26/44/1066142644.db2.gz IBUSQJHICQWSGV-NBLPZQPVSA-N 1 1 490.743 2.743 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293643796 1066159173 /nfs/dbraw/zinc/15/91/73/1066159173.db2.gz HIBWPWGERZNEPI-SFTDATJTSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293644378 1066159532 /nfs/dbraw/zinc/15/95/32/1066159532.db2.gz MBAZRONDILTIFU-PZJWPPBQSA-N 1 1 472.659 2.514 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293647936 1066162408 /nfs/dbraw/zinc/16/24/08/1066162408.db2.gz OMBHAWCGFXGYLC-BWKNWUBXSA-N 1 1 489.686 2.889 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293647906 1066162441 /nfs/dbraw/zinc/16/24/41/1066162441.db2.gz OEKLMYVBQJYDOX-JTHBVZDNSA-N 1 1 484.645 2.581 20 0 JFADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001293651185 1066163468 /nfs/dbraw/zinc/16/34/68/1066163468.db2.gz NPSMTDXJRMCCOG-MSOLQXFVSA-N 1 1 459.450 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293651584 1066163607 /nfs/dbraw/zinc/16/36/07/1066163607.db2.gz MMJJGLQNTXEWOU-FXAWDEMLSA-N 1 1 493.077 2.907 20 0 JFADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001293651189 1066163682 /nfs/dbraw/zinc/16/36/82/1066163682.db2.gz NPSMTDXJRMCCOG-ROUUACIJSA-N 1 1 459.450 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293652468 1066164266 /nfs/dbraw/zinc/16/42/66/1066164266.db2.gz JCBULJUBTIUUFU-XDNAFOTISA-N 1 1 461.529 2.644 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293653802 1066166777 /nfs/dbraw/zinc/16/67/77/1066166777.db2.gz QQNBWWJVJDKYTL-PQNGQFLHSA-N 1 1 461.582 2.723 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001293660505 1066168307 /nfs/dbraw/zinc/16/83/07/1066168307.db2.gz VGBHLRJIANOXPY-ONTIZHBOSA-N 1 1 461.582 2.737 20 0 JFADMO CC/C=C\Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293667772 1066170193 /nfs/dbraw/zinc/17/01/93/1066170193.db2.gz QSSXXUJDKPEMCH-OOFWQKGWSA-N 1 1 490.450 2.755 20 0 JFADMO CC/C=C/Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CCOCC)CC1 ZINC001293668860 1066170834 /nfs/dbraw/zinc/17/08/34/1066170834.db2.gz AFPNUNBOIIBNHV-VOTSOKGWSA-N 1 1 475.663 2.671 20 0 JFADMO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293683464 1066174013 /nfs/dbraw/zinc/17/40/13/1066174013.db2.gz QIDATRZUYROAPC-IRUYWQDXSA-N 1 1 468.602 2.671 20 0 JFADMO CC/C=C\Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001293694606 1066176114 /nfs/dbraw/zinc/17/61/14/1066176114.db2.gz MPGAOIQIYXFUQB-YFHOEESVSA-N 1 1 492.628 2.941 20 0 JFADMO CC/C=C\Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001293694606 1066176115 /nfs/dbraw/zinc/17/61/15/1066176115.db2.gz MPGAOIQIYXFUQB-YFHOEESVSA-N 1 1 492.628 2.941 20 0 JFADMO CC/C=C/Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293703798 1066177753 /nfs/dbraw/zinc/17/77/53/1066177753.db2.gz LWXISKWJQSHTCQ-BDNZGDGKSA-N 1 1 458.651 2.909 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(COCC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC001293735040 1066192134 /nfs/dbraw/zinc/19/21/34/1066192134.db2.gz AQFQKFRIJYVQOT-DENIHFKCSA-N 1 1 470.618 2.758 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001293735491 1066193326 /nfs/dbraw/zinc/19/33/26/1066193326.db2.gz FFWSDSJJBHCGBC-QHCPKHFHSA-N 1 1 495.672 2.750 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293736606 1066197478 /nfs/dbraw/zinc/19/74/78/1066197478.db2.gz SFYYRJUPSIIPSM-BDTNDASRSA-N 1 1 487.693 2.767 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001293756360 1066236171 /nfs/dbraw/zinc/23/61/71/1066236171.db2.gz NIJZLWUEZKZOBT-JOCHJYFZSA-N 1 1 498.672 2.873 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001293756360 1066236184 /nfs/dbraw/zinc/23/61/84/1066236184.db2.gz NIJZLWUEZKZOBT-JOCHJYFZSA-N 1 1 498.672 2.873 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001293760983 1066244461 /nfs/dbraw/zinc/24/44/61/1066244461.db2.gz FCDHRDTUCPMLEC-FQEVSTJZSA-N 1 1 496.660 2.931 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001293773068 1066262937 /nfs/dbraw/zinc/26/29/37/1066262937.db2.gz FWRHSKIQSILRQL-OAQYLSRUSA-N 1 1 453.635 2.881 20 0 JFADMO CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001293798064 1066308591 /nfs/dbraw/zinc/30/85/91/1066308591.db2.gz OSOOORIHWBIIIE-NLFFAJNJSA-N 1 1 454.619 2.776 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293835088 1066339707 /nfs/dbraw/zinc/33/97/07/1066339707.db2.gz KXAOJVILEAJDPY-AMGIVPHBSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293851913 1066357586 /nfs/dbraw/zinc/35/75/86/1066357586.db2.gz WSSIWDLRQYGVGN-MIZPHKNDSA-N 1 1 484.645 2.663 20 0 JFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC001293863529 1066374447 /nfs/dbraw/zinc/37/44/47/1066374447.db2.gz DFEHIWOMRVATCQ-YGLGAKQISA-N 1 1 459.587 2.591 20 0 JFADMO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001293881798 1066387934 /nfs/dbraw/zinc/38/79/34/1066387934.db2.gz VMJKBNLRWHWKEE-QFIPXVFZSA-N 1 1 450.942 2.723 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293905867 1066396181 /nfs/dbraw/zinc/39/61/81/1066396181.db2.gz SBUAGJBGXHGYDU-LJQANCHMSA-N 1 1 492.690 2.931 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001293905867 1066396195 /nfs/dbraw/zinc/39/61/95/1066396195.db2.gz SBUAGJBGXHGYDU-LJQANCHMSA-N 1 1 492.690 2.931 20 0 JFADMO C[C@@H](CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[NH+]1CCOCC1 ZINC001293931946 1066410620 /nfs/dbraw/zinc/41/06/20/1066410620.db2.gz DXWXQPJAZVQYTC-AWEZNQCLSA-N 1 1 450.630 2.593 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293935958 1066417671 /nfs/dbraw/zinc/41/76/71/1066417671.db2.gz GQDUNJWLAZQKPR-SFTDATJTSA-N 1 1 483.661 2.972 20 0 JFADMO CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001293965125 1066465461 /nfs/dbraw/zinc/46/54/61/1066465461.db2.gz JMWROSZCFSSHFP-XZOQPEGZSA-N 1 1 469.029 2.964 20 0 JFADMO CN1C(=O)C[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001293981691 1066486001 /nfs/dbraw/zinc/48/60/01/1066486001.db2.gz GIOXRGWBGUEQDN-OEOAZWSVSA-N 1 1 459.949 2.752 20 0 JFADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001293982763 1066487806 /nfs/dbraw/zinc/48/78/06/1066487806.db2.gz WCNALDZKLFTSEW-MZANGIHLSA-N 1 1 456.546 2.606 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001294003427 1066502593 /nfs/dbraw/zinc/50/25/93/1066502593.db2.gz HGGUIYBELBBRBJ-PZJWPPBQSA-N 1 1 459.639 2.557 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001294003428 1066502647 /nfs/dbraw/zinc/50/26/47/1066502647.db2.gz HGGUIYBELBBRBJ-TZIWHRDSSA-N 1 1 459.639 2.557 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC[N@H+]1CCOC ZINC001294054803 1066527503 /nfs/dbraw/zinc/52/75/03/1066527503.db2.gz OHAPAOKFHWFZNM-LJQANCHMSA-N 1 1 460.623 2.973 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC[N@H+]1CCOC ZINC001294054857 1066527962 /nfs/dbraw/zinc/52/79/62/1066527962.db2.gz PAZWCTZHBIREOV-LJQANCHMSA-N 1 1 464.561 2.680 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC[N@H+]1CCOC ZINC001294058527 1066530804 /nfs/dbraw/zinc/53/08/04/1066530804.db2.gz RGFSVZZVVLWGHR-MOPGFXCFSA-N 1 1 476.588 2.602 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294058581 1066531350 /nfs/dbraw/zinc/53/13/50/1066531350.db2.gz SCWOPYQNHYTEHM-BDTNDASRSA-N 1 1 496.722 2.543 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@H+]1CCOC ZINC001294059402 1066532036 /nfs/dbraw/zinc/53/20/36/1066532036.db2.gz YDSCICKWDQGBDT-SOAISFHBSA-N 1 1 484.711 2.823 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001294064021 1066534597 /nfs/dbraw/zinc/53/45/97/1066534597.db2.gz FOJYPYXJUWNJEB-NRFANRHFSA-N 1 1 451.489 2.874 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001294066394 1066536263 /nfs/dbraw/zinc/53/62/63/1066536263.db2.gz HSUJGIKOUOTVRO-WOJBJXKFSA-N 1 1 479.025 2.736 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294065907 1066536420 /nfs/dbraw/zinc/53/64/20/1066536420.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 1 1 456.635 2.603 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294066830 1066536820 /nfs/dbraw/zinc/53/68/20/1066536820.db2.gz FFRMPNHIQLALKG-BWKNWUBXSA-N 1 1 473.618 2.696 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294069465 1066540029 /nfs/dbraw/zinc/54/00/29/1066540029.db2.gz QEMBDJWWTDGSSE-HXUWFJFHSA-N 1 1 459.591 2.690 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CC[N@H+]1CCOC ZINC001294076340 1066545489 /nfs/dbraw/zinc/54/54/89/1066545489.db2.gz IHHITHIQCNPGEH-OAQYLSRUSA-N 1 1 450.591 2.618 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001294077466 1066546815 /nfs/dbraw/zinc/54/68/15/1066546815.db2.gz PJLJSXCQPKJVDV-LJQANCHMSA-N 1 1 469.565 2.868 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001294077886 1066547332 /nfs/dbraw/zinc/54/73/32/1066547332.db2.gz TYQRNSJPIILTTC-NTKDMRAZSA-N 1 1 457.623 2.613 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294081045 1066549107 /nfs/dbraw/zinc/54/91/07/1066549107.db2.gz LTQIBLQGEKWWKG-NHCUHLMSSA-N 1 1 460.623 2.957 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294081712 1066549747 /nfs/dbraw/zinc/54/97/47/1066549747.db2.gz NWFCOAAAQMTROY-ROUUACIJSA-N 1 1 497.566 2.771 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001294084749 1066554134 /nfs/dbraw/zinc/55/41/34/1066554134.db2.gz AMUATIWNKHOHGC-CEMLEFRQSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001294084749 1066554143 /nfs/dbraw/zinc/55/41/43/1066554143.db2.gz AMUATIWNKHOHGC-CEMLEFRQSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001294085531 1066555593 /nfs/dbraw/zinc/55/55/93/1066555593.db2.gz UAKBWGWVGNCKLH-IEBWSBKVSA-N 1 1 494.562 2.826 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001294086961 1066558796 /nfs/dbraw/zinc/55/87/96/1066558796.db2.gz PEOZVTUACZJXEZ-PCCBWWKXSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001294086960 1066558828 /nfs/dbraw/zinc/55/88/28/1066558828.db2.gz PEOZVTUACZJXEZ-NJDAHSKKSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC[N@H+]1CCOC ZINC001294087877 1066560045 /nfs/dbraw/zinc/56/00/45/1066560045.db2.gz YIFFNINKBXEZQI-OPJGWUQDSA-N 1 1 473.618 2.889 20 0 JFADMO C[C@@H]1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001294090866 1066561281 /nfs/dbraw/zinc/56/12/81/1066561281.db2.gz WPNSWJZNMLDQMV-OAQYLSRUSA-N 1 1 455.624 2.654 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001294090915 1066561744 /nfs/dbraw/zinc/56/17/44/1066561744.db2.gz IZERHQKARPSISV-FCHUYYIVSA-N 1 1 478.037 2.875 20 0 JFADMO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1C(F)(F)N1CCOCC12C[NH2+]C2 ZINC001164403362 718860878 /nfs/dbraw/zinc/86/08/78/718860878.db2.gz MQXHTZBUBZADCU-UHFFFAOYSA-N 1 1 495.939 2.808 20 0 JFADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC3)COCC(=O)N5)n2)CCC4)CC1 ZINC001164424326 718934487 /nfs/dbraw/zinc/93/44/87/718934487.db2.gz NYIVKYUJBWYPTN-UHFFFAOYSA-N 1 1 455.628 2.897 20 0 JFADMO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164630664 719140090 /nfs/dbraw/zinc/14/00/90/719140090.db2.gz LIMLAFXLYJXYCO-HSZRJFAPSA-N 1 1 478.641 2.706 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12 ZINC001164655234 719324671 /nfs/dbraw/zinc/32/46/71/719324671.db2.gz PDODAQMBRGNOPJ-NZJKTDFXSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12 ZINC001164655234 719324674 /nfs/dbraw/zinc/32/46/74/719324674.db2.gz PDODAQMBRGNOPJ-NZJKTDFXSA-N 1 1 461.610 2.935 20 0 JFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164668228 719438671 /nfs/dbraw/zinc/43/86/71/719438671.db2.gz IVAZGFBACICQMV-VQTJNVASSA-N 1 1 451.596 2.710 20 0 JFADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164671668 719444364 /nfs/dbraw/zinc/44/43/64/719444364.db2.gz QOEWDKRKLZNRDB-SJORKVTESA-N 1 1 459.616 2.682 20 0 JFADMO O=C([C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164677980 719558515 /nfs/dbraw/zinc/55/85/15/719558515.db2.gz UPYPMCFSYBILJM-QHCPKHFHSA-N 1 1 459.594 2.666 20 0 JFADMO O=C([C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC12CCOCC2)N1CC=CC1 ZINC001164677980 719558517 /nfs/dbraw/zinc/55/85/17/719558517.db2.gz UPYPMCFSYBILJM-QHCPKHFHSA-N 1 1 459.594 2.666 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3c(CN4CCOCC4)nnc3C2)n1 ZINC001164680840 719586004 /nfs/dbraw/zinc/58/60/04/719586004.db2.gz QUHVPPZBMVDNTQ-UHFFFAOYSA-N 1 1 470.647 2.594 20 0 JFADMO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc1F)CC2 ZINC001164689402 719747087 /nfs/dbraw/zinc/74/70/87/719747087.db2.gz FKFBHVXXFBIGAH-UHFFFAOYSA-N 1 1 496.008 2.856 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc1F)CC2 ZINC001164689402 719747097 /nfs/dbraw/zinc/74/70/97/719747097.db2.gz FKFBHVXXFBIGAH-UHFFFAOYSA-N 1 1 496.008 2.856 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCCN(c5ncccn5)[C@H]4C3)c2c1C ZINC001164692911 719800913 /nfs/dbraw/zinc/80/09/13/719800913.db2.gz QLNWXXBQNOSZHZ-ZWKOTPCHSA-N 1 1 451.600 2.788 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N4CCOCC4)cn2)CC3)cs1 ZINC001164693728 719813034 /nfs/dbraw/zinc/81/30/34/719813034.db2.gz YJURSTQBMBCLBH-UHFFFAOYSA-N 1 1 477.656 2.502 20 0 JFADMO COCCNC(=O)[C@H]1Cn2nccc2CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)C1 ZINC001164695798 719829093 /nfs/dbraw/zinc/82/90/93/719829093.db2.gz FQOQFBHYXHNZRM-LJQANCHMSA-N 1 1 497.669 2.890 20 0 JFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164708186 719865842 /nfs/dbraw/zinc/86/58/42/719865842.db2.gz YHORAYIGCLKKTR-CMJOXMDJSA-N 1 1 474.562 2.538 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1 ZINC001164699912 719865896 /nfs/dbraw/zinc/86/58/96/719865896.db2.gz CVJVLBPMSIVYLH-WAIKUNEKSA-N 1 1 476.961 2.693 20 0 JFADMO O=S(=O)(c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2)N1CCCC1 ZINC001164698995 719895706 /nfs/dbraw/zinc/89/57/06/719895706.db2.gz VITWSKFVDLNDPO-UHFFFAOYSA-N 1 1 462.641 2.799 20 0 JFADMO O=S(=O)(c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)N1CCCC1 ZINC001164698995 719895708 /nfs/dbraw/zinc/89/57/08/719895708.db2.gz VITWSKFVDLNDPO-UHFFFAOYSA-N 1 1 462.641 2.799 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814780 720095184 /nfs/dbraw/zinc/09/51/84/720095184.db2.gz WPPWSJBCLMTLRL-CJFMBICVSA-N 1 1 481.622 2.853 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164711638 720098901 /nfs/dbraw/zinc/09/89/01/720098901.db2.gz RVKRGOZKGYQJNJ-LJQANCHMSA-N 1 1 468.554 2.557 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164710682 720101545 /nfs/dbraw/zinc/10/15/45/720101545.db2.gz LBSXLSSDMIAUFE-GOSISDBHSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164710682 720101554 /nfs/dbraw/zinc/10/15/54/720101554.db2.gz LBSXLSSDMIAUFE-GOSISDBHSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164710682 720101563 /nfs/dbraw/zinc/10/15/63/720101563.db2.gz LBSXLSSDMIAUFE-GOSISDBHSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164714247 720126512 /nfs/dbraw/zinc/12/65/12/720126512.db2.gz BEKWNBQFLWTTHD-HSZRJFAPSA-N 1 1 494.640 2.769 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812567 720128981 /nfs/dbraw/zinc/12/89/81/720128981.db2.gz PHVJDLONOMEZJJ-IIBYNOLFSA-N 1 1 456.418 2.805 20 0 JFADMO Cn1nnc2c1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717761 720175273 /nfs/dbraw/zinc/17/52/73/720175273.db2.gz MHMYDBXCGXVRCN-AREMUKBSSA-N 1 1 487.652 2.985 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813271 720205486 /nfs/dbraw/zinc/20/54/86/720205486.db2.gz NXEZKSXZYXSWGA-QFBILLFUSA-N 1 1 463.978 2.868 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1 ZINC001164812092 720223799 /nfs/dbraw/zinc/22/37/99/720223799.db2.gz DASQFGXWCCWVKE-UHFFFAOYSA-N 1 1 450.543 2.614 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)CCC2 ZINC001164813498 720237814 /nfs/dbraw/zinc/23/78/14/720237814.db2.gz OYHULUNNWNIERW-UHFFFAOYSA-N 1 1 452.937 2.971 20 0 JFADMO COc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)c(OC)c1OC ZINC001164815125 720242128 /nfs/dbraw/zinc/24/21/28/720242128.db2.gz AUBLEEPCLUQXQJ-UHFFFAOYSA-N 1 1 494.596 2.977 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CCC2 ZINC001164817947 720242486 /nfs/dbraw/zinc/24/24/86/720242486.db2.gz VAECCJGVSRHUBM-UHFFFAOYSA-N 1 1 489.624 2.787 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817579 720274401 /nfs/dbraw/zinc/27/44/01/720274401.db2.gz DQLAZLNDBGOKDK-CAKYRVLISA-N 1 1 494.640 2.993 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)C2)C1 ZINC001164721233 720285294 /nfs/dbraw/zinc/28/52/94/720285294.db2.gz HZSMSLYZBVWPTM-FQRUVTKNSA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)C2)C1 ZINC001164721233 720285304 /nfs/dbraw/zinc/28/53/04/720285304.db2.gz HZSMSLYZBVWPTM-FQRUVTKNSA-N 1 1 466.630 2.673 20 0 JFADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164724520 720320284 /nfs/dbraw/zinc/32/02/84/720320284.db2.gz QSJXOHDVPKYBKJ-ICDZXHCJSA-N 1 1 464.610 2.871 20 0 JFADMO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164724516 720320484 /nfs/dbraw/zinc/32/04/84/720320484.db2.gz QSJXOHDVPKYBKJ-CAOCKLPOSA-N 1 1 464.610 2.871 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724332 720361962 /nfs/dbraw/zinc/36/19/62/720361962.db2.gz JROPQNDERSRKPI-VXKWHMMOSA-N 1 1 460.563 2.917 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164729313 720428238 /nfs/dbraw/zinc/42/82/38/720428238.db2.gz GWQGTYONFRENCA-FCHUYYIVSA-N 1 1 460.563 2.917 20 0 JFADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164831232 720456316 /nfs/dbraw/zinc/45/63/16/720456316.db2.gz NVKFKTKWVPHBBF-IBGZPJMESA-N 1 1 465.602 2.733 20 0 JFADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164832301 720458212 /nfs/dbraw/zinc/45/82/12/720458212.db2.gz SZBSETLIXUSPLP-FQEVSTJZSA-N 1 1 475.037 2.517 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164836343 720564303 /nfs/dbraw/zinc/56/43/03/720564303.db2.gz JPMXXGMUZZSMBD-IIDMSEBBSA-N 1 1 457.966 2.972 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164841328 720592729 /nfs/dbraw/zinc/59/27/29/720592729.db2.gz RVNWTWSSACDXJN-SOLBZPMBSA-N 1 1 471.993 2.983 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843538 720593796 /nfs/dbraw/zinc/59/37/96/720593796.db2.gz XVYFSNICGLWROC-YQQAZPJKSA-N 1 1 457.966 2.972 20 0 JFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843591 720597962 /nfs/dbraw/zinc/59/79/62/720597962.db2.gz YJKKGKCOXREACF-QHAWAJNXSA-N 1 1 454.623 2.835 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840144 720601876 /nfs/dbraw/zinc/60/18/76/720601876.db2.gz PDLSDWDZZAENAH-QNWVGRARSA-N 1 1 472.659 2.831 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC[C@@H]21 ZINC001164840142 720602918 /nfs/dbraw/zinc/60/29/18/720602918.db2.gz PDLSDWDZZAENAH-GIWBLDEGSA-N 1 1 472.659 2.831 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164742174 720772826 /nfs/dbraw/zinc/77/28/26/720772826.db2.gz NPRVQSBPQFDUKI-DZGCQCFKSA-N 1 1 462.888 2.969 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164742174 720772833 /nfs/dbraw/zinc/77/28/33/720772833.db2.gz NPRVQSBPQFDUKI-DZGCQCFKSA-N 1 1 462.888 2.969 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745914 720774876 /nfs/dbraw/zinc/77/48/76/720774876.db2.gz WNIDOEYIXMFLJP-CABCVRRESA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745914 720774894 /nfs/dbraw/zinc/77/48/94/720774894.db2.gz WNIDOEYIXMFLJP-CABCVRRESA-N 1 1 459.888 2.869 20 0 JFADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743224 720821491 /nfs/dbraw/zinc/82/14/91/720821491.db2.gz RLVHGRNKXLPNKV-CEXWTWQISA-N 1 1 454.579 2.795 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1OCC ZINC001164737370 720827471 /nfs/dbraw/zinc/82/74/71/720827471.db2.gz AKXBCWYMJVIJEK-IRFCIJBXSA-N 1 1 454.575 2.628 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164741638 720829710 /nfs/dbraw/zinc/82/97/10/720829710.db2.gz NZSLCEOEXDXXHF-XQBPLPMBSA-N 1 1 463.586 2.926 20 0 JFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164747959 720835551 /nfs/dbraw/zinc/83/55/51/720835551.db2.gz SCCRPUSGPVYYKT-BHIFYINESA-N 1 1 459.602 2.576 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164747844 720836015 /nfs/dbraw/zinc/83/60/15/720836015.db2.gz RUTDQPAHUUCWIV-JAXLGGSGSA-N 1 1 494.669 2.807 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc(N3CCOCC3)c2s1 ZINC001164747850 720836104 /nfs/dbraw/zinc/83/61/04/720836104.db2.gz RUTDQPAHUUCWIV-KCZVDYSFSA-N 1 1 494.669 2.807 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744720 720840634 /nfs/dbraw/zinc/84/06/34/720840634.db2.gz LHSYEOAJOJOKBC-XQBPLPMBSA-N 1 1 495.628 2.824 20 0 JFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741222 720841685 /nfs/dbraw/zinc/84/16/85/720841685.db2.gz DUCLNVFEOASIEP-RRFJBIMHSA-N 1 1 455.966 2.935 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001164739515 720847327 /nfs/dbraw/zinc/84/73/27/720847327.db2.gz AVRLSXKWRXRTNE-CQOQZXRMSA-N 1 1 463.630 2.925 20 0 JFADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743570 720849577 /nfs/dbraw/zinc/84/95/77/720849577.db2.gz JFRLZQYMNBMLSS-YESZJQIVSA-N 1 1 453.925 2.568 20 0 JFADMO c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751083 720853344 /nfs/dbraw/zinc/85/33/44/720853344.db2.gz PYZZWOFOBMWQOW-SKBVVQJISA-N 1 1 499.667 2.774 20 0 JFADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753608 720853354 /nfs/dbraw/zinc/85/33/54/720853354.db2.gz YQFMYUPPGLPOLV-YZUZCNPQSA-N 1 1 456.598 2.998 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164753039 720859610 /nfs/dbraw/zinc/85/96/10/720859610.db2.gz VNFBLPHGLMQCRQ-RBSFLKMASA-N 1 1 466.373 2.541 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@H]2C1 ZINC001164863695 720873777 /nfs/dbraw/zinc/87/37/77/720873777.db2.gz UACLURYRPSNAGS-IRXDYDNUSA-N 1 1 453.921 2.910 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC[C@H]2C1 ZINC001164864298 720879890 /nfs/dbraw/zinc/87/98/90/720879890.db2.gz VJCOTBBCMNSNPL-RDJZCZTQSA-N 1 1 453.921 2.910 20 0 JFADMO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164758181 720882291 /nfs/dbraw/zinc/88/22/91/720882291.db2.gz XKMYAQOUULMLBM-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164756018 720883022 /nfs/dbraw/zinc/88/30/22/720883022.db2.gz OCNXPTJFVPQAGH-NBGIEHNGSA-N 1 1 496.637 2.512 20 0 JFADMO NS(=O)(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164758799 720885568 /nfs/dbraw/zinc/88/55/68/720885568.db2.gz ZNYSAIUEXGSCDF-CVDCTZTESA-N 1 1 492.045 2.533 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752846 720886415 /nfs/dbraw/zinc/88/64/15/720886415.db2.gz GBVAJPDDMMDGEF-RLWLMLJZSA-N 1 1 481.597 2.812 20 0 JFADMO CCOC(=O)c1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758188 720889504 /nfs/dbraw/zinc/88/95/04/720889504.db2.gz XNIWAXPYUPPANO-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1nccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758187 720889915 /nfs/dbraw/zinc/88/99/15/720889915.db2.gz XNIWAXPYUPPANO-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO CN(C)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2nc[nH]c21 ZINC001164755004 720895736 /nfs/dbraw/zinc/89/57/36/720895736.db2.gz KDCRQCYERRJKCV-CPJSRVTESA-N 1 1 462.602 2.569 20 0 JFADMO CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164753232 720910884 /nfs/dbraw/zinc/91/08/84/720910884.db2.gz RACHCALWLKGQCY-RDGATRHJSA-N 1 1 485.654 2.530 20 0 JFADMO CCOC(=O)c1nccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752278 720917976 /nfs/dbraw/zinc/91/79/76/720917976.db2.gz NUNGALZRGFDMLJ-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1nccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752260 720919379 /nfs/dbraw/zinc/91/93/79/720919379.db2.gz NUNGALZRGFDMLJ-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754986 720930839 /nfs/dbraw/zinc/93/08/39/720930839.db2.gz XSLNIBZBEHHGTP-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO COCc1nc(OC)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748592 720934483 /nfs/dbraw/zinc/93/44/83/720934483.db2.gz HEFMEIRXMQYNMP-SQJMNOBHSA-N 1 1 453.587 2.782 20 0 JFADMO CNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754680 720936844 /nfs/dbraw/zinc/93/68/44/720936844.db2.gz XGNHKMWOQACPJX-YADARESESA-N 1 1 471.005 2.640 20 0 JFADMO NC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164749149 720940165 /nfs/dbraw/zinc/94/01/65/720940165.db2.gz HXGCXEYZOZVXDJ-RLWLMLJZSA-N 1 1 462.598 2.603 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164759103 721020161 /nfs/dbraw/zinc/02/01/61/721020161.db2.gz KPBQBWMWSRPZIH-NRRYGQPISA-N 1 1 498.631 2.978 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164759103 721020167 /nfs/dbraw/zinc/02/01/67/721020167.db2.gz KPBQBWMWSRPZIH-NRRYGQPISA-N 1 1 498.631 2.978 20 0 JFADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2c1C ZINC001164861235 721033958 /nfs/dbraw/zinc/03/39/58/721033958.db2.gz FGRYJJIVCKBLOP-UHFFFAOYSA-N 1 1 478.626 2.644 20 0 JFADMO c1ccc(CN2CCc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868631 721058310 /nfs/dbraw/zinc/05/83/10/721058310.db2.gz OVAJASQLBKQOJP-ZEQRLZLVSA-N 1 1 456.594 2.910 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164765281 721063772 /nfs/dbraw/zinc/06/37/72/721063772.db2.gz COOBDQYSQZMIEX-GIFXNVAJSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164765281 721063775 /nfs/dbraw/zinc/06/37/75/721063775.db2.gz COOBDQYSQZMIEX-GIFXNVAJSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164765288 721063858 /nfs/dbraw/zinc/06/38/58/721063858.db2.gz COOBDQYSQZMIEX-VDKIKQQVSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164765288 721063862 /nfs/dbraw/zinc/06/38/62/721063862.db2.gz COOBDQYSQZMIEX-VDKIKQQVSA-N 1 1 472.593 2.540 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164871432 721071436 /nfs/dbraw/zinc/07/14/36/721071436.db2.gz YVMQJRGWAWLRDL-DLBZAZTESA-N 1 1 452.889 2.941 20 0 JFADMO c1ccc(CN2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078585 /nfs/dbraw/zinc/07/85/85/721078585.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 1 1 456.594 2.910 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164770425 721079333 /nfs/dbraw/zinc/07/93/33/721079333.db2.gz PZXJEDPFLMCFEH-CABCVRRESA-N 1 1 454.909 2.543 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164867338 721088085 /nfs/dbraw/zinc/08/80/85/721088085.db2.gz YDBQQKCSMPWVLX-DNVJHFABSA-N 1 1 491.640 2.855 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)OCC ZINC001164866346 721088658 /nfs/dbraw/zinc/08/86/58/721088658.db2.gz SODBSDSUVWOYOL-MOPGFXCFSA-N 1 1 461.994 2.946 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864859 721091964 /nfs/dbraw/zinc/09/19/64/721091964.db2.gz GXIRSNNKXDTWDR-MSOLQXFVSA-N 1 1 453.930 2.945 20 0 JFADMO Cc1cc2c(ncnc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772708 721093844 /nfs/dbraw/zinc/09/38/44/721093844.db2.gz VWBURWQRYRAFSD-RTWAWAEBSA-N 1 1 491.621 2.669 20 0 JFADMO Cc1cc2c(ncnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772709 721094744 /nfs/dbraw/zinc/09/47/44/721094744.db2.gz VWBURWQRYRAFSD-SFTDATJTSA-N 1 1 491.621 2.669 20 0 JFADMO Cc1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863531 721109113 /nfs/dbraw/zinc/10/91/13/721109113.db2.gz CSMQYVTVBKJYPV-UXHICEINSA-N 1 1 466.611 2.711 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164875465 721126263 /nfs/dbraw/zinc/12/62/63/721126263.db2.gz LQTIYMJLRYSDRO-CTNGQTDRSA-N 1 1 481.578 2.547 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C[C@@H]3C2)cn1 ZINC001164774078 721128405 /nfs/dbraw/zinc/12/84/05/721128405.db2.gz ZUODLXPRUWZHHA-SQNIBIBYSA-N 1 1 456.982 2.871 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771003 721132932 /nfs/dbraw/zinc/13/29/32/721132932.db2.gz RZRONSRMPXVCFV-GJZGRUSLSA-N 1 1 450.996 2.720 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)nn3)CC2)cc1 ZINC001164877002 721146535 /nfs/dbraw/zinc/14/65/35/721146535.db2.gz NPKYDEKHIKQJQZ-JWQCQUIFSA-N 1 1 471.609 2.678 20 0 JFADMO Cc1cc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164762073 721158258 /nfs/dbraw/zinc/15/82/58/721158258.db2.gz BQQPVWLNXNITDI-RTBURBONSA-N 1 1 453.616 2.528 20 0 JFADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765711 721199054 /nfs/dbraw/zinc/19/90/54/721199054.db2.gz IDHJBGLVFYRTLZ-LEWJYISDSA-N 1 1 481.670 2.832 20 0 JFADMO CNC(=O)[C@]12CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866766 721203882 /nfs/dbraw/zinc/20/38/82/721203882.db2.gz CRPAAWJEYAEAMZ-RBJSKKJNSA-N 1 1 483.620 2.651 20 0 JFADMO O=C(N[C@H]1CCO[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164870895 721211425 /nfs/dbraw/zinc/21/14/25/721211425.db2.gz XIBVAOSXMJUZOT-FIPFOOKPSA-N 1 1 484.604 2.988 20 0 JFADMO COc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c(OC)c1OC ZINC001164765536 721226827 /nfs/dbraw/zinc/22/68/27/721226827.db2.gz RWJPBVOTOMPXEZ-MOPGFXCFSA-N 1 1 464.570 2.861 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC2)C1 ZINC001164870474 721273154 /nfs/dbraw/zinc/27/31/54/721273154.db2.gz ZKUOYYNKTKNDON-UHFFFAOYSA-N 1 1 485.938 2.974 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(Cc4ccccc4)n3)CC2)C1 ZINC001164873539 721280020 /nfs/dbraw/zinc/28/00/20/721280020.db2.gz OCJOMQBXLAHFOI-UHFFFAOYSA-N 1 1 458.006 2.728 20 0 JFADMO Cc1cccc(Sc2cncc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)n2)c1 ZINC001164872149 721282263 /nfs/dbraw/zinc/28/22/63/721282263.db2.gz BGWUBSHFNJRPKD-UHFFFAOYSA-N 1 1 455.628 2.943 20 0 JFADMO COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164778759 721324467 /nfs/dbraw/zinc/32/44/67/721324467.db2.gz RDOGJMZDIWJIQQ-UHFFFAOYSA-N 1 1 476.581 2.742 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)c2c1C ZINC001164889879 721337457 /nfs/dbraw/zinc/33/74/57/721337457.db2.gz ZEGQXRACCQQSJI-RXFWQSSRSA-N 1 1 499.681 2.996 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001164777405 721351294 /nfs/dbraw/zinc/35/12/94/721351294.db2.gz GTBRTELBKKJKIM-QHCPKHFHSA-N 1 1 477.009 2.690 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001164777405 721351299 /nfs/dbraw/zinc/35/12/99/721351299.db2.gz GTBRTELBKKJKIM-QHCPKHFHSA-N 1 1 477.009 2.690 20 0 JFADMO COCCn1ccc2c1ncnc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777342 721353736 /nfs/dbraw/zinc/35/37/36/721353736.db2.gz GKENZWIIQUPCDP-DEOSSOPVSA-N 1 1 454.575 2.802 20 0 JFADMO O=C1CO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881554 721363740 /nfs/dbraw/zinc/36/37/40/721363740.db2.gz DTJJYWJLMOBJCV-BJKOFHAPSA-N 1 1 459.525 2.795 20 0 JFADMO O=C1CO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881554 721363746 /nfs/dbraw/zinc/36/37/46/721363746.db2.gz DTJJYWJLMOBJCV-BJKOFHAPSA-N 1 1 459.525 2.795 20 0 JFADMO COCCN1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)Cc2cccnc21 ZINC001164883959 721368775 /nfs/dbraw/zinc/36/87/75/721368775.db2.gz ANRZSWFXMSJPTH-HXUWFJFHSA-N 1 1 496.656 2.748 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N4CCSCC4)ncn3)C2)C1 ZINC001164781664 721371072 /nfs/dbraw/zinc/37/10/72/721371072.db2.gz KMKQFINZFFULKP-HSZRJFAPSA-N 1 1 458.632 2.754 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N4CCSCC4)ncn3)C2)C1 ZINC001164781664 721371075 /nfs/dbraw/zinc/37/10/75/721371075.db2.gz KMKQFINZFFULKP-HSZRJFAPSA-N 1 1 458.632 2.754 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(C)CC4)C2)C1 ZINC001164784605 721375143 /nfs/dbraw/zinc/37/51/43/721375143.db2.gz QUAVXBRTMRZEOK-QHCPKHFHSA-N 1 1 461.010 2.842 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CN(C)CC4)C2)C1 ZINC001164784605 721375145 /nfs/dbraw/zinc/37/51/45/721375145.db2.gz QUAVXBRTMRZEOK-QHCPKHFHSA-N 1 1 461.010 2.842 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cnc1Cl ZINC001164890993 721400163 /nfs/dbraw/zinc/40/01/63/721400163.db2.gz UWSQFTLWYASXSX-DYESRHJHSA-N 1 1 472.964 2.832 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891450 721410704 /nfs/dbraw/zinc/41/07/04/721410704.db2.gz WERBSVVHGLHJLO-NBGIEHNGSA-N 1 1 453.587 2.572 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164887124 721412717 /nfs/dbraw/zinc/41/27/17/721412717.db2.gz LBQIIASIWTYONG-CLOONOSVSA-N 1 1 455.603 2.721 20 0 JFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897345 721427116 /nfs/dbraw/zinc/42/71/16/721427116.db2.gz SZDXFTBMEUYNMV-BJBPREMXSA-N 1 1 453.587 2.515 20 0 JFADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1)C1CC1 ZINC001164891552 721431023 /nfs/dbraw/zinc/43/10/23/721431023.db2.gz GWJDZSIVYKSXTM-JCYRPKCISA-N 1 1 456.631 2.904 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCCC4)C3)O2)CC1 ZINC001164897950 721431397 /nfs/dbraw/zinc/43/13/97/721431397.db2.gz VFZUDHAVSYCDCY-HFZDXXHNSA-N 1 1 450.631 2.995 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001164890259 721434217 /nfs/dbraw/zinc/43/42/17/721434217.db2.gz CUTSNJCSYUCKBO-NVQXNPDNSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C3)O2)CC1 ZINC001164895358 721435882 /nfs/dbraw/zinc/43/58/82/721435882.db2.gz NWUQUTSNVDJAGU-LSYYVWMOSA-N 1 1 491.684 2.569 20 0 JFADMO COC(=O)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c2ccccc2c1OC ZINC001164900011 721442018 /nfs/dbraw/zinc/44/20/18/721442018.db2.gz ZYNSHKNNAADYKW-SIBVEZHUSA-N 1 1 468.598 2.795 20 0 JFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(NC(=O)c2ccccc2)n1 ZINC001164898703 721444194 /nfs/dbraw/zinc/44/41/94/721444194.db2.gz WPEGRNUBZFENPJ-BKMJKUGQSA-N 1 1 464.614 2.803 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(Cl)n1 ZINC001164898482 721447533 /nfs/dbraw/zinc/44/75/33/721447533.db2.gz VZXBBNSXOCANMT-JXFKEZNVSA-N 1 1 458.985 2.506 20 0 JFADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CNCC3)CC2 ZINC001164785975 721450222 /nfs/dbraw/zinc/45/02/22/721450222.db2.gz KPWAJUUGMJWYRZ-SFHVURJKSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CNCC3)CC2 ZINC001164785975 721450225 /nfs/dbraw/zinc/45/02/25/721450225.db2.gz KPWAJUUGMJWYRZ-SFHVURJKSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788647 721450704 /nfs/dbraw/zinc/45/07/04/721450704.db2.gz RZSBQUFFRTWZMC-KRWDZBQOSA-N 1 1 452.983 2.651 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164789327 721461176 /nfs/dbraw/zinc/46/11/76/721461176.db2.gz WXUHZTXDTLTNNZ-MRXNPFEDSA-N 1 1 466.985 2.851 20 0 JFADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164783603 721462270 /nfs/dbraw/zinc/46/22/70/721462270.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 1 1 457.663 2.567 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164783603 721462272 /nfs/dbraw/zinc/46/22/72/721462272.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 1 1 457.663 2.567 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164787885 721464213 /nfs/dbraw/zinc/46/42/13/721464213.db2.gz STNRLRHADASDCG-NRFANRHFSA-N 1 1 463.619 2.599 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164790681 721471160 /nfs/dbraw/zinc/47/11/60/721471160.db2.gz UTPYORPQQILBAC-JOCHJYFZSA-N 1 1 461.603 2.619 20 0 JFADMO CCOC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)Cc2cnn(C)c21 ZINC001164793905 721477023 /nfs/dbraw/zinc/47/70/23/721477023.db2.gz ZPHUYZIPUMSZSO-QUCCMNQESA-N 1 1 484.645 2.754 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)c2)CC1 ZINC001164895132 721479126 /nfs/dbraw/zinc/47/91/26/721479126.db2.gz RBUMXXQQELTONZ-YYDVJCTNSA-N 1 1 460.594 2.604 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164805570 721535481 /nfs/dbraw/zinc/53/54/81/721535481.db2.gz MILOQYZBPOCQSK-NJYVYQBISA-N 1 1 466.611 2.791 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164805570 721535483 /nfs/dbraw/zinc/53/54/83/721535483.db2.gz MILOQYZBPOCQSK-NJYVYQBISA-N 1 1 466.611 2.791 20 0 JFADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904629 721552449 /nfs/dbraw/zinc/55/24/49/721552449.db2.gz DZJVINFESPGYLA-PZJWPPBQSA-N 1 1 453.566 2.553 20 0 JFADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904625 721552800 /nfs/dbraw/zinc/55/28/00/721552800.db2.gz DZJVINFESPGYLA-CTNGQTDRSA-N 1 1 453.566 2.553 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC(C)=O ZINC001164805399 721568629 /nfs/dbraw/zinc/56/86/29/721568629.db2.gz NNPSUJFGSGUJDY-SLSDLSHTSA-N 1 1 491.548 2.744 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1C ZINC001164802313 721574230 /nfs/dbraw/zinc/57/42/30/721574230.db2.gz IAQUYNMMBKKEEO-YTQUADARSA-N 1 1 470.961 2.672 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1C ZINC001164802313 721574231 /nfs/dbraw/zinc/57/42/31/721574231.db2.gz IAQUYNMMBKKEEO-YTQUADARSA-N 1 1 470.961 2.672 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C1=O ZINC001164902937 721575214 /nfs/dbraw/zinc/57/52/14/721575214.db2.gz NPXHBAQOVIJHIA-LMMKCTJWSA-N 1 1 469.655 2.953 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1=O ZINC001164901325 721575443 /nfs/dbraw/zinc/57/54/43/721575443.db2.gz DYJVWPWETGRCDL-FUHWJXTLSA-N 1 1 455.628 2.707 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164804135 721580785 /nfs/dbraw/zinc/58/07/85/721580785.db2.gz IYPZQSWLHCHWOI-AOHZBQACSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164804135 721580788 /nfs/dbraw/zinc/58/07/88/721580788.db2.gz IYPZQSWLHCHWOI-AOHZBQACSA-N 1 1 473.643 2.812 20 0 JFADMO Cc1cccc(CN2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@@H]3C2=O)n1 ZINC001164800826 721603274 /nfs/dbraw/zinc/60/32/74/721603274.db2.gz OQXCCILHDCREMC-ZEQRLZLVSA-N 1 1 465.598 2.512 20 0 JFADMO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805614 721607509 /nfs/dbraw/zinc/60/75/09/721607509.db2.gz PYUIBJPPZUNXAN-BKMJKUGQSA-N 1 1 460.582 2.686 20 0 JFADMO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805614 721607511 /nfs/dbraw/zinc/60/75/11/721607511.db2.gz PYUIBJPPZUNXAN-BKMJKUGQSA-N 1 1 460.582 2.686 20 0 JFADMO CN1c2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N2CCC[C@@H]2C1=O ZINC001164905657 721706401 /nfs/dbraw/zinc/70/64/01/721706401.db2.gz IHEATPMMGXTNTM-JPYJTQIMSA-N 1 1 469.540 2.555 20 0 JFADMO O=S(=O)(c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCCC1 ZINC001164913860 721724890 /nfs/dbraw/zinc/72/48/90/721724890.db2.gz YZWHGAKTBQOBJJ-JOCHJYFZSA-N 1 1 477.581 2.999 20 0 JFADMO O=C(NC1CCOCC1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913433 721730334 /nfs/dbraw/zinc/73/03/34/721730334.db2.gz VRUZERLACJCQEK-QHCPKHFHSA-N 1 1 472.540 2.518 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912591 721731294 /nfs/dbraw/zinc/73/12/94/721731294.db2.gz OCNHIARVKPTHEC-GOSISDBHSA-N 1 1 457.934 2.515 20 0 JFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001164909410 721751614 /nfs/dbraw/zinc/75/16/14/721751614.db2.gz RQMGXRRXYQXEKP-UHFFFAOYSA-N 1 1 452.540 2.544 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013570 721759928 /nfs/dbraw/zinc/75/99/28/721759928.db2.gz NWSNBGWEBIGGDZ-QFIPXVFZSA-N 1 1 450.587 2.930 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165014824 721762778 /nfs/dbraw/zinc/76/27/78/721762778.db2.gz JWGJKRADVRZXJA-SQMBMXPBSA-N 1 1 472.630 2.511 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165014823 721762783 /nfs/dbraw/zinc/76/27/83/721762783.db2.gz JWGJKRADVRZXJA-NKRSRWBGSA-N 1 1 472.630 2.511 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165014826 721763118 /nfs/dbraw/zinc/76/31/18/721763118.db2.gz JWGJKRADVRZXJA-WJFJTQNHSA-N 1 1 472.630 2.511 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015545 721766302 /nfs/dbraw/zinc/76/63/02/721766302.db2.gz QWDTZIURJVLZMG-NRFANRHFSA-N 1 1 462.602 2.551 20 0 JFADMO COc1cc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164912764 721778166 /nfs/dbraw/zinc/77/81/66/721778166.db2.gz POZOEOYIFRIWIW-DEOSSOPVSA-N 1 1 485.972 2.803 20 0 JFADMO COc1cc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164912764 721778169 /nfs/dbraw/zinc/77/81/69/721778169.db2.gz POZOEOYIFRIWIW-DEOSSOPVSA-N 1 1 485.972 2.803 20 0 JFADMO COc1cc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164912767 721778358 /nfs/dbraw/zinc/77/83/58/721778358.db2.gz POZOEOYIFRIWIW-XMMPIXPASA-N 1 1 485.972 2.803 20 0 JFADMO COc1cc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OC ZINC001164912767 721778360 /nfs/dbraw/zinc/77/83/60/721778360.db2.gz POZOEOYIFRIWIW-XMMPIXPASA-N 1 1 485.972 2.803 20 0 JFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)C2)cc1 ZINC001164910205 721780319 /nfs/dbraw/zinc/78/03/19/721780319.db2.gz APMFTASVZBAHJR-MUUNZHRXSA-N 1 1 486.620 2.538 20 0 JFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)C2)cc1 ZINC001164910205 721780323 /nfs/dbraw/zinc/78/03/23/721780323.db2.gz APMFTASVZBAHJR-MUUNZHRXSA-N 1 1 486.620 2.538 20 0 JFADMO COC(=O)c1cc2c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c(Cl)cc-2n1 ZINC001164916070 721790637 /nfs/dbraw/zinc/79/06/37/721790637.db2.gz OTYLOXGVKREZPX-HSZRJFAPSA-N 1 1 471.945 2.506 20 0 JFADMO COC(=O)c1cc2c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c(Cl)cc-2n1 ZINC001164916070 721790640 /nfs/dbraw/zinc/79/06/40/721790640.db2.gz OTYLOXGVKREZPX-HSZRJFAPSA-N 1 1 471.945 2.506 20 0 JFADMO CC(C)(C)OC(=O)Nc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2[nH]cnc21 ZINC001164915684 721792277 /nfs/dbraw/zinc/79/22/77/721792277.db2.gz XPPHRYOPCUVZQG-RUZDIDTESA-N 1 1 495.584 2.808 20 0 JFADMO CC(C)(C)OC(=O)Nc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2[nH]cnc21 ZINC001164915684 721792279 /nfs/dbraw/zinc/79/22/79/721792279.db2.gz XPPHRYOPCUVZQG-RUZDIDTESA-N 1 1 495.584 2.808 20 0 JFADMO Clc1nc2c(Cl)nccc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914514 721793430 /nfs/dbraw/zinc/79/34/30/721793430.db2.gz OLNQRXHSUKJKRU-OAQYLSRUSA-N 1 1 461.353 2.834 20 0 JFADMO Clc1nc2c(Cl)nccc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914514 721793432 /nfs/dbraw/zinc/79/34/32/721793432.db2.gz OLNQRXHSUKJKRU-OAQYLSRUSA-N 1 1 461.353 2.834 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165025490 721817971 /nfs/dbraw/zinc/81/79/71/721817971.db2.gz MXRVRACDXAEKEL-ACIOBRDBSA-N 1 1 464.614 2.998 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027063 721822651 /nfs/dbraw/zinc/82/26/51/721822651.db2.gz RNTRDTOUURMJHS-JFZQVSNESA-N 1 1 457.600 2.523 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@H]21 ZINC001165021428 721827225 /nfs/dbraw/zinc/82/72/25/721827225.db2.gz FPLBXCHTQDTMQW-QTGUNEKASA-N 1 1 450.587 2.517 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1=O ZINC001164922567 721844219 /nfs/dbraw/zinc/84/42/19/721844219.db2.gz RAMMHAUMZXAADX-AZUAARDMSA-N 1 1 499.681 2.866 20 0 JFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929174 721878929 /nfs/dbraw/zinc/87/89/29/721878929.db2.gz AGZYJLUXUWOSGE-VQTJNVASSA-N 1 1 470.687 2.617 20 0 JFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929174 721878931 /nfs/dbraw/zinc/87/89/31/721878931.db2.gz AGZYJLUXUWOSGE-VQTJNVASSA-N 1 1 470.687 2.617 20 0 JFADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931016 721883976 /nfs/dbraw/zinc/88/39/76/721883976.db2.gz DZHOCZZUTQRIAP-RBUKOAKNSA-N 1 1 467.998 2.890 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)CC3)C2)cc1 ZINC001164939979 721921217 /nfs/dbraw/zinc/92/12/17/721921217.db2.gz XQCFAQWXGJFUJN-UHFFFAOYSA-N 1 1 450.583 2.734 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)CC3)C2)cc1 ZINC001164940558 721926791 /nfs/dbraw/zinc/92/67/91/721926791.db2.gz TWTQAQZGFHOPEA-NRFANRHFSA-N 1 1 462.598 2.602 20 0 JFADMO NC(=S)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c2sccc21 ZINC001164946429 721981875 /nfs/dbraw/zinc/98/18/75/721981875.db2.gz FMZOCNLKGMOGJY-UHFFFAOYSA-N 1 1 451.621 2.902 20 0 JFADMO NC(=S)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c2sccc21 ZINC001164946429 721981877 /nfs/dbraw/zinc/98/18/77/721981877.db2.gz FMZOCNLKGMOGJY-UHFFFAOYSA-N 1 1 451.621 2.902 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)n1 ZINC001164954792 721989823 /nfs/dbraw/zinc/98/98/23/721989823.db2.gz XFFIXGYZBBIPDD-MSOLQXFVSA-N 1 1 480.704 2.714 20 0 JFADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccnc(N4CC[NH+](C)CC4)n2)C3)n1 ZINC001164957999 722027335 /nfs/dbraw/zinc/02/73/35/722027335.db2.gz CZXZTMUZUNCUNG-RDGATRHJSA-N 1 1 452.603 2.524 20 0 JFADMO Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccnc(N4CC[NH+](C)CC4)n2)C3)n1 ZINC001164957998 722027432 /nfs/dbraw/zinc/02/74/32/722027432.db2.gz CZXZTMUZUNCUNG-RCZVLFRGSA-N 1 1 452.603 2.524 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164961482 722059767 /nfs/dbraw/zinc/05/97/67/722059767.db2.gz KSWFSVGNIXCVRE-UHFFFAOYSA-N 1 1 473.643 2.626 20 0 JFADMO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C(=O)OCC ZINC001164966018 722062331 /nfs/dbraw/zinc/06/23/31/722062331.db2.gz NIDBIMOGBAAXKY-UHFFFAOYSA-N 1 1 482.581 2.949 20 0 JFADMO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966352 722062551 /nfs/dbraw/zinc/06/25/51/722062551.db2.gz RLAPEXBSEDCDCO-KRWDZBQOSA-N 1 1 459.978 2.921 20 0 JFADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164972299 722079502 /nfs/dbraw/zinc/07/95/02/722079502.db2.gz ZZWZGKJVMPOMGS-MRDQGFSESA-N 1 1 496.681 2.729 20 0 JFADMO CC(=O)N1[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164968960 722080329 /nfs/dbraw/zinc/08/03/29/722080329.db2.gz GSHBTLYPSYDMNH-MVERNJQCSA-N 1 1 471.609 2.747 20 0 JFADMO CC(=O)N1[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164968960 722080330 /nfs/dbraw/zinc/08/03/30/722080330.db2.gz GSHBTLYPSYDMNH-MVERNJQCSA-N 1 1 471.609 2.747 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@@H]4C3)c2)CC1 ZINC001164970349 722082396 /nfs/dbraw/zinc/08/23/96/722082396.db2.gz WUXGYAAEPUKXIS-DNQXCXABSA-N 1 1 468.573 2.948 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4nccn4C)[C@H]4OCCC[C@H]43)c2c1C ZINC001164979497 722093313 /nfs/dbraw/zinc/09/33/13/722093313.db2.gz KLTKARSKJVNRQX-WAOWUJCRSA-N 1 1 495.653 2.804 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)nc1 ZINC001164978675 722093757 /nfs/dbraw/zinc/09/37/57/722093757.db2.gz JBNHLDSBEKRSEX-ZZLPTCMGSA-N 1 1 452.603 2.918 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980303 722133430 /nfs/dbraw/zinc/13/34/30/722133430.db2.gz MPLCKHQILDRGBQ-UGKGYDQZSA-N 1 1 453.587 2.681 20 0 JFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983846 722136487 /nfs/dbraw/zinc/13/64/87/722136487.db2.gz VRURBASIQXQLLW-YJBOKZPZSA-N 1 1 451.905 2.501 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976134 722137546 /nfs/dbraw/zinc/13/75/46/722137546.db2.gz HJPPWULXDOUWGA-WBVHZDCISA-N 1 1 456.934 2.520 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976133 722137606 /nfs/dbraw/zinc/13/76/06/722137606.db2.gz HJPPWULXDOUWGA-RDJZCZTQSA-N 1 1 456.934 2.520 20 0 JFADMO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973015 722158775 /nfs/dbraw/zinc/15/87/75/722158775.db2.gz JXLPUHJPQMHYJG-WMZOPIPTSA-N 1 1 486.972 2.806 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3c(n(C)nc3C(=O)N3CCOCC3)C2)n1 ZINC001164973871 722160158 /nfs/dbraw/zinc/16/01/58/722160158.db2.gz NHCFXSULJMWABW-UHFFFAOYSA-N 1 1 483.642 2.876 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4c(n(C)nc4C(=O)N4CCOCC4)C3)c2c1C ZINC001164972218 722160188 /nfs/dbraw/zinc/16/01/88/722160188.db2.gz GZNHNUFAQHILPL-UHFFFAOYSA-N 1 1 481.626 2.630 20 0 JFADMO COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)n2)CC1 ZINC001164993208 722184151 /nfs/dbraw/zinc/18/41/51/722184151.db2.gz VPNKUAMHZXJGGG-RTWAWAEBSA-N 1 1 486.642 2.501 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995665 722205578 /nfs/dbraw/zinc/20/55/78/722205578.db2.gz OUTVPOVTIXCNMR-VWLOTQADSA-N 1 1 469.561 2.874 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Oc2ccc4c(Cl)ncnc4c2)CC3)CC1 ZINC001164997148 722235920 /nfs/dbraw/zinc/23/59/20/722235920.db2.gz MELXQLAYIYLVJI-UHFFFAOYSA-N 1 1 475.931 2.855 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c(-c5ccccc5)nsc42)CC3)CC1 ZINC001165001809 722237592 /nfs/dbraw/zinc/23/75/92/722237592.db2.gz MFKHXXNFVHJWFH-UHFFFAOYSA-N 1 1 458.595 2.900 20 0 JFADMO Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(-c2ccc(Cl)nc2)n1 ZINC001165001957 722239012 /nfs/dbraw/zinc/23/90/12/722239012.db2.gz PKOGEYWUTHBLIB-UHFFFAOYSA-N 1 1 450.978 2.647 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002749 722241853 /nfs/dbraw/zinc/24/18/53/722241853.db2.gz FVEJXHRINLQEFW-DENIHFKCSA-N 1 1 460.586 2.681 20 0 JFADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(C4)COCCN(c4ncccn4)C5)ccc3C2)cc1 ZINC001165005908 722246330 /nfs/dbraw/zinc/24/63/30/722246330.db2.gz VWXKFQXDPAVDSC-HHHXNRCGSA-N 1 1 472.593 2.542 20 0 JFADMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001263714674 1059498342 /nfs/dbraw/zinc/49/83/42/1059498342.db2.gz UNTNITXVWMTGMS-UHFFFAOYSA-N 1 1 476.396 2.971 20 0 JFADMO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001264017295 1059505899 /nfs/dbraw/zinc/50/58/99/1059505899.db2.gz JEQBPUWQKSVTCM-KDYSTLNUSA-N 1 1 473.577 2.909 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(CNC(=O)C(C)(C)C)ccc2Cl)CC1 ZINC001264510117 1059601137 /nfs/dbraw/zinc/60/11/37/1059601137.db2.gz GXGMMCMCDSUPCO-UHFFFAOYSA-N 1 1 451.011 2.723 20 0 JFADMO CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1(C)C ZINC001264708305 1059654262 /nfs/dbraw/zinc/65/42/62/1059654262.db2.gz OESCPGNPHVWYJN-RUZDIDTESA-N 1 1 459.587 2.722 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3nnn(-c4ccccc4)c3C(F)F)cc2)CC1 ZINC001264765041 1059667075 /nfs/dbraw/zinc/66/70/75/1059667075.db2.gz HHXPEHNXYGSPKT-UHFFFAOYSA-N 1 1 454.481 2.774 20 0 JFADMO COc1cccc(-c2cc(C(=O)Nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3OC)on2)c1 ZINC001264826559 1059696924 /nfs/dbraw/zinc/69/69/24/1059696924.db2.gz RXTNZQHDJDAGIM-UHFFFAOYSA-N 1 1 450.495 2.999 20 0 JFADMO COC(=O)Nc1ccc(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)c(C)c1 ZINC001264953603 1059737996 /nfs/dbraw/zinc/73/79/96/1059737996.db2.gz MGFSCLUXLWNFPO-UHFFFAOYSA-N 1 1 453.543 2.636 20 0 JFADMO COc1ccc(OC(C)(C)C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cc1 ZINC001264953630 1059738024 /nfs/dbraw/zinc/73/80/24/1059738024.db2.gz NIGWBZMTEIHECV-UHFFFAOYSA-N 1 1 454.571 2.702 20 0 JFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001264953939 1059738208 /nfs/dbraw/zinc/73/82/08/1059738208.db2.gz ZSEAZULPZBVMFC-RBUKOAKNSA-N 1 1 458.603 2.593 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCc3ccc4c(c3)OC(F)(F)O4)c2)C1 ZINC001265063820 1059760316 /nfs/dbraw/zinc/76/03/16/1059760316.db2.gz QUJSKTKNYKNLJU-LJQANCHMSA-N 1 1 459.493 2.954 20 0 JFADMO CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247643 1059805838 /nfs/dbraw/zinc/80/58/38/1059805838.db2.gz PALQDRQWCGSUSK-OFNKIYASSA-N 1 1 450.539 2.605 20 0 JFADMO CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001265393721 1059841219 /nfs/dbraw/zinc/84/12/19/1059841219.db2.gz GRMUJHSJQJDXHG-LEWJYISDSA-N 1 1 450.583 2.765 20 0 JFADMO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC001265393905 1059841792 /nfs/dbraw/zinc/84/17/92/1059841792.db2.gz MDKJNSMYLRNRLF-MHECFPHRSA-N 1 1 452.555 2.524 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400584 1059843874 /nfs/dbraw/zinc/84/38/74/1059843874.db2.gz UYFBAAHFMISZAV-GCJKJVERSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400584 1059843894 /nfs/dbraw/zinc/84/38/94/1059843894.db2.gz UYFBAAHFMISZAV-GCJKJVERSA-N 1 1 457.596 2.773 20 0 JFADMO C[C@H](NC(=O)c1cncc(I)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400116 1059844033 /nfs/dbraw/zinc/84/40/33/1059844033.db2.gz LSGNDWGKJAPFKA-KBXCAEBGSA-N 1 1 451.308 2.706 20 0 JFADMO C[C@H](NC(=O)c1cncc(I)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400116 1059844054 /nfs/dbraw/zinc/84/40/54/1059844054.db2.gz LSGNDWGKJAPFKA-KBXCAEBGSA-N 1 1 451.308 2.706 20 0 JFADMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC001265404410 1059845585 /nfs/dbraw/zinc/84/55/85/1059845585.db2.gz QPVACPXHRIHVFX-PIKOESSRSA-N 1 1 451.633 2.964 20 0 JFADMO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001265581254 1059891069 /nfs/dbraw/zinc/89/10/69/1059891069.db2.gz UJHRHWCEDUXYIG-KSFYIVLOSA-N 1 1 450.942 2.627 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC001265661029 1059905981 /nfs/dbraw/zinc/90/59/81/1059905981.db2.gz MCTSTMVXNNCHAM-HNNXBMFYSA-N 1 1 457.376 2.671 20 0 JFADMO C[C@H](CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC001265747343 1059920433 /nfs/dbraw/zinc/92/04/33/1059920433.db2.gz HRZACTRGRDCTFX-QGZVFWFLSA-N 1 1 451.614 2.743 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC001265984549 1059953312 /nfs/dbraw/zinc/95/33/12/1059953312.db2.gz AHPBOBQFYABWNN-KDOFPFPSSA-N 1 1 457.356 2.730 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)ccc1N1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001265984549 1059953331 /nfs/dbraw/zinc/95/33/31/1059953331.db2.gz AHPBOBQFYABWNN-KDOFPFPSSA-N 1 1 457.356 2.730 20 0 JFADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001286839671 1061097992 /nfs/dbraw/zinc/09/79/92/1061097992.db2.gz VKOULBMXMIKSDB-XGEHXYRQSA-N 1 1 460.648 2.912 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286840010 1061099002 /nfs/dbraw/zinc/09/90/02/1061099002.db2.gz ALWPYRDOFFTWIH-VWLOTQADSA-N 1 1 487.649 2.751 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286840009 1061099122 /nfs/dbraw/zinc/09/91/22/1061099122.db2.gz ALWPYRDOFFTWIH-RUZDIDTESA-N 1 1 487.649 2.751 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286844460 1061133162 /nfs/dbraw/zinc/13/31/62/1061133162.db2.gz QNUTVYFREWVZMA-VWLOTQADSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286846357 1061149766 /nfs/dbraw/zinc/14/97/66/1061149766.db2.gz ZCNAQSNQDPYLQY-SYVJQLTCSA-N 1 1 490.693 2.888 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286847917 1061162121 /nfs/dbraw/zinc/16/21/21/1061162121.db2.gz DNNICVWUDPOMLK-PTUXOGIPSA-N 1 1 454.619 2.607 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286849387 1061171564 /nfs/dbraw/zinc/17/15/64/1061171564.db2.gz MQZDIXZUOWYVTP-ZDXQCDESSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286852417 1061190213 /nfs/dbraw/zinc/19/02/13/1061190213.db2.gz WPANBCUVNOQJJJ-TUACAJSNSA-N 1 1 468.646 2.997 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286852971 1061193212 /nfs/dbraw/zinc/19/32/12/1061193212.db2.gz VWNOFVYYKYWJTK-FUHWJXTLSA-N 1 1 460.573 2.934 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286855007 1061206805 /nfs/dbraw/zinc/20/68/05/1061206805.db2.gz XJZIGLCCBHUPDP-HKUYNNGSSA-N 1 1 458.582 2.784 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCCNS(C)(=O)=O)o1 ZINC001289585417 1061229325 /nfs/dbraw/zinc/22/93/25/1061229325.db2.gz MNXCBADHESCYEX-AZUAARDMSA-N 1 1 478.663 2.877 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCCNS(C)(=O)=O)o1 ZINC001289585421 1061229415 /nfs/dbraw/zinc/22/94/15/1061229415.db2.gz MNXCBADHESCYEX-QUCCMNQESA-N 1 1 478.663 2.877 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC001289593358 1061234938 /nfs/dbraw/zinc/23/49/38/1061234938.db2.gz BGMMODSTGGKCTD-HXUWFJFHSA-N 1 1 499.660 2.674 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)(C)C)o1 ZINC001289593193 1061235122 /nfs/dbraw/zinc/23/51/22/1061235122.db2.gz YMIHFNUAHHJWFW-UHFFFAOYSA-N 1 1 458.607 2.796 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)(C)C)o1 ZINC001289593193 1061235143 /nfs/dbraw/zinc/23/51/43/1061235143.db2.gz YMIHFNUAHHJWFW-UHFFFAOYSA-N 1 1 458.607 2.796 20 0 JFADMO Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC001289594699 1061237171 /nfs/dbraw/zinc/23/71/71/1061237171.db2.gz SMOXLKUYFDKQOE-QGZVFWFLSA-N 1 1 464.408 2.963 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001289597902 1061241532 /nfs/dbraw/zinc/24/15/32/1061241532.db2.gz FTCKZXRPXKMIGC-OAHLLOKOSA-N 1 1 472.391 2.888 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCC[N@@H+](C)Cc2ccccc2)o1 ZINC001289600714 1061245486 /nfs/dbraw/zinc/24/54/86/1061245486.db2.gz NWODOKBRFJRXAZ-UHFFFAOYSA-N 1 1 479.629 2.579 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001286867666 1061253866 /nfs/dbraw/zinc/25/38/66/1061253866.db2.gz SVZYLSYDVDMXMZ-ZFGGDYGUSA-N 1 1 495.672 2.774 20 0 JFADMO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+](C)C2CC2)o1 ZINC001289616361 1061256855 /nfs/dbraw/zinc/25/68/55/1061256855.db2.gz ZJZDAXMMJMEHBV-LESCRADOSA-N 1 1 450.609 2.614 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC12CCCCC2 ZINC001286869789 1061262829 /nfs/dbraw/zinc/26/28/29/1061262829.db2.gz HKOOLIUCFYIEAA-QFIPXVFZSA-N 1 1 487.693 2.716 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001286870485 1061265915 /nfs/dbraw/zinc/26/59/15/1061265915.db2.gz IPPCZPOCXWOCPS-XUZZJYLKSA-N 1 1 495.672 2.547 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870832 1061267819 /nfs/dbraw/zinc/26/78/19/1061267819.db2.gz KQXXABDSYKIAJG-OFNKIYASSA-N 1 1 471.650 2.715 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286871159 1061270323 /nfs/dbraw/zinc/27/03/23/1061270323.db2.gz MJMVVDHDEYFCQN-QPPBQGQZSA-N 1 1 498.676 2.567 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@@H]2C)CC1 ZINC001286872143 1061276539 /nfs/dbraw/zinc/27/65/39/1061276539.db2.gz SITBMRXEDXFZIT-PXNSSMCTSA-N 1 1 494.587 2.897 20 0 JFADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC001289655965 1061279111 /nfs/dbraw/zinc/27/91/11/1061279111.db2.gz XFIGOLAYJCDAAY-OAQYLSRUSA-N 1 1 454.619 2.630 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286872948 1061283113 /nfs/dbraw/zinc/28/31/13/1061283113.db2.gz ZEWBJKJCNJRTFR-AUSIDOKSSA-N 1 1 468.646 3.000 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872949 1061283165 /nfs/dbraw/zinc/28/31/65/1061283165.db2.gz ZEWBJKJCNJRTFR-CVDCTZTESA-N 1 1 468.646 3.000 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001286872969 1061283776 /nfs/dbraw/zinc/28/37/76/1061283776.db2.gz ZLBVUXLEZNYKJX-KNQAVFIVSA-N 1 1 471.675 2.861 20 0 JFADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001289663618 1061286095 /nfs/dbraw/zinc/28/60/95/1061286095.db2.gz WVMKEWFBPZQDDD-GOSISDBHSA-N 1 1 474.656 2.629 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286876762 1061294368 /nfs/dbraw/zinc/29/43/68/1061294368.db2.gz MXYCILDMNFYAGB-HNNXBMFYSA-N 1 1 497.463 2.548 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001286882788 1061310901 /nfs/dbraw/zinc/31/09/01/1061310901.db2.gz IZDDBYPMWZCNBN-SFTDATJTSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001286882787 1061310966 /nfs/dbraw/zinc/31/09/66/1061310966.db2.gz IZDDBYPMWZCNBN-RTWAWAEBSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286882938 1061312437 /nfs/dbraw/zinc/31/24/37/1061312437.db2.gz KPVISCNEMHRLDI-JOCHJYFZSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001289700610 1061313457 /nfs/dbraw/zinc/31/34/57/1061313457.db2.gz VZBBIOLTBFNBLU-QHCPKHFHSA-N 1 1 486.636 2.924 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001289704607 1061316526 /nfs/dbraw/zinc/31/65/26/1061316526.db2.gz MZDABGJEWKOZBR-LJQANCHMSA-N 1 1 458.582 2.566 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289721646 1061328566 /nfs/dbraw/zinc/32/85/66/1061328566.db2.gz NGKIDJMFJGPWQZ-PXNSSMCTSA-N 1 1 490.674 2.748 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289721646 1061328583 /nfs/dbraw/zinc/32/85/83/1061328583.db2.gz NGKIDJMFJGPWQZ-PXNSSMCTSA-N 1 1 490.674 2.748 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001286886422 1061328741 /nfs/dbraw/zinc/32/87/41/1061328741.db2.gz CTQGPPFRROHNQY-CTNGQTDRSA-N 1 1 491.681 2.695 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1C ZINC001289721674 1061329094 /nfs/dbraw/zinc/32/90/94/1061329094.db2.gz ODOCGZURGBWADJ-SFHVURJKSA-N 1 1 495.653 2.967 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1C ZINC001289721674 1061329115 /nfs/dbraw/zinc/32/91/15/1061329115.db2.gz ODOCGZURGBWADJ-SFHVURJKSA-N 1 1 495.653 2.967 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C[C@H]2C)CC1 ZINC001286887190 1061334671 /nfs/dbraw/zinc/33/46/71/1061334671.db2.gz OOXFCRQQHXSTQJ-DNVCBOLYSA-N 1 1 478.439 2.681 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2cn[nH]c2)cc1C ZINC001289726871 1061335734 /nfs/dbraw/zinc/33/57/34/1061335734.db2.gz KWTLIRIZYVNCAP-UHFFFAOYSA-N 1 1 480.617 2.660 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2cn[nH]c2)cc1C ZINC001289726871 1061335754 /nfs/dbraw/zinc/33/57/54/1061335754.db2.gz KWTLIRIZYVNCAP-UHFFFAOYSA-N 1 1 480.617 2.660 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC001289727894 1061337007 /nfs/dbraw/zinc/33/70/07/1061337007.db2.gz VEXSWVHILPBIMT-FQEVSTJZSA-N 1 1 481.645 2.840 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)cc1C ZINC001289727901 1061337049 /nfs/dbraw/zinc/33/70/49/1061337049.db2.gz VJNOVTOULOERBW-VWPQPMDRSA-N 1 1 470.618 2.872 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H]2CCCO2)cc1C ZINC001289727901 1061337070 /nfs/dbraw/zinc/33/70/70/1061337070.db2.gz VJNOVTOULOERBW-VWPQPMDRSA-N 1 1 470.618 2.872 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289728069 1061337861 /nfs/dbraw/zinc/33/78/61/1061337861.db2.gz YWPICQJAASYVRK-IBGZPJMESA-N 1 1 476.647 2.502 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289728069 1061337881 /nfs/dbraw/zinc/33/78/81/1061337881.db2.gz YWPICQJAASYVRK-IBGZPJMESA-N 1 1 476.647 2.502 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001286887775 1061338047 /nfs/dbraw/zinc/33/80/47/1061338047.db2.gz UQLRVISYVVFSJT-APWZRJJASA-N 1 1 467.540 2.615 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2CCOCC2)cc1C ZINC001289728902 1061338545 /nfs/dbraw/zinc/33/85/45/1061338545.db2.gz JVAMHPAMAIDVGJ-FQEVSTJZSA-N 1 1 470.618 2.873 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cc(F)c(F)c3F)C[C@H]2C)CC1 ZINC001286888014 1061339388 /nfs/dbraw/zinc/33/93/88/1061339388.db2.gz WBMIYMUWSBABKI-KUHUBIRLSA-N 1 1 482.526 2.995 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cc(F)c(F)c3F)C[C@@H]2C)CC1 ZINC001286888015 1061339458 /nfs/dbraw/zinc/33/94/58/1061339458.db2.gz WBMIYMUWSBABKI-LIRRHRJNSA-N 1 1 482.526 2.995 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286888402 1061341094 /nfs/dbraw/zinc/34/10/94/1061341094.db2.gz YKHXSSRBOFLMJN-WMZHIEFXSA-N 1 1 484.693 2.759 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3Cc3cccc(OCC(C)C)c3)C[C@H]2C)CC1 ZINC001286888458 1061341601 /nfs/dbraw/zinc/34/16/01/1061341601.db2.gz YYJCAJCTHSIEAJ-DVECYGJZSA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001286888536 1061341643 /nfs/dbraw/zinc/34/16/43/1061341643.db2.gz BMFONQBHFJEPAL-BEFAXECRSA-N 1 1 466.508 2.505 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001286888629 1061342201 /nfs/dbraw/zinc/34/22/01/1061342201.db2.gz ZTYVRUCQIRFUGT-URXFXBBRSA-N 1 1 482.673 2.603 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC(Cn4ccnn4)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289732468 1061342417 /nfs/dbraw/zinc/34/24/17/1061342417.db2.gz GAFFHMNISGCZHD-UHFFFAOYSA-N 1 1 479.633 2.996 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289732453 1061342546 /nfs/dbraw/zinc/34/25/46/1061342546.db2.gz FOSAZOSVPIGDBD-QFIPXVFZSA-N 1 1 483.661 2.646 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286888633 1061342531 /nfs/dbraw/zinc/34/25/31/1061342531.db2.gz ZUHWGNITVLHVSW-PXNSSMCTSA-N 1 1 490.052 2.797 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286888632 1061342571 /nfs/dbraw/zinc/34/25/71/1061342571.db2.gz ZUHWGNITVLHVSW-FXAWDEMLSA-N 1 1 490.052 2.797 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001289733505 1061344232 /nfs/dbraw/zinc/34/42/32/1061344232.db2.gz UNWBRKSHDJCGNM-UQBPGWFLSA-N 1 1 479.585 2.745 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001286889635 1061349728 /nfs/dbraw/zinc/34/97/28/1061349728.db2.gz VMGXNQMRKMLESL-DUXKGJEZSA-N 1 1 457.623 2.849 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001289740748 1061355107 /nfs/dbraw/zinc/35/51/07/1061355107.db2.gz PEZMXAWGYSCVRW-FPOVZHCZSA-N 1 1 481.645 2.935 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001289740750 1061355200 /nfs/dbraw/zinc/35/52/00/1061355200.db2.gz PEZMXAWGYSCVRW-TZIWHRDSSA-N 1 1 481.645 2.935 20 0 JFADMO Cc1c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)cnn1C ZINC001289743496 1061360560 /nfs/dbraw/zinc/36/05/60/1061360560.db2.gz PKYVCJLSIPRTLV-UHFFFAOYSA-N 1 1 494.644 2.784 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CCCO2)cc1C ZINC001289744559 1061362663 /nfs/dbraw/zinc/36/26/63/1061362663.db2.gz ZMPACRVLVCFXMJ-QFIPXVFZSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289746326 1061363642 /nfs/dbraw/zinc/36/36/42/1061363642.db2.gz GWDUVCJMOQUHNH-RTWAWAEBSA-N 1 1 470.618 2.873 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCO[C@H](C)C2)CC1 ZINC001286892299 1061364010 /nfs/dbraw/zinc/36/40/10/1061364010.db2.gz USRLEKHQUBHRPG-OAHLLOKOSA-N 1 1 467.401 2.641 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748034 1061367414 /nfs/dbraw/zinc/36/74/14/1061367414.db2.gz WNCKLUBJIMUQCI-IXFSTUDKSA-N 1 1 458.632 2.544 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001289750678 1061371952 /nfs/dbraw/zinc/37/19/52/1061371952.db2.gz JUOZYAKBWBVUDB-IBGZPJMESA-N 1 1 476.585 2.793 20 0 JFADMO CC(=O)Nc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001286896179 1061378480 /nfs/dbraw/zinc/37/84/80/1061378480.db2.gz RTQDRGMWEUNLAQ-NRFANRHFSA-N 1 1 470.618 2.583 20 0 JFADMO CC(=O)Nc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001286896181 1061378520 /nfs/dbraw/zinc/37/85/20/1061378520.db2.gz RTQDRGMWEUNLAQ-OAQYLSRUSA-N 1 1 470.618 2.583 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001289756009 1061378865 /nfs/dbraw/zinc/37/88/65/1061378865.db2.gz ICWRRPTYRHGWMW-OAQYLSRUSA-N 1 1 481.645 2.904 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286897973 1061383940 /nfs/dbraw/zinc/38/39/40/1061383940.db2.gz UPKVAQCTIYQXLF-LAXGTINGSA-N 1 1 496.660 2.929 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289786248 1061410836 /nfs/dbraw/zinc/41/08/36/1061410836.db2.gz DUUAVIKUWWLADW-SFHVURJKSA-N 1 1 463.648 2.687 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289788293 1061414419 /nfs/dbraw/zinc/41/44/19/1061414419.db2.gz TXQHQXNEJADJIL-UHFFFAOYSA-N 1 1 486.661 2.875 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001289788293 1061414428 /nfs/dbraw/zinc/41/44/28/1061414428.db2.gz TXQHQXNEJADJIL-UHFFFAOYSA-N 1 1 486.661 2.875 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286905304 1061418204 /nfs/dbraw/zinc/41/82/04/1061418204.db2.gz MWGOGTHKAJWRAY-PZJWPPBQSA-N 1 1 482.633 2.685 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001286906842 1061431945 /nfs/dbraw/zinc/43/19/45/1061431945.db2.gz NCEQWOQFDIZAIV-GOSISDBHSA-N 1 1 464.973 2.565 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286906770 1061431968 /nfs/dbraw/zinc/43/19/68/1061431968.db2.gz GNPASZCMJXJAER-LJQANCHMSA-N 1 1 492.571 2.762 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286906770 1061431977 /nfs/dbraw/zinc/43/19/77/1061431977.db2.gz GNPASZCMJXJAER-LJQANCHMSA-N 1 1 492.571 2.762 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCCCO)cc1C ZINC001289803917 1061440832 /nfs/dbraw/zinc/44/08/32/1061440832.db2.gz WMQPWLCOEWSOEJ-VWLOTQADSA-N 1 1 457.619 2.938 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001289805477 1061442870 /nfs/dbraw/zinc/44/28/70/1061442870.db2.gz MKHMTFMZGMORIS-LJQANCHMSA-N 1 1 490.674 2.508 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001286910204 1061456286 /nfs/dbraw/zinc/45/62/86/1061456286.db2.gz DGSCFAAKZRUWJN-VWNXMTODSA-N 1 1 484.645 2.627 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289812939 1061463810 /nfs/dbraw/zinc/46/38/10/1061463810.db2.gz XWEGBHDUZVSCAR-CTNGQTDRSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001289814478 1061469461 /nfs/dbraw/zinc/46/94/61/1061469461.db2.gz SVURHOISMBXZAF-KNQAVFIVSA-N 1 1 484.645 2.534 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001286912396 1061469677 /nfs/dbraw/zinc/46/96/77/1061469677.db2.gz KRVXFESUNGOBFC-XMMPIXPASA-N 1 1 461.614 2.891 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286913270 1061473063 /nfs/dbraw/zinc/47/30/63/1061473063.db2.gz UEHVEGJPEFZUHO-QFIPXVFZSA-N 1 1 484.645 2.690 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286913270 1061473073 /nfs/dbraw/zinc/47/30/73/1061473073.db2.gz UEHVEGJPEFZUHO-QFIPXVFZSA-N 1 1 484.645 2.690 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001289818644 1061476202 /nfs/dbraw/zinc/47/62/02/1061476202.db2.gz GQKLFXHEDAUZPR-UHFFFAOYSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001286915454 1061493073 /nfs/dbraw/zinc/49/30/73/1061493073.db2.gz QGSVKARWZCFNHN-QHCPKHFHSA-N 1 1 454.619 2.511 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCC(C)(C)O)cc1C ZINC001289825525 1061496826 /nfs/dbraw/zinc/49/68/26/1061496826.db2.gz BJTIFYGVLVJBJL-QFIPXVFZSA-N 1 1 457.619 2.936 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001289826531 1061502073 /nfs/dbraw/zinc/50/20/73/1061502073.db2.gz XRIRQIZGYQCNEF-UHFFFAOYSA-N 1 1 496.578 2.961 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001289826531 1061502093 /nfs/dbraw/zinc/50/20/93/1061502093.db2.gz XRIRQIZGYQCNEF-UHFFFAOYSA-N 1 1 496.578 2.961 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289827683 1061503229 /nfs/dbraw/zinc/50/32/29/1061503229.db2.gz JVCXORXLAPBWRP-FYYLOGMGSA-N 1 1 457.619 2.995 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001286917884 1061504328 /nfs/dbraw/zinc/50/43/28/1061504328.db2.gz ARXWJAGNXMXARB-UHFFFAOYSA-N 1 1 467.662 2.632 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286918448 1061505709 /nfs/dbraw/zinc/50/57/09/1061505709.db2.gz FDSXLUWOQXBKBI-HSZRJFAPSA-N 1 1 489.064 2.984 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918594 1061506184 /nfs/dbraw/zinc/50/61/84/1061506184.db2.gz RPQIHUHLRZASQY-HDICACEKSA-N 1 1 458.582 2.688 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286919026 1061507978 /nfs/dbraw/zinc/50/79/78/1061507978.db2.gz KULUDHMTWKIHSL-LJQANCHMSA-N 1 1 472.609 2.614 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286920075 1061512487 /nfs/dbraw/zinc/51/24/87/1061512487.db2.gz ZRPBTMUJQNXKSC-HXUWFJFHSA-N 1 1 461.614 2.889 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840601 1061515472 /nfs/dbraw/zinc/51/54/72/1061515472.db2.gz FOAGRDVWVOCMEV-XMMPIXPASA-N 1 1 456.635 2.595 20 0 JFADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@@H]2C1 ZINC001289852182 1061524480 /nfs/dbraw/zinc/52/44/80/1061524480.db2.gz XMNHEYZXYACMHL-CYZMBNFOSA-N 1 1 453.362 2.750 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001286923334 1061526289 /nfs/dbraw/zinc/52/62/89/1061526289.db2.gz JKNJUKOGHSJRJD-UPVQGACJSA-N 1 1 495.672 2.549 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(=O)NC(C)C)cc1 ZINC001289863347 1061546507 /nfs/dbraw/zinc/54/65/07/1061546507.db2.gz QHEXXTSQFWZWFQ-UHFFFAOYSA-N 1 1 474.675 2.950 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(=O)NC(C)C)cc1 ZINC001289863347 1061546527 /nfs/dbraw/zinc/54/65/27/1061546527.db2.gz QHEXXTSQFWZWFQ-UHFFFAOYSA-N 1 1 474.675 2.950 20 0 JFADMO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868203 1061549901 /nfs/dbraw/zinc/54/99/01/1061549901.db2.gz PKJROHKNWHXQIZ-PMACEKPBSA-N 1 1 493.699 2.613 20 0 JFADMO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868210 1061549927 /nfs/dbraw/zinc/54/99/27/1061549927.db2.gz PKJROHKNWHXQIZ-WOJBJXKFSA-N 1 1 493.699 2.613 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286929194 1061550674 /nfs/dbraw/zinc/55/06/74/1061550674.db2.gz NGHMBZNOHXKVOC-BJKOFHAPSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286929628 1061551871 /nfs/dbraw/zinc/55/18/71/1061551871.db2.gz PWGYZRYWGKQOSV-HSZRJFAPSA-N 1 1 498.672 2.937 20 0 JFADMO CC(=O)NCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286932228 1061560734 /nfs/dbraw/zinc/56/07/34/1061560734.db2.gz PBHFEQYNEUAJQW-GJZUVCINSA-N 1 1 490.693 2.792 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289876928 1061561083 /nfs/dbraw/zinc/56/10/83/1061561083.db2.gz HEMKIGUEIOHMQD-RDPSFJRHSA-N 1 1 475.659 2.576 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286933722 1061566426 /nfs/dbraw/zinc/56/64/26/1061566426.db2.gz MEGQGGMRCBOEBG-LJQANCHMSA-N 1 1 462.602 2.608 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001286934163 1061568042 /nfs/dbraw/zinc/56/80/42/1061568042.db2.gz RQYXRYTXAXAJKV-UHFFFAOYSA-N 1 1 476.629 2.976 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093451 1061571986 /nfs/dbraw/zinc/57/19/86/1061571986.db2.gz DQHUFJMIIACOQX-LEWJYISDSA-N 1 1 489.690 2.582 20 0 JFADMO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(C)(C)C)no2)CC[N@H+]1CCOC ZINC001294098226 1061577935 /nfs/dbraw/zinc/57/79/35/1061577935.db2.gz UOJPSRINOUTLPI-IBGZPJMESA-N 1 1 487.649 2.671 20 0 JFADMO Cc1cccc(C)c1CCn1c(CN2CCCC2=O)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289895483 1061582907 /nfs/dbraw/zinc/58/29/07/1061582907.db2.gz JJLLCMNLKSYNDR-SZPZYZBQSA-N 1 1 468.646 2.805 20 0 JFADMO Cc1cccc(C)c1CCn1c(CN2CCCC2=O)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289895483 1061582925 /nfs/dbraw/zinc/58/29/25/1061582925.db2.gz JJLLCMNLKSYNDR-SZPZYZBQSA-N 1 1 468.646 2.805 20 0 JFADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)c2ncccc2Br)CC1)Cc1ccccc1 ZINC001294103713 1061583605 /nfs/dbraw/zinc/58/36/05/1061583605.db2.gz QLHOCPVQMFUAJR-UHFFFAOYSA-N 1 1 459.388 2.945 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294104398 1061584454 /nfs/dbraw/zinc/58/44/54/1061584454.db2.gz ONRVJIFMEDGQPV-VAMGGRTRSA-N 1 1 488.599 2.951 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001294104874 1061585925 /nfs/dbraw/zinc/58/59/25/1061585925.db2.gz NVTHBBDOTMMVAS-FQEVSTJZSA-N 1 1 469.634 2.726 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294106413 1061589073 /nfs/dbraw/zinc/58/90/73/1061589073.db2.gz LALRGPCNOXCMPX-OAQYLSRUSA-N 1 1 490.693 2.948 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294106413 1061589100 /nfs/dbraw/zinc/58/91/00/1061589100.db2.gz LALRGPCNOXCMPX-OAQYLSRUSA-N 1 1 490.693 2.948 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001289906775 1061594473 /nfs/dbraw/zinc/59/44/73/1061594473.db2.gz WKPCWRMZQATDTE-ZWKOTPCHSA-N 1 1 459.620 2.892 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001289906773 1061594518 /nfs/dbraw/zinc/59/45/18/1061594518.db2.gz WKPCWRMZQATDTE-QZTJIDSGSA-N 1 1 459.620 2.892 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001289906772 1061594644 /nfs/dbraw/zinc/59/46/44/1061594644.db2.gz WKPCWRMZQATDTE-MSOLQXFVSA-N 1 1 459.620 2.892 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001289909190 1061598639 /nfs/dbraw/zinc/59/86/39/1061598639.db2.gz IGNBVSFZOHQBMN-OAQYLSRUSA-N 1 1 468.627 2.794 20 0 JFADMO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117349 1061599277 /nfs/dbraw/zinc/59/92/77/1061599277.db2.gz WOJVKSQAILLYCX-DENIHFKCSA-N 1 1 475.682 2.766 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001289909558 1061599774 /nfs/dbraw/zinc/59/97/74/1061599774.db2.gz QMVGNZQEGHSRRX-WSTZPKSXSA-N 1 1 462.664 2.886 20 0 JFADMO CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286944048 1061608391 /nfs/dbraw/zinc/60/83/91/1061608391.db2.gz BDGYCQGQMIWXKA-LJQANCHMSA-N 1 1 498.607 2.529 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001286944473 1061612784 /nfs/dbraw/zinc/61/27/84/1061612784.db2.gz AQWOKNIKBPWQAX-AUSIDOKSSA-N 1 1 488.608 2.602 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289931071 1061622461 /nfs/dbraw/zinc/62/24/61/1061622461.db2.gz GIZRWCLIVJSZFP-JOCHJYFZSA-N 1 1 463.630 2.937 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)n1 ZINC001289932581 1061625865 /nfs/dbraw/zinc/62/58/65/1061625865.db2.gz WDYBOOYYVUTXEV-KDURUIRLSA-N 1 1 450.591 2.535 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2nccnc2C)n1 ZINC001289932581 1061625873 /nfs/dbraw/zinc/62/58/73/1061625873.db2.gz WDYBOOYYVUTXEV-KDURUIRLSA-N 1 1 450.591 2.535 20 0 JFADMO Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001289938576 1061629132 /nfs/dbraw/zinc/62/91/32/1061629132.db2.gz WGGANJLRGQEZLM-UHFFFAOYSA-N 1 1 464.614 2.801 20 0 JFADMO Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001289938576 1061629142 /nfs/dbraw/zinc/62/91/42/1061629142.db2.gz WGGANJLRGQEZLM-UHFFFAOYSA-N 1 1 464.614 2.801 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001294141004 1061629308 /nfs/dbraw/zinc/62/93/08/1061629308.db2.gz YXWHPAMEBFJDFL-MBSDFSHPSA-N 1 1 457.596 2.584 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286946190 1061631107 /nfs/dbraw/zinc/63/11/07/1061631107.db2.gz JSBHQQDCVUGIGE-ZCVJKFOLSA-N 1 1 468.646 2.639 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286946258 1061632995 /nfs/dbraw/zinc/63/29/95/1061632995.db2.gz ZJNBXORKMMWDEH-BVYCBKJFSA-N 1 1 491.036 2.817 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001286946310 1061634105 /nfs/dbraw/zinc/63/41/05/1061634105.db2.gz JRVNVIQWJJVQSH-DEOSSOPVSA-N 1 1 496.656 2.758 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286947290 1061640953 /nfs/dbraw/zinc/64/09/53/1061640953.db2.gz SVEQMOLUNMMJOQ-NQIIRXRSSA-N 1 1 474.675 2.782 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286947293 1061640990 /nfs/dbraw/zinc/64/09/90/1061640990.db2.gz SVEQMOLUNMMJOQ-WIYYLYMNSA-N 1 1 474.675 2.782 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286947297 1061642114 /nfs/dbraw/zinc/64/21/14/1061642114.db2.gz SXENEOQBAZCBGY-CVDCTZTESA-N 1 1 482.654 2.792 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CC(F)(F)Br)n1 ZINC001289950551 1061644997 /nfs/dbraw/zinc/64/49/97/1061644997.db2.gz MLRUGPJAMHSHSN-GOSISDBHSA-N 1 1 471.350 2.937 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001294164882 1061656023 /nfs/dbraw/zinc/65/60/23/1061656023.db2.gz FPWUHWKVVTVAJZ-UHFFFAOYSA-N 1 1 452.607 2.520 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCC[N@H+](C)Cc2ccccc2)n1 ZINC001289960949 1061667380 /nfs/dbraw/zinc/66/73/80/1061667380.db2.gz YMPNRUBCPPIAEN-UHFFFAOYSA-N 1 1 497.669 2.689 20 0 JFADMO CC(=O)NCCCn1c(-c2cccc3cccnc32)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286949747 1061674346 /nfs/dbraw/zinc/67/43/46/1061674346.db2.gz PIQWGZXYRWIZSN-UHFFFAOYSA-N 1 1 479.629 2.814 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)n1 ZINC001289971670 1061676284 /nfs/dbraw/zinc/67/62/84/1061676284.db2.gz FONYFQSIFXVZBL-QHCPKHFHSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)n1 ZINC001289971670 1061676288 /nfs/dbraw/zinc/67/62/88/1061676288.db2.gz FONYFQSIFXVZBL-QHCPKHFHSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289973450 1061685416 /nfs/dbraw/zinc/68/54/16/1061685416.db2.gz IKEHOJOLIGQCHN-BHIFYINESA-N 1 1 483.661 2.889 20 0 JFADMO CCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001294195300 1061702969 /nfs/dbraw/zinc/70/29/69/1061702969.db2.gz AUDKHHPLWRNASX-DENIHFKCSA-N 1 1 470.618 2.970 20 0 JFADMO C[C@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201223 1061707691 /nfs/dbraw/zinc/70/76/91/1061707691.db2.gz IBFBNHZVFKSTMY-VCOUNFBDSA-N 1 1 455.603 2.966 20 0 JFADMO Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCC[N@H+](C)C(C)C)CC2)no1 ZINC001289984868 1061708021 /nfs/dbraw/zinc/70/80/21/1061708021.db2.gz BAGQRKBAISYSMG-UHFFFAOYSA-N 1 1 452.607 2.997 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001294208857 1061711770 /nfs/dbraw/zinc/71/17/70/1061711770.db2.gz KABQYVGLBLMXNM-RUZDIDTESA-N 1 1 489.686 2.751 20 0 JFADMO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001289997491 1061721156 /nfs/dbraw/zinc/72/11/56/1061721156.db2.gz FVVOTPNCNLRBLL-FGZHOGPDSA-N 1 1 454.619 2.913 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CC=CCC1 ZINC001286958133 1061723885 /nfs/dbraw/zinc/72/38/85/1061723885.db2.gz IDVZKICDPJTBOW-UHFFFAOYSA-N 1 1 451.600 2.806 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294215101 1061723990 /nfs/dbraw/zinc/72/39/90/1061723990.db2.gz QHGXLYMUYAAOAF-QZTJIDSGSA-N 1 1 459.570 2.503 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294215903 1061724890 /nfs/dbraw/zinc/72/48/90/1061724890.db2.gz WOLITVTZGDYVRZ-CQSZACIVSA-N 1 1 453.385 2.767 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001294216899 1061725552 /nfs/dbraw/zinc/72/55/52/1061725552.db2.gz KPQKQTBQDCOQTD-LJQANCHMSA-N 1 1 492.690 2.931 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294216999 1061726587 /nfs/dbraw/zinc/72/65/87/1061726587.db2.gz NLLGEFAEOWILLB-SFHVURJKSA-N 1 1 489.564 2.848 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294217398 1061728108 /nfs/dbraw/zinc/72/81/08/1061728108.db2.gz GTCLOMCUVSQLOJ-UYAOXDASSA-N 1 1 459.547 2.808 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294217417 1061728638 /nfs/dbraw/zinc/72/86/38/1061728638.db2.gz HABHAYBUPLPLJU-OFVILXPXSA-N 1 1 497.688 2.674 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C ZINC001294218027 1061729810 /nfs/dbraw/zinc/72/98/10/1061729810.db2.gz XGUQLOIGIDNFLV-FQEVSTJZSA-N 1 1 486.646 2.551 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001294219204 1061730310 /nfs/dbraw/zinc/73/03/10/1061730310.db2.gz WMRGDIZTPGDPQE-HXUWFJFHSA-N 1 1 453.595 2.514 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294224362 1061735174 /nfs/dbraw/zinc/73/51/74/1061735174.db2.gz RPZWFPJLKFUFGF-GOSISDBHSA-N 1 1 476.651 2.958 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225588 1061737225 /nfs/dbraw/zinc/73/72/25/1061737225.db2.gz GEMZZINDWWTNCB-RBUKOAKNSA-N 1 1 450.628 2.865 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294227570 1061741254 /nfs/dbraw/zinc/74/12/54/1061741254.db2.gz FUBPIOUAFOYGFJ-UXHICEINSA-N 1 1 456.591 2.544 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294228076 1061742313 /nfs/dbraw/zinc/74/23/13/1061742313.db2.gz AJJOZHGDHFFIKD-QHCPKHFHSA-N 1 1 460.554 2.759 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(CO)CC1 ZINC001294228703 1061743802 /nfs/dbraw/zinc/74/38/02/1061743802.db2.gz HPNLJHJGBKWDAE-BGYRXZFFSA-N 1 1 464.655 2.989 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001294228522 1061743900 /nfs/dbraw/zinc/74/39/00/1061743900.db2.gz PHJCEGPCVLTGJP-UHFFFAOYSA-N 1 1 474.675 2.738 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001294228660 1061743999 /nfs/dbraw/zinc/74/39/99/1061743999.db2.gz GKEJSIRGJRZQKN-ZCNNSNEGSA-N 1 1 489.665 2.592 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001294228553 1061744204 /nfs/dbraw/zinc/74/42/04/1061744204.db2.gz PSEWNKYLUMSHHN-QFIPXVFZSA-N 1 1 485.608 2.507 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294229785 1061746528 /nfs/dbraw/zinc/74/65/28/1061746528.db2.gz RRAMKMFDHPUYOP-DENIHFKCSA-N 1 1 471.650 2.585 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294230016 1061746594 /nfs/dbraw/zinc/74/65/94/1061746594.db2.gz SSBWHRHTEVYSEA-RTWAWAEBSA-N 1 1 458.582 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294230017 1061747072 /nfs/dbraw/zinc/74/70/72/1061747072.db2.gz SSBWHRHTEVYSEA-SFTDATJTSA-N 1 1 458.582 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294230396 1061748053 /nfs/dbraw/zinc/74/80/53/1061748053.db2.gz VLTDPWGXMNRONU-ZWOKBUDYSA-N 1 1 463.545 2.818 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001294233841 1061749306 /nfs/dbraw/zinc/74/93/06/1061749306.db2.gz ZNUUEJLLRKUYKV-BBMMYNIISA-N 1 1 465.639 2.507 20 0 JFADMO CCCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294240149 1061751098 /nfs/dbraw/zinc/75/10/98/1061751098.db2.gz NCGRDCCUIGXODQ-UHFFFAOYSA-N 1 1 464.618 2.921 20 0 JFADMO Cc1cccc(CN2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001290037719 1061755209 /nfs/dbraw/zinc/75/52/09/1061755209.db2.gz RNDGYHWXDVKTTN-UHFFFAOYSA-N 1 1 467.662 2.619 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001286973469 1061762002 /nfs/dbraw/zinc/76/20/02/1061762002.db2.gz RQCGIMJJHRJDIY-LSDHHAIUSA-N 1 1 487.468 2.779 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(O)CCOCC2)c1 ZINC001290046491 1061765378 /nfs/dbraw/zinc/76/53/78/1061765378.db2.gz GGCGDMZJDJOUDF-UHFFFAOYSA-N 1 1 487.645 2.502 20 0 JFADMO CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294282002 1061773264 /nfs/dbraw/zinc/77/32/64/1061773264.db2.gz WBBOISKVAPLIHL-FGZHOGPDSA-N 1 1 490.674 2.512 20 0 JFADMO Cc1cccc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054904 1061774831 /nfs/dbraw/zinc/77/48/31/1061774831.db2.gz LZCBYNZQSNVDHN-PZJWPPBQSA-N 1 1 496.578 2.817 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCC1 ZINC001286976728 1061786108 /nfs/dbraw/zinc/78/61/08/1061786108.db2.gz KEOHYUJWUPUWLR-MOPGFXCFSA-N 1 1 458.632 2.635 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290066017 1061790306 /nfs/dbraw/zinc/79/03/06/1061790306.db2.gz YCNPUSUBCVXTAE-HXUWFJFHSA-N 1 1 496.578 2.818 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)c1 ZINC001290066649 1061790951 /nfs/dbraw/zinc/79/09/51/1061790951.db2.gz OHRHPXSVJBHDCB-UGKGYDQZSA-N 1 1 483.535 2.780 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001294306740 1061794017 /nfs/dbraw/zinc/79/40/17/1061794017.db2.gz COZGMCXFYLETMX-SFHLNBCPSA-N 1 1 494.662 2.714 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001290069484 1061794146 /nfs/dbraw/zinc/79/41/46/1061794146.db2.gz KFLOQHGHHXUEII-UHFFFAOYSA-N 1 1 456.591 2.928 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001294308579 1061796518 /nfs/dbraw/zinc/79/65/18/1061796518.db2.gz SCVLSGAPCJBXRP-CTNGQTDRSA-N 1 1 473.666 2.566 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294308549 1061796773 /nfs/dbraw/zinc/79/67/73/1061796773.db2.gz RFYHSCYZGCTGRO-JOCHJYFZSA-N 1 1 475.682 2.910 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001294308936 1061797862 /nfs/dbraw/zinc/79/78/62/1061797862.db2.gz WNQNWAWKOJIECY-OAQYLSRUSA-N 1 1 471.654 2.579 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309612 1061799977 /nfs/dbraw/zinc/79/99/77/1061799977.db2.gz CBEQXKWVKIALHN-OALUTQOASA-N 1 1 450.653 2.808 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001294312040 1061803291 /nfs/dbraw/zinc/80/32/91/1061803291.db2.gz SBSKTEPKLVZLNS-OTWHNJEPSA-N 1 1 485.599 2.957 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001294313358 1061805069 /nfs/dbraw/zinc/80/50/69/1061805069.db2.gz BYFILZYHEFWUPT-PWRODBHTSA-N 1 1 482.695 2.502 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294314516 1061806006 /nfs/dbraw/zinc/80/60/06/1061806006.db2.gz GXWJKAZIOCFKRF-QHCPKHFHSA-N 1 1 453.635 2.977 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294315148 1061806744 /nfs/dbraw/zinc/80/67/44/1061806744.db2.gz AEPXSIWMUMSZQO-XUVXKRRUSA-N 1 1 453.653 2.798 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294315572 1061807380 /nfs/dbraw/zinc/80/73/80/1061807380.db2.gz BYAQUUQMZUNULW-NRFANRHFSA-N 1 1 476.666 2.890 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001286979542 1061807675 /nfs/dbraw/zinc/80/76/75/1061807675.db2.gz VIWFFFPBHSWTIZ-DYXWJJEUSA-N 1 1 459.660 2.805 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001294316063 1061810100 /nfs/dbraw/zinc/81/01/00/1061810100.db2.gz NBXSBOSVMHSZDA-NJYVYQBISA-N 1 1 467.680 2.840 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1 ZINC001286980326 1061812386 /nfs/dbraw/zinc/81/23/86/1061812386.db2.gz MZKCOKCJFVTXNE-HOTGVXAUSA-N 1 1 453.012 2.513 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1 ZINC001286980326 1061812404 /nfs/dbraw/zinc/81/24/04/1061812404.db2.gz MZKCOKCJFVTXNE-HOTGVXAUSA-N 1 1 453.012 2.513 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317213 1061813097 /nfs/dbraw/zinc/81/30/97/1061813097.db2.gz KDVKXPLLFMJKNP-RTBURBONSA-N 1 1 471.654 2.762 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001294322688 1061827265 /nfs/dbraw/zinc/82/72/65/1061827265.db2.gz UEAJOQPTLXMEDW-RDGATRHJSA-N 1 1 481.689 2.926 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@H+]1CCCO ZINC001286983179 1061833181 /nfs/dbraw/zinc/83/31/81/1061833181.db2.gz RJGQPFGFZSDGJA-CEXWTWQISA-N 1 1 488.658 2.531 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294327199 1061841430 /nfs/dbraw/zinc/84/14/30/1061841430.db2.gz UOILHJCBHFAYFO-RBBKRZOGSA-N 1 1 483.661 2.972 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294327199 1061841446 /nfs/dbraw/zinc/84/14/46/1061841446.db2.gz UOILHJCBHFAYFO-RBBKRZOGSA-N 1 1 483.661 2.972 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCCCS(C)(=O)=O ZINC001290117636 1061844650 /nfs/dbraw/zinc/84/46/50/1061844650.db2.gz PHQFAVBAFRYZJS-NRFANRHFSA-N 1 1 475.659 2.627 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001294328442 1061845293 /nfs/dbraw/zinc/84/52/93/1061845293.db2.gz DBFUOKZRJCUIJG-CBPXPLCBSA-N 1 1 487.693 2.871 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001290120223 1061850060 /nfs/dbraw/zinc/85/00/60/1061850060.db2.gz HYSRFPGSTYKBNJ-UYAOXDASSA-N 1 1 454.619 2.845 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001290125022 1061855664 /nfs/dbraw/zinc/85/56/64/1061855664.db2.gz KFMHISWBJAWRHT-VQTJNVASSA-N 1 1 460.648 2.503 20 0 JFADMO CC(C)(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001286986206 1061860669 /nfs/dbraw/zinc/86/06/69/1061860669.db2.gz LLNDLBKLGYUDFW-UHFFFAOYSA-N 1 1 467.643 2.810 20 0 JFADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001290138844 1061872420 /nfs/dbraw/zinc/87/24/20/1061872420.db2.gz UYWKQFKQGIZGAS-UHFFFAOYSA-N 1 1 452.349 2.545 20 0 JFADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286987809 1061872981 /nfs/dbraw/zinc/87/29/81/1061872981.db2.gz ZPRIZBHILBZMNL-HXUWFJFHSA-N 1 1 494.644 2.566 20 0 JFADMO Cc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290140400 1061873956 /nfs/dbraw/zinc/87/39/56/1061873956.db2.gz GXLDKWGDQYZFFD-UZKOGDIHSA-N 1 1 490.674 2.507 20 0 JFADMO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001290141519 1061876253 /nfs/dbraw/zinc/87/62/53/1061876253.db2.gz YYFCIGSDYRCEHA-FPOVZHCZSA-N 1 1 454.619 2.687 20 0 JFADMO COc1ccc([C@@H](CNC(=O)c2sccc2S(=O)(=O)N(C)C)[NH+]2CCCCC2)cc1 ZINC001290143663 1061878227 /nfs/dbraw/zinc/87/82/27/1061878227.db2.gz VWRYVDUSBLVKAT-GOSISDBHSA-N 1 1 451.614 2.964 20 0 JFADMO COc1ccc([C@H](CNC(=O)c2sccc2S(=O)(=O)N(C)C)[NH+]2CCCCC2)cc1 ZINC001290143666 1061878355 /nfs/dbraw/zinc/87/83/55/1061878355.db2.gz VWRYVDUSBLVKAT-SFHVURJKSA-N 1 1 451.614 2.964 20 0 JFADMO Cc1ccccc1[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001290146703 1061889415 /nfs/dbraw/zinc/88/94/15/1061889415.db2.gz YHEHWBHMMQPNEW-IFMALSPDSA-N 1 1 475.659 2.797 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998668 1061912239 /nfs/dbraw/zinc/91/22/39/1061912239.db2.gz TVBSYQPYUFSTGF-KRWDZBQOSA-N 1 1 480.455 2.783 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294349009 1061912632 /nfs/dbraw/zinc/91/26/32/1061912632.db2.gz MTTGHSUOIHWVMQ-RTWAWAEBSA-N 1 1 487.693 2.654 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294349193 1061913865 /nfs/dbraw/zinc/91/38/65/1061913865.db2.gz NWDSHIQPTWTLLM-JOCHJYFZSA-N 1 1 451.619 2.659 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290177075 1061925327 /nfs/dbraw/zinc/92/53/27/1061925327.db2.gz RNUVPQBMDVKHCA-UHFFFAOYSA-N 1 1 493.622 2.888 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290177075 1061925352 /nfs/dbraw/zinc/92/53/52/1061925352.db2.gz RNUVPQBMDVKHCA-UHFFFAOYSA-N 1 1 493.622 2.888 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290177075 1061925378 /nfs/dbraw/zinc/92/53/78/1061925378.db2.gz RNUVPQBMDVKHCA-UHFFFAOYSA-N 1 1 493.622 2.888 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287008687 1061935203 /nfs/dbraw/zinc/93/52/03/1061935203.db2.gz CZQVZLLPNKMAIY-UHFFFAOYSA-N 1 1 469.609 2.737 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1(O)CCCCC1 ZINC001287008658 1061935254 /nfs/dbraw/zinc/93/52/54/1061935254.db2.gz CDLXRUQCAWMHRP-OAQYLSRUSA-N 1 1 471.646 2.833 20 0 JFADMO CC(C)(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001287013266 1061946011 /nfs/dbraw/zinc/94/60/11/1061946011.db2.gz ZUVQBFKEWRRQEO-OAHLLOKOSA-N 1 1 454.497 2.589 20 0 JFADMO CC(C)(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001287013266 1061946039 /nfs/dbraw/zinc/94/60/39/1061946039.db2.gz ZUVQBFKEWRRQEO-OAHLLOKOSA-N 1 1 454.497 2.589 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294374331 1061947264 /nfs/dbraw/zinc/94/72/64/1061947264.db2.gz OGPUBWUAWZFUGM-VUMVONDWSA-N 1 1 461.582 2.993 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCSCC2)cc1OC ZINC001294375101 1061949055 /nfs/dbraw/zinc/94/90/55/1061949055.db2.gz YNPFDMZJUUDIPR-UHFFFAOYSA-N 1 1 493.699 2.750 20 0 JFADMO CCCCOCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294390136 1061960486 /nfs/dbraw/zinc/96/04/86/1061960486.db2.gz PVQLWILRNMITLN-PMVMPFDFSA-N 1 1 476.666 2.715 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001287023636 1061964846 /nfs/dbraw/zinc/96/48/46/1061964846.db2.gz SLBYYARRNXHYID-UHFFFAOYSA-N 1 1 468.646 2.839 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1S(N)(=O)=O ZINC001290220780 1061969220 /nfs/dbraw/zinc/96/92/20/1061969220.db2.gz FDHCHVLLKHOOKY-FCHUYYIVSA-N 1 1 450.564 2.892 20 0 JFADMO CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294402450 1061970007 /nfs/dbraw/zinc/97/00/07/1061970007.db2.gz TZXOVOAECKHNPU-NRFANRHFSA-N 1 1 470.618 2.513 20 0 JFADMO CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001290230330 1061978777 /nfs/dbraw/zinc/97/87/77/1061978777.db2.gz YKPYCNFFMJFFLK-QFIPXVFZSA-N 1 1 452.603 2.864 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCOCCS(C)(=O)=O ZINC001287030669 1061981485 /nfs/dbraw/zinc/98/14/85/1061981485.db2.gz QBMWWSSYPJXWFX-UHFFFAOYSA-N 1 1 495.665 2.779 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287032039 1061985905 /nfs/dbraw/zinc/98/59/05/1061985905.db2.gz XUJHBJDFYPAEMW-YADHBBJMSA-N 1 1 468.646 2.573 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287032466 1061987506 /nfs/dbraw/zinc/98/75/06/1061987506.db2.gz NFBGNCJILMVXMU-HXUWFJFHSA-N 1 1 474.675 2.737 20 0 JFADMO CC1=CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001290249849 1061988208 /nfs/dbraw/zinc/98/82/08/1061988208.db2.gz ATCWZQLJIPUFPP-JOCHJYFZSA-N 1 1 452.603 2.578 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287032849 1061989198 /nfs/dbraw/zinc/98/91/98/1061989198.db2.gz WJONLJPAXYOVLM-LJQANCHMSA-N 1 1 461.680 2.887 20 0 JFADMO C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1cccc(S(N)(=O)=O)c1 ZINC001290254569 1061990717 /nfs/dbraw/zinc/99/07/17/1061990717.db2.gz AKOIWMSFWZTIFB-PUZWTLIVSA-N 1 1 464.591 2.822 20 0 JFADMO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001290254747 1061991174 /nfs/dbraw/zinc/99/11/74/1061991174.db2.gz VCDGLMIBEULYRO-GOSISDBHSA-N 1 1 458.632 2.835 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287033891 1061992797 /nfs/dbraw/zinc/99/27/97/1061992797.db2.gz AWLKQFPVPUINBM-UHFFFAOYSA-N 1 1 465.646 2.889 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001287034178 1061994984 /nfs/dbraw/zinc/99/49/84/1061994984.db2.gz HZPADEAVMUUPOX-TZIWHRDSSA-N 1 1 493.599 2.853 20 0 JFADMO CC1=CCN(c2nnc(CCOc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001290265584 1061996010 /nfs/dbraw/zinc/99/60/10/1061996010.db2.gz YMSIVBJCPYJFGI-HSZRJFAPSA-N 1 1 466.630 2.999 20 0 JFADMO CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001290266344 1061997506 /nfs/dbraw/zinc/99/75/06/1061997506.db2.gz YPJLFNGTCMYZQX-FQEVSTJZSA-N 1 1 490.649 2.854 20 0 JFADMO CC1=CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001290266344 1061997528 /nfs/dbraw/zinc/99/75/28/1061997528.db2.gz YPJLFNGTCMYZQX-FQEVSTJZSA-N 1 1 490.649 2.854 20 0 JFADMO CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001290266348 1061997678 /nfs/dbraw/zinc/99/76/78/1061997678.db2.gz YPJLFNGTCMYZQX-HXUWFJFHSA-N 1 1 490.649 2.854 20 0 JFADMO CC1=CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001290266348 1061997700 /nfs/dbraw/zinc/99/77/00/1061997700.db2.gz YPJLFNGTCMYZQX-HXUWFJFHSA-N 1 1 490.649 2.854 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)C1 ZINC001294453912 1061999156 /nfs/dbraw/zinc/99/91/56/1061999156.db2.gz JQUZZFKDEAOUPE-INIZCTEOSA-N 1 1 462.586 2.978 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)C1 ZINC001294453913 1061999262 /nfs/dbraw/zinc/99/92/62/1061999262.db2.gz JQUZZFKDEAOUPE-MRXNPFEDSA-N 1 1 462.586 2.978 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294453970 1061999368 /nfs/dbraw/zinc/99/93/68/1061999368.db2.gz KPXLEKUGHSPGDO-NRFANRHFSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCOCC2)C1 ZINC001294455427 1062002363 /nfs/dbraw/zinc/00/23/63/1062002363.db2.gz DMTMHIGIIQURCM-QZTJIDSGSA-N 1 1 494.482 2.925 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287036756 1062002997 /nfs/dbraw/zinc/00/29/97/1062002997.db2.gz IUGMVUGUVGIIEL-INIZCTEOSA-N 1 1 469.556 2.949 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCN1CCCCCC1=O ZINC001287036977 1062003623 /nfs/dbraw/zinc/00/36/23/1062003623.db2.gz ZYKMGUWRMCSMSB-OAQYLSRUSA-N 1 1 460.667 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457561 1062004989 /nfs/dbraw/zinc/00/49/89/1062004989.db2.gz NZMPLLDDJCHAHX-ZWKOTPCHSA-N 1 1 456.570 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457558 1062005100 /nfs/dbraw/zinc/00/51/00/1062005100.db2.gz NZMPLLDDJCHAHX-MSOLQXFVSA-N 1 1 456.570 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 ZINC001294459673 1062006943 /nfs/dbraw/zinc/00/69/43/1062006943.db2.gz VQTCFLYPKUITTJ-YDIMBITNSA-N 1 1 461.582 2.877 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294460032 1062007669 /nfs/dbraw/zinc/00/76/69/1062007669.db2.gz AKWGKRHWBJKYKU-RBUKOAKNSA-N 1 1 491.658 2.565 20 0 JFADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC001290279143 1062008018 /nfs/dbraw/zinc/00/80/18/1062008018.db2.gz LVLKTXVHBGOTSI-OAQYLSRUSA-N 1 1 464.618 2.722 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 ZINC001294460739 1062008839 /nfs/dbraw/zinc/00/88/39/1062008839.db2.gz JPKUJKCZDSNBDT-QUCCMNQESA-N 1 1 459.591 2.546 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001287042099 1062011351 /nfs/dbraw/zinc/01/13/51/1062011351.db2.gz ZKWAMRSLDKEGOB-GUDVDZBRSA-N 1 1 455.644 2.877 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001287042255 1062011754 /nfs/dbraw/zinc/01/17/54/1062011754.db2.gz GINIIVVMKTXUTJ-UHFFFAOYSA-N 1 1 463.586 2.563 20 0 JFADMO CC[C@]1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001294462300 1062012383 /nfs/dbraw/zinc/01/23/83/1062012383.db2.gz DFUCCCVTHZSAEI-VWLOTQADSA-N 1 1 458.603 2.979 20 0 JFADMO Cc1cnn(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290285291 1062012853 /nfs/dbraw/zinc/01/28/53/1062012853.db2.gz CBVCJWDWHDPVHC-KDURUIRLSA-N 1 1 473.572 2.898 20 0 JFADMO Cc1cnn(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290285291 1062012877 /nfs/dbraw/zinc/01/28/77/1062012877.db2.gz CBVCJWDWHDPVHC-KDURUIRLSA-N 1 1 473.572 2.898 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)C1 ZINC001294467359 1062016426 /nfs/dbraw/zinc/01/64/26/1062016426.db2.gz FPKYKGNNZUVXIF-YYWHXJBOSA-N 1 1 458.582 2.924 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467786 1062017688 /nfs/dbraw/zinc/01/76/88/1062017688.db2.gz JDHBLIBIQKTRAR-VQTJNVASSA-N 1 1 455.607 2.879 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294468339 1062019078 /nfs/dbraw/zinc/01/90/78/1062019078.db2.gz MRUDVQCKBQDRKD-VQIMIIECSA-N 1 1 496.534 2.637 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468982 1062020122 /nfs/dbraw/zinc/02/01/22/1062020122.db2.gz SHCHATGCRKOMKC-UNMCSNQZSA-N 1 1 454.619 2.748 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469109 1062020614 /nfs/dbraw/zinc/02/06/14/1062020614.db2.gz UUVUGWDYDJHGDM-CEXWTWQISA-N 1 1 477.654 2.653 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469111 1062020861 /nfs/dbraw/zinc/02/08/61/1062020861.db2.gz UUVUGWDYDJHGDM-GBESFXJTSA-N 1 1 477.654 2.653 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294469288 1062021547 /nfs/dbraw/zinc/02/15/47/1062021547.db2.gz XGEZTHYKQKMCGJ-FGTMMUONSA-N 1 1 496.703 2.561 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001294469410 1062021969 /nfs/dbraw/zinc/02/19/69/1062021969.db2.gz YSSAAYYLSWZIIF-RLSLOFABSA-N 1 1 494.681 2.916 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCn2ccnn2)CC1 ZINC001287045073 1062022033 /nfs/dbraw/zinc/02/20/33/1062022033.db2.gz IRNDVKNXTOJHLG-UHFFFAOYSA-N 1 1 456.570 2.989 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(=O)NC)C1 ZINC001294469385 1062022083 /nfs/dbraw/zinc/02/20/83/1062022083.db2.gz YJMHESAXBDNHKB-KRWDZBQOSA-N 1 1 480.617 2.534 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 ZINC001294469983 1062023801 /nfs/dbraw/zinc/02/38/01/1062023801.db2.gz JHDDHIMUDZVXSJ-SFHVURJKSA-N 1 1 458.582 2.765 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 ZINC001294470437 1062024398 /nfs/dbraw/zinc/02/43/98/1062024398.db2.gz LSSVHSNZDBSMFT-MXEMCNAFSA-N 1 1 492.665 2.632 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 ZINC001287045647 1062024915 /nfs/dbraw/zinc/02/49/15/1062024915.db2.gz LLSIJYZJOTUBDU-OAHLLOKOSA-N 1 1 483.626 2.786 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 ZINC001294470826 1062025175 /nfs/dbraw/zinc/02/51/75/1062025175.db2.gz NJZVAFMJRJMGMK-CQSZACIVSA-N 1 1 463.371 2.556 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294474692 1062027344 /nfs/dbraw/zinc/02/73/44/1062027344.db2.gz QEYUSYJNJLCHNI-HXUWFJFHSA-N 1 1 465.689 2.923 20 0 JFADMO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001290303619 1062030838 /nfs/dbraw/zinc/03/08/38/1062030838.db2.gz DZIGLSQWLWDHLR-MOPGFXCFSA-N 1 1 486.642 2.857 20 0 JFADMO CCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001294489287 1062033244 /nfs/dbraw/zinc/03/32/44/1062033244.db2.gz PQPKLKFAYBVYAE-LJQANCHMSA-N 1 1 477.679 2.831 20 0 JFADMO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001294496772 1062034327 /nfs/dbraw/zinc/03/43/27/1062034327.db2.gz AYSYJOUOUBBDSJ-WOJBJXKFSA-N 1 1 480.654 2.791 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294505504 1062041544 /nfs/dbraw/zinc/04/15/44/1062041544.db2.gz KYWNODBAWILWHN-NRFANRHFSA-N 1 1 458.582 2.963 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](CCn2c(N3CC[N@@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049737 1062043900 /nfs/dbraw/zinc/04/39/00/1062043900.db2.gz VGYCGKBBOHOOBQ-MOPGFXCFSA-N 1 1 462.639 2.744 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](CCn2c(N3CC[N@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049737 1062043923 /nfs/dbraw/zinc/04/39/23/1062043923.db2.gz VGYCGKBBOHOOBQ-MOPGFXCFSA-N 1 1 462.639 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001294506444 1062044365 /nfs/dbraw/zinc/04/43/65/1062044365.db2.gz TUDJGLYOHSMGRE-INIZCTEOSA-N 1 1 469.055 2.836 20 0 JFADMO COc1cc(C(=O)NCC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001294508808 1062046629 /nfs/dbraw/zinc/04/66/29/1062046629.db2.gz AEVNTBMSMYLLFB-FQEVSTJZSA-N 1 1 455.555 2.565 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294516020 1062052861 /nfs/dbraw/zinc/05/28/61/1062052861.db2.gz MGBQUWCXUJUPBW-UHFFFAOYSA-N 1 1 466.590 2.793 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)c1 ZINC001290332823 1062053832 /nfs/dbraw/zinc/05/38/32/1062053832.db2.gz AQAUGMPUXPTLMC-GOSISDBHSA-N 1 1 488.683 2.953 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001294518870 1062055071 /nfs/dbraw/zinc/05/50/71/1062055071.db2.gz AYMSKXWSBINPIU-FQEVSTJZSA-N 1 1 488.637 2.745 20 0 JFADMO Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290341101 1062057384 /nfs/dbraw/zinc/05/73/84/1062057384.db2.gz YJPFPUFTYVDPDY-LJQANCHMSA-N 1 1 460.648 2.764 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)F)CC1 ZINC001294522575 1062057803 /nfs/dbraw/zinc/05/78/03/1062057803.db2.gz GHKHRARYDAGTTH-UHFFFAOYSA-N 1 1 450.534 2.793 20 0 JFADMO Cc1csc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290342470 1062058958 /nfs/dbraw/zinc/05/89/58/1062058958.db2.gz FNLPPYXZUKXJHL-HDICACEKSA-N 1 1 475.663 2.555 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 ZINC001294523556 1062059792 /nfs/dbraw/zinc/05/97/92/1062059792.db2.gz WPAGXFYZHHTLCS-UXHICEINSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](CC)C1 ZINC001294523560 1062061104 /nfs/dbraw/zinc/06/11/04/1062061104.db2.gz WPAGXFYZHHTLCS-WOJBJXKFSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001294524827 1062062434 /nfs/dbraw/zinc/06/24/34/1062062434.db2.gz RTQIXUMJVNTYFP-LJQANCHMSA-N 1 1 491.999 2.942 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001294524829 1062062676 /nfs/dbraw/zinc/06/26/76/1062062676.db2.gz RVPWUDVYZDKONR-UHFFFAOYSA-N 1 1 460.579 2.583 20 0 JFADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCS(C)(=O)=O ZINC001287054237 1062063247 /nfs/dbraw/zinc/06/32/47/1062063247.db2.gz RSVDPTYNEFCOPR-SFHVURJKSA-N 1 1 498.694 2.705 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294527993 1062064786 /nfs/dbraw/zinc/06/47/86/1062064786.db2.gz RIRBBMXMCBAWKL-XMMPIXPASA-N 1 1 456.591 2.928 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001294528828 1062065579 /nfs/dbraw/zinc/06/55/79/1062065579.db2.gz GNXNYIXLWVJOGV-HXUWFJFHSA-N 1 1 459.595 2.557 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC001290354374 1062065909 /nfs/dbraw/zinc/06/59/09/1062065909.db2.gz RMBGBAYDYIMDOX-IBGZPJMESA-N 1 1 488.706 2.610 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530322 1062066623 /nfs/dbraw/zinc/06/66/23/1062066623.db2.gz CRBUKDNCGUXURI-HJOGWXRNSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530322 1062066641 /nfs/dbraw/zinc/06/66/41/1062066641.db2.gz CRBUKDNCGUXURI-HJOGWXRNSA-N 1 1 450.583 2.939 20 0 JFADMO Cc1cscc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001290355233 1062066926 /nfs/dbraw/zinc/06/69/26/1062066926.db2.gz LLPWLZDMIOJUPM-KRWDZBQOSA-N 1 1 492.646 2.768 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001290355249 1062067330 /nfs/dbraw/zinc/06/73/30/1062067330.db2.gz YYQRYOIQODIYIO-HKUYNNGSSA-N 1 1 474.679 2.628 20 0 JFADMO CC[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530357 1062067381 /nfs/dbraw/zinc/06/73/81/1062067381.db2.gz DNQLUTNOEIPGSB-LEWJYISDSA-N 1 1 454.962 2.789 20 0 JFADMO CC[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530357 1062067404 /nfs/dbraw/zinc/06/74/04/1062067404.db2.gz DNQLUTNOEIPGSB-LEWJYISDSA-N 1 1 454.962 2.789 20 0 JFADMO Cc1nc(C)c(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001290362030 1062071138 /nfs/dbraw/zinc/07/11/38/1062071138.db2.gz SGOITZNGHPBALY-UHFFFAOYSA-N 1 1 498.657 2.788 20 0 JFADMO Cc1nc(C)c(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001290362030 1062071159 /nfs/dbraw/zinc/07/11/59/1062071159.db2.gz SGOITZNGHPBALY-UHFFFAOYSA-N 1 1 498.657 2.788 20 0 JFADMO Nc1cc(Br)cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1N ZINC001294562443 1062080268 /nfs/dbraw/zinc/08/02/68/1062080268.db2.gz CGBMCSBGMRLBDV-UHFFFAOYSA-N 1 1 452.784 2.819 20 0 JFADMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(I)c[nH]1 ZINC001294563925 1062080949 /nfs/dbraw/zinc/08/09/49/1062080949.db2.gz OAHILTANDZMZNP-UHFFFAOYSA-N 1 1 458.731 2.825 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287058538 1062085754 /nfs/dbraw/zinc/08/57/54/1062085754.db2.gz HKEINPDUXJZBIT-KRWDZBQOSA-N 1 1 450.628 2.790 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287058538 1062085774 /nfs/dbraw/zinc/08/57/74/1062085774.db2.gz HKEINPDUXJZBIT-KRWDZBQOSA-N 1 1 450.628 2.790 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290385125 1062088351 /nfs/dbraw/zinc/08/83/51/1062088351.db2.gz HGSIDDVKHMTRBG-FUHIMQAGSA-N 1 1 480.704 2.625 20 0 JFADMO CCCN(CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C ZINC001294586229 1062098773 /nfs/dbraw/zinc/09/87/73/1062098773.db2.gz WDKIANXFNXEZQP-LJQANCHMSA-N 1 1 466.627 2.545 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCN3CCN(c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)cs1 ZINC001290400992 1062104258 /nfs/dbraw/zinc/10/42/58/1062104258.db2.gz JIFQHUGOMMGLIL-FQEVSTJZSA-N 1 1 482.702 2.842 20 0 JFADMO CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294602345 1062112532 /nfs/dbraw/zinc/11/25/32/1062112532.db2.gz MLDQRPTUXVKXAW-SFHVURJKSA-N 1 1 491.434 2.869 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CCC[NH+]2CCOCC2)cs1 ZINC001290407088 1062118791 /nfs/dbraw/zinc/11/87/91/1062118791.db2.gz FLBGMKDIVBVQMU-WMLDXEAASA-N 1 1 474.553 2.512 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001290410188 1062125163 /nfs/dbraw/zinc/12/51/63/1062125163.db2.gz ADSZFLLUENFHPF-INIZCTEOSA-N 1 1 459.664 2.846 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290410480 1062127219 /nfs/dbraw/zinc/12/72/19/1062127219.db2.gz DUSBQKWAIJFJEC-HOCLYGCPSA-N 1 1 485.580 2.623 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290411070 1062131087 /nfs/dbraw/zinc/13/10/87/1062131087.db2.gz VUEFZJQLYALQQV-ZIFCJYIRSA-N 1 1 459.664 2.704 20 0 JFADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(N2CCNC2=O)ccc1Cl ZINC001290416169 1062136398 /nfs/dbraw/zinc/13/63/98/1062136398.db2.gz OIEVPVUVDWEMOA-UHFFFAOYSA-N 1 1 455.990 2.807 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001290416385 1062137660 /nfs/dbraw/zinc/13/76/60/1062137660.db2.gz SRMZYXBNYJJWQT-YTFSRNRJSA-N 1 1 456.631 2.814 20 0 JFADMO CCOC(=O)c1cnn(-c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)cc2)c1C(F)(F)F ZINC001290416451 1062137794 /nfs/dbraw/zinc/13/77/94/1062137794.db2.gz TVSMQLLIMAGDIO-IAGOWNOFSA-N 1 1 454.449 2.852 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)C1 ZINC001294632192 1062139190 /nfs/dbraw/zinc/13/91/90/1062139190.db2.gz GEIHUVOTIJBTRV-LEWJYISDSA-N 1 1 456.639 2.803 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294633499 1062143532 /nfs/dbraw/zinc/14/35/32/1062143532.db2.gz OZHDLKWNXMFAPQ-DFBJGRDBSA-N 1 1 467.618 2.581 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001290417462 1062145318 /nfs/dbraw/zinc/14/53/18/1062145318.db2.gz KPIAXOTWBICNJN-KRWDZBQOSA-N 1 1 459.664 2.990 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637449 1062150323 /nfs/dbraw/zinc/15/03/23/1062150323.db2.gz IEHZWEKCRHIEEI-OALUTQOASA-N 1 1 454.685 2.774 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCSC(C)C)cs1 ZINC001290418538 1062152005 /nfs/dbraw/zinc/15/20/05/1062152005.db2.gz UKHMYGZKJBCHLH-SFHVURJKSA-N 1 1 450.678 2.934 20 0 JFADMO CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC001294638174 1062152903 /nfs/dbraw/zinc/15/29/03/1062152903.db2.gz OLHLMYMUUZLUAF-DEOSSOPVSA-N 1 1 475.726 2.755 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287067118 1062157075 /nfs/dbraw/zinc/15/70/75/1062157075.db2.gz WHDAWTVIVZADPY-IBGZPJMESA-N 1 1 473.622 2.737 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294640778 1062157480 /nfs/dbraw/zinc/15/74/80/1062157480.db2.gz FMWCOZYPPHETCG-INIZCTEOSA-N 1 1 461.408 2.766 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294640847 1062158353 /nfs/dbraw/zinc/15/83/53/1062158353.db2.gz GSKOHVJDNLLLDK-NVXWUHKLSA-N 1 1 499.479 2.781 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccccc2)C1 ZINC001294641015 1062159765 /nfs/dbraw/zinc/15/97/65/1062159765.db2.gz IGASPIJLZFZXOT-ZJOUEHCJSA-N 1 1 460.648 2.962 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccccc2)C1 ZINC001294641014 1062159905 /nfs/dbraw/zinc/15/99/05/1062159905.db2.gz IGASPIJLZFZXOT-SVFBPWRDSA-N 1 1 460.648 2.962 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294641311 1062161936 /nfs/dbraw/zinc/16/19/36/1062161936.db2.gz LWXIBTRLWBARBC-CEXWTWQISA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 ZINC001294645285 1062171752 /nfs/dbraw/zinc/17/17/52/1062171752.db2.gz ATANGAPXMLEJAC-PZJWPPBQSA-N 1 1 471.650 2.615 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294645711 1062174077 /nfs/dbraw/zinc/17/40/77/1062174077.db2.gz FLKXAHOLRMBPEZ-MJGOQNOKSA-N 1 1 479.000 2.811 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294646725 1062177583 /nfs/dbraw/zinc/17/75/83/1062177583.db2.gz NWUWDLMEUHRVOD-AZUAARDMSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294646728 1062178608 /nfs/dbraw/zinc/17/86/08/1062178608.db2.gz NWUWDLMEUHRVOD-QUCCMNQESA-N 1 1 470.618 2.751 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2)cc(OC)c1 ZINC001294646807 1062178658 /nfs/dbraw/zinc/17/86/58/1062178658.db2.gz ZGOBZKYBIRDJEM-AWEZNQCLSA-N 1 1 452.433 2.604 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2)cc(OC)c1 ZINC001294646807 1062178666 /nfs/dbraw/zinc/17/86/66/1062178666.db2.gz ZGOBZKYBIRDJEM-AWEZNQCLSA-N 1 1 452.433 2.604 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646941 1062179682 /nfs/dbraw/zinc/17/96/82/1062179682.db2.gz PDJFUJVYKINOHO-KRWDZBQOSA-N 1 1 499.056 2.941 20 0 JFADMO Cc1nc(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001290428337 1062180867 /nfs/dbraw/zinc/18/08/67/1062180867.db2.gz IMJDYRZPNVTTBX-FQEVSTJZSA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294647284 1062181644 /nfs/dbraw/zinc/18/16/44/1062181644.db2.gz SOAQKKAJOZIZCR-AZUAARDMSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294647466 1062182800 /nfs/dbraw/zinc/18/28/00/1062182800.db2.gz DAFICFNLUREZNX-SFHVURJKSA-N 1 1 492.571 2.573 20 0 JFADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290429249 1062183442 /nfs/dbraw/zinc/18/34/42/1062183442.db2.gz ZPCBYPMQXSASOS-SFHVURJKSA-N 1 1 459.664 2.813 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001294648243 1062185865 /nfs/dbraw/zinc/18/58/65/1062185865.db2.gz ILFRYPGNVGRQKT-KRWDZBQOSA-N 1 1 478.439 2.826 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294648259 1062187111 /nfs/dbraw/zinc/18/71/11/1062187111.db2.gz IRROWRWCBNQNEW-IBGZPJMESA-N 1 1 456.591 2.964 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294649155 1062190266 /nfs/dbraw/zinc/19/02/66/1062190266.db2.gz YIFLNJGEJWUGHY-FQEVSTJZSA-N 1 1 474.675 2.927 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001294648913 1062190344 /nfs/dbraw/zinc/19/03/44/1062190344.db2.gz XMCVWBITFZUEJX-VQTJNVASSA-N 1 1 492.665 2.924 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCNC(=O)C2)C1 ZINC001294650873 1062195840 /nfs/dbraw/zinc/19/58/40/1062195840.db2.gz WHVHTXZWHJJOFD-MRXNPFEDSA-N 1 1 461.408 2.684 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001294651513 1062196895 /nfs/dbraw/zinc/19/68/95/1062196895.db2.gz ZMISOVCDIBYOGT-QGZVFWFLSA-N 1 1 461.010 2.801 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC001290433263 1062198292 /nfs/dbraw/zinc/19/82/92/1062198292.db2.gz VUYBQAFGQLHLDC-GOSISDBHSA-N 1 1 467.643 2.823 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655719 1062200186 /nfs/dbraw/zinc/20/01/86/1062200186.db2.gz BZCSKJPMMLXXJV-RTWAWAEBSA-N 1 1 475.659 2.947 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287071393 1062201892 /nfs/dbraw/zinc/20/18/92/1062201892.db2.gz MOTZGAYZGNOKCP-UXHICEINSA-N 1 1 485.633 2.680 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)C1 ZINC001294657999 1062203243 /nfs/dbraw/zinc/20/32/43/1062203243.db2.gz NGPIAPLVTSEPAH-QHAWAJNXSA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658492 1062206038 /nfs/dbraw/zinc/20/60/38/1062206038.db2.gz QXBSATXLRRINLH-VQTJNVASSA-N 1 1 467.618 2.653 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2nccc(C(F)F)n2)cs1 ZINC001290435734 1062206210 /nfs/dbraw/zinc/20/62/10/1062206210.db2.gz ZLKZDYLOQSHDMR-UHFFFAOYSA-N 1 1 492.600 2.957 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659050 1062206712 /nfs/dbraw/zinc/20/67/12/1062206712.db2.gz UKHNZRACJNKLQY-DLBZAZTESA-N 1 1 452.554 2.745 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290440789 1062210517 /nfs/dbraw/zinc/21/05/17/1062210517.db2.gz XGKNKOMFHZSCQJ-APWZRJJASA-N 1 1 450.678 2.932 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294661105 1062211571 /nfs/dbraw/zinc/21/15/71/1062211571.db2.gz ITECOJSIUZCDKR-LEWJYISDSA-N 1 1 492.665 2.506 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216152 /nfs/dbraw/zinc/21/61/52/1062216152.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216159 /nfs/dbraw/zinc/21/61/59/1062216159.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294667384 1062221753 /nfs/dbraw/zinc/22/17/53/1062221753.db2.gz ZEHRZBBQFRIVRQ-WOJBJXKFSA-N 1 1 470.618 2.655 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCC(N(C)S(=O)(=O)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294668739 1062223200 /nfs/dbraw/zinc/22/32/00/1062223200.db2.gz CABGCELYCYRQSW-SFHVURJKSA-N 1 1 454.685 2.558 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670079 1062226661 /nfs/dbraw/zinc/22/66/61/1062226661.db2.gz OOIGERSRQNAQAR-RTWAWAEBSA-N 1 1 487.693 2.511 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294670634 1062228331 /nfs/dbraw/zinc/22/83/31/1062228331.db2.gz SWAZFTPEVKMLFY-NRFANRHFSA-N 1 1 459.660 2.809 20 0 JFADMO COc1ccc(CCC2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 ZINC001290452117 1062229808 /nfs/dbraw/zinc/22/98/08/1062229808.db2.gz KZCOURKYMCZUDH-XMMPIXPASA-N 1 1 457.615 2.580 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001294671443 1062230092 /nfs/dbraw/zinc/23/00/92/1062230092.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001294671443 1062230114 /nfs/dbraw/zinc/23/01/14/1062230114.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294684612 1062244813 /nfs/dbraw/zinc/24/48/13/1062244813.db2.gz VAFUFMOGVNTTJV-PCCBWWKXSA-N 1 1 462.683 2.980 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[NH+]1CCOCC1 ZINC001290464471 1062248297 /nfs/dbraw/zinc/24/82/97/1062248297.db2.gz YISBRURIJBFNLD-HXUWFJFHSA-N 1 1 458.024 2.747 20 0 JFADMO CCC(CC)[C@H](CNC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001290466130 1062250977 /nfs/dbraw/zinc/25/09/77/1062250977.db2.gz XPIJNRWTRQKMCE-PMACEKPBSA-N 1 1 451.612 2.581 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 ZINC001294692877 1062252507 /nfs/dbraw/zinc/25/25/07/1062252507.db2.gz DRDPMHUECNITRS-IXDOHACOSA-N 1 1 462.611 2.634 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001294693868 1062253942 /nfs/dbraw/zinc/25/39/42/1062253942.db2.gz IKSBAAAXBFBYCJ-NHCUHLMSSA-N 1 1 496.660 2.883 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 ZINC001294694687 1062255408 /nfs/dbraw/zinc/25/54/08/1062255408.db2.gz LJQIELDDIDHHIV-OAQYLSRUSA-N 1 1 472.659 2.980 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001294694693 1062255519 /nfs/dbraw/zinc/25/55/19/1062255519.db2.gz LMKINDCTDOMJTG-HWHXTQLESA-N 1 1 476.666 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 ZINC001294695582 1062256890 /nfs/dbraw/zinc/25/68/90/1062256890.db2.gz OFQGRBQCOKBZCD-KRWDZBQOSA-N 1 1 499.479 2.545 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001294696128 1062257793 /nfs/dbraw/zinc/25/77/93/1062257793.db2.gz QTYRYLQFUVJQAJ-FNAHDJPLSA-N 1 1 496.722 2.796 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294697586 1062259295 /nfs/dbraw/zinc/25/92/95/1062259295.db2.gz HZWUOXVCMHKCQL-FYYLOGMGSA-N 1 1 496.704 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 ZINC001294699470 1062263217 /nfs/dbraw/zinc/26/32/17/1062263217.db2.gz OCICWQFXXGBFLR-VQTJNVASSA-N 1 1 461.632 2.838 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001294699371 1062263615 /nfs/dbraw/zinc/26/36/15/1062263615.db2.gz PFKFOTZAPHXDQS-QGZVFWFLSA-N 1 1 452.529 2.684 20 0 JFADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287087033 1062266206 /nfs/dbraw/zinc/26/62/06/1062266206.db2.gz RAGNFQUEARIQCT-QZNHQXDQSA-N 1 1 490.693 2.525 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294700962 1062266652 /nfs/dbraw/zinc/26/66/52/1062266652.db2.gz YZTYXYLRKMMZAX-HXUWFJFHSA-N 1 1 475.663 2.513 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294701047 1062266692 /nfs/dbraw/zinc/26/66/92/1062266692.db2.gz ZWNWXIMEXUYXAS-FQEVSTJZSA-N 1 1 452.669 2.718 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294700536 1062266876 /nfs/dbraw/zinc/26/68/76/1062266876.db2.gz XMPYEMBPCNAMQF-DBXWQHBBSA-N 1 1 459.566 2.709 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294701138 1062267156 /nfs/dbraw/zinc/26/71/56/1062267156.db2.gz WVCBTNKVODCGOZ-RBUKOAKNSA-N 1 1 470.618 2.894 20 0 JFADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CCCO)CC2)n1CCC[NH+]1CCOCC1 ZINC001287087830 1062269409 /nfs/dbraw/zinc/26/94/09/1062269409.db2.gz WPPSBIZAAZKXJB-FGZHOGPDSA-N 1 1 463.667 2.908 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001294706713 1062270322 /nfs/dbraw/zinc/27/03/22/1062270322.db2.gz CROMTXIFAQKWMD-WOJBJXKFSA-N 1 1 487.674 2.639 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294706329 1062270557 /nfs/dbraw/zinc/27/05/57/1062270557.db2.gz ASICCRCNEYRCAP-SFTDATJTSA-N 1 1 457.623 2.794 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001294707766 1062272090 /nfs/dbraw/zinc/27/20/90/1062272090.db2.gz GMBULBZSWMTGBZ-QHCPKHFHSA-N 1 1 468.646 2.737 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294708251 1062273320 /nfs/dbraw/zinc/27/33/20/1062273320.db2.gz HTXFGHIBTGUQIB-HSZRJFAPSA-N 1 1 473.710 2.922 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287089290 1062275634 /nfs/dbraw/zinc/27/56/34/1062275634.db2.gz YKHUTYLWHZSIEL-KRWDZBQOSA-N 1 1 492.024 2.818 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287089290 1062275653 /nfs/dbraw/zinc/27/56/53/1062275653.db2.gz YKHUTYLWHZSIEL-KRWDZBQOSA-N 1 1 492.024 2.818 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294709145 1062276860 /nfs/dbraw/zinc/27/68/60/1062276860.db2.gz GYFANZFJASYBQN-LQWHRVPQSA-N 1 1 475.556 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294709421 1062277742 /nfs/dbraw/zinc/27/77/42/1062277742.db2.gz LOEZQHPOEPDUQQ-PZJWPPBQSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001294712945 1062284154 /nfs/dbraw/zinc/28/41/54/1062284154.db2.gz WLHODXFZPBKNKS-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713339 1062286196 /nfs/dbraw/zinc/28/61/96/1062286196.db2.gz YRISVMFDAFXHDE-FGZHOGPDSA-N 1 1 459.660 2.951 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001290503955 1062299802 /nfs/dbraw/zinc/29/98/02/1062299802.db2.gz NTDWTPIKEFPXIN-MJGOQNOKSA-N 1 1 488.637 2.751 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cn1 ZINC001290504077 1062300532 /nfs/dbraw/zinc/30/05/32/1062300532.db2.gz QFXUGVWKMQLOFL-UWVAXJGDSA-N 1 1 487.630 2.715 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001290504068 1062300581 /nfs/dbraw/zinc/30/05/81/1062300581.db2.gz QBMSTHIACQVBLQ-UHFFFAOYSA-N 1 1 496.591 2.503 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001290503983 1062300632 /nfs/dbraw/zinc/30/06/32/1062300632.db2.gz OXMHGOUTMOESDF-INIZCTEOSA-N 1 1 475.594 2.575 20 0 JFADMO CC(C)(O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287097091 1062302629 /nfs/dbraw/zinc/30/26/29/1062302629.db2.gz YSFFKOWXVPHARL-HNNXBMFYSA-N 1 1 468.371 2.529 20 0 JFADMO CC(C)(O)CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287097091 1062302654 /nfs/dbraw/zinc/30/26/54/1062302654.db2.gz YSFFKOWXVPHARL-HNNXBMFYSA-N 1 1 468.371 2.529 20 0 JFADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3C)CC2)cc1 ZINC001290505966 1062303173 /nfs/dbraw/zinc/30/31/73/1062303173.db2.gz RADXFLHYQDAWLC-UHFFFAOYSA-N 1 1 457.596 2.892 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O ZINC001290506531 1062303891 /nfs/dbraw/zinc/30/38/91/1062303891.db2.gz ITBBLMOTHGOPIO-UHFFFAOYSA-N 1 1 469.615 2.903 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290506064 1062304239 /nfs/dbraw/zinc/30/42/39/1062304239.db2.gz HFBFFJVFTBGIAA-RTBURBONSA-N 1 1 486.621 2.566 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001294724453 1062304521 /nfs/dbraw/zinc/30/45/21/1062304521.db2.gz PRLGWXUFOXIVHY-JOCHJYFZSA-N 1 1 468.646 2.939 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001290507115 1062304826 /nfs/dbraw/zinc/30/48/26/1062304826.db2.gz MSIVZURQPAZBRP-FQEVSTJZSA-N 1 1 465.606 2.709 20 0 JFADMO CC(C)(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287098854 1062306479 /nfs/dbraw/zinc/30/64/79/1062306479.db2.gz OMZYPWCNLWVCEN-AWEZNQCLSA-N 1 1 470.799 2.653 20 0 JFADMO CC(C)(O)Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287098854 1062306496 /nfs/dbraw/zinc/30/64/96/1062306496.db2.gz OMZYPWCNLWVCEN-AWEZNQCLSA-N 1 1 470.799 2.653 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001290508314 1062306865 /nfs/dbraw/zinc/30/68/65/1062306865.db2.gz WBCOFJKQJMHONI-INIZCTEOSA-N 1 1 463.512 2.793 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001294725027 1062307394 /nfs/dbraw/zinc/30/73/94/1062307394.db2.gz PPVVGPLMVCILEH-SFHVURJKSA-N 1 1 461.010 2.768 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001290511057 1062308838 /nfs/dbraw/zinc/30/88/38/1062308838.db2.gz LFEBJWDRTSOCDE-UHFFFAOYSA-N 1 1 471.631 2.649 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001290511009 1062308887 /nfs/dbraw/zinc/30/88/87/1062308887.db2.gz KCCBWPQTXLQENE-UHFFFAOYSA-N 1 1 499.019 2.549 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCOC1 ZINC001290510847 1062308926 /nfs/dbraw/zinc/30/89/26/1062308926.db2.gz HCPMRMYUNPUJRG-LJQANCHMSA-N 1 1 457.966 2.682 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294728833 1062309529 /nfs/dbraw/zinc/30/95/29/1062309529.db2.gz BIJRNDBSCVOUEP-IFMALSPDSA-N 1 1 481.645 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001290511189 1062309590 /nfs/dbraw/zinc/30/95/90/1062309590.db2.gz MZXYKUCGRVSXLM-WIYYLYMNSA-N 1 1 486.646 2.564 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001290511326 1062310281 /nfs/dbraw/zinc/31/02/81/1062310281.db2.gz QTTFKDNLHINXPQ-UHFFFAOYSA-N 1 1 486.621 2.603 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001290513557 1062312411 /nfs/dbraw/zinc/31/24/11/1062312411.db2.gz CULGFTTWOMBTFF-LJQANCHMSA-N 1 1 489.621 2.787 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001290514017 1062312889 /nfs/dbraw/zinc/31/28/89/1062312889.db2.gz HRHNMTAHZCPACX-UHFFFAOYSA-N 1 1 452.607 2.730 20 0 JFADMO CCCN1CCCN(c2nnc(CC(C)(C)C)n2CCCCN2CC[NH+](CC)CC2)CC1=O ZINC001294733383 1062314780 /nfs/dbraw/zinc/31/47/80/1062314780.db2.gz AYHNUUBPIXODKC-UHFFFAOYSA-N 1 1 461.699 2.733 20 0 JFADMO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001290517170 1062316842 /nfs/dbraw/zinc/31/68/42/1062316842.db2.gz AMFFJQQHTUDELK-JOCHJYFZSA-N 1 1 464.618 2.580 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001290517524 1062317652 /nfs/dbraw/zinc/31/76/52/1062317652.db2.gz GQHPMYYZYKCXEQ-LJQANCHMSA-N 1 1 488.637 2.705 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290517229 1062317740 /nfs/dbraw/zinc/31/77/40/1062317740.db2.gz BJMBKDNKKOZAPD-MJGOQNOKSA-N 1 1 486.621 2.612 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1=O ZINC001294734334 1062317890 /nfs/dbraw/zinc/31/78/90/1062317890.db2.gz UKXFXLHUYBCAQO-GOSISDBHSA-N 1 1 474.572 2.895 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1nccs1 ZINC001290517876 1062318394 /nfs/dbraw/zinc/31/83/94/1062318394.db2.gz NEHRIQGIYDTTAT-UHFFFAOYSA-N 1 1 456.601 2.958 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294734664 1062319368 /nfs/dbraw/zinc/31/93/68/1062319368.db2.gz YYBBHQWPCKXMNE-JOCHJYFZSA-N 1 1 454.619 2.753 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001290518180 1062319668 /nfs/dbraw/zinc/31/96/68/1062319668.db2.gz YNDJWUIMQAAXMA-HZPDHXFCSA-N 1 1 457.966 2.680 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001290521057 1062320177 /nfs/dbraw/zinc/32/01/77/1062320177.db2.gz HFDNOGMZWDIBKR-KDOFPFPSSA-N 1 1 498.531 2.710 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001290522073 1062323160 /nfs/dbraw/zinc/32/31/60/1062323160.db2.gz DDSLQBKZVRYDDD-SFHVURJKSA-N 1 1 459.595 2.871 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290524386 1062324992 /nfs/dbraw/zinc/32/49/92/1062324992.db2.gz AVHLVVAAEMXLNL-OAQYLSRUSA-N 1 1 499.591 2.943 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001290524483 1062325824 /nfs/dbraw/zinc/32/58/24/1062325824.db2.gz DBQKHWIMLBQVRF-RBUKOAKNSA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001290524824 1062326818 /nfs/dbraw/zinc/32/68/18/1062326818.db2.gz OJQZUJSDVZULCK-UHFFFAOYSA-N 1 1 485.658 2.724 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001290524710 1062327055 /nfs/dbraw/zinc/32/70/55/1062327055.db2.gz KGMYTJUEHQNPST-HOCLYGCPSA-N 1 1 464.542 2.861 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC001294742862 1062330341 /nfs/dbraw/zinc/33/03/41/1062330341.db2.gz HCLNGZGHTGSLCV-FQEVSTJZSA-N 1 1 470.618 2.799 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287112806 1062331596 /nfs/dbraw/zinc/33/15/96/1062331596.db2.gz WDTJJOKGPMMOPA-QFIPXVFZSA-N 1 1 460.667 2.552 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001294743549 1062332450 /nfs/dbraw/zinc/33/24/50/1062332450.db2.gz CCQZFUPXLDTGBP-CTNGQTDRSA-N 1 1 476.666 2.845 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2CCn2cc[nH+]c2C)CC1=O ZINC001294743817 1062333324 /nfs/dbraw/zinc/33/33/24/1062333324.db2.gz VYCJJCLAVDHOHS-UHFFFAOYSA-N 1 1 455.538 2.650 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001294743937 1062333822 /nfs/dbraw/zinc/33/38/22/1062333822.db2.gz HUALFGRYNIZEPI-CUWPLCDZSA-N 1 1 478.638 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001294743961 1062334641 /nfs/dbraw/zinc/33/46/41/1062334641.db2.gz IDECAKLNRAHCTB-RXVVDRJESA-N 1 1 490.674 2.724 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294743971 1062334735 /nfs/dbraw/zinc/33/47/35/1062334735.db2.gz INHAFBVQWBKHKQ-QMMLZNLJSA-N 1 1 475.037 2.943 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001294743940 1062334860 /nfs/dbraw/zinc/33/48/60/1062334860.db2.gz HUALFGRYNIZEPI-QFUCXCTJSA-N 1 1 478.638 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001294744179 1062335137 /nfs/dbraw/zinc/33/51/37/1062335137.db2.gz ODMFLGDIUKZZQV-HBFSDRIKSA-N 1 1 476.647 2.550 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001294744180 1062335494 /nfs/dbraw/zinc/33/54/94/1062335494.db2.gz ODMFLGDIUKZZQV-NSHGMRRFSA-N 1 1 476.647 2.550 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294744717 1062336381 /nfs/dbraw/zinc/33/63/81/1062336381.db2.gz AZZUJZAMBHPUNK-HOCLYGCPSA-N 1 1 464.412 2.577 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294744723 1062336544 /nfs/dbraw/zinc/33/65/44/1062336544.db2.gz BGOMWSDVAMYRFL-IBGZPJMESA-N 1 1 464.636 2.581 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC001294753595 1062341928 /nfs/dbraw/zinc/34/19/28/1062341928.db2.gz OPNKACOTRZMZIF-FHWLQOOXSA-N 1 1 485.599 2.814 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294754934 1062344734 /nfs/dbraw/zinc/34/47/34/1062344734.db2.gz KPTQCUKAPFXVDO-UPVQGACJSA-N 1 1 467.662 2.700 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294757059 1062346883 /nfs/dbraw/zinc/34/68/83/1062346883.db2.gz INUBVUJMNAEJSJ-QHCPKHFHSA-N 1 1 488.702 2.800 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294757412 1062347609 /nfs/dbraw/zinc/34/76/09/1062347609.db2.gz KUDQWGJRHOYDTL-FQEVSTJZSA-N 1 1 480.704 2.665 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294759352 1062349157 /nfs/dbraw/zinc/34/91/57/1062349157.db2.gz CDCJCRCIOKWHMP-IMSXRSKXSA-N 1 1 497.706 2.597 20 0 JFADMO O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001290553366 1062355534 /nfs/dbraw/zinc/35/55/34/1062355534.db2.gz AWJWVWSRBCKRTI-DHLKQENFSA-N 1 1 452.555 2.953 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287119684 1062360693 /nfs/dbraw/zinc/36/06/93/1062360693.db2.gz CKJLGHVEZINUOO-QFIPXVFZSA-N 1 1 454.619 2.533 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287120141 1062361496 /nfs/dbraw/zinc/36/14/96/1062361496.db2.gz ICIGNORACCLPSJ-FQEVSTJZSA-N 1 1 472.609 2.672 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001287120399 1062362663 /nfs/dbraw/zinc/36/26/63/1062362663.db2.gz QMIHHSDTQBENKA-TZIWHRDSSA-N 1 1 473.666 2.625 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001290563019 1062364770 /nfs/dbraw/zinc/36/47/70/1062364770.db2.gz GXXGJIAOSDCWNF-QGZVFWFLSA-N 1 1 451.566 2.672 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2ccco2)CC1 ZINC001290562974 1062365103 /nfs/dbraw/zinc/36/51/03/1062365103.db2.gz FMRJBBMWYQCREF-DEOSSOPVSA-N 1 1 455.607 2.749 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001290565984 1062368167 /nfs/dbraw/zinc/36/81/67/1062368167.db2.gz PTGACBBOOKIICE-HTAPYJJXSA-N 1 1 486.665 2.905 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 ZINC001290567086 1062369905 /nfs/dbraw/zinc/36/99/05/1062369905.db2.gz UPGNQCOZKTWLHP-UHFFFAOYSA-N 1 1 496.635 2.817 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NCc2ccccc2)CC1 ZINC001290567722 1062370905 /nfs/dbraw/zinc/37/09/05/1062370905.db2.gz YEDAXXFDCGIYHW-UHFFFAOYSA-N 1 1 492.672 2.955 20 0 JFADMO Cc1cc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n(C)n1 ZINC001290570567 1062372923 /nfs/dbraw/zinc/37/29/23/1062372923.db2.gz GQZSFMUGUQVZEM-UHFFFAOYSA-N 1 1 453.639 2.629 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287122830 1062374419 /nfs/dbraw/zinc/37/44/19/1062374419.db2.gz XOYHJWBYOQURDN-RTWAWAEBSA-N 1 1 462.683 2.801 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001287123896 1062379525 /nfs/dbraw/zinc/37/95/25/1062379525.db2.gz NWQMHQNODBAEAX-NRFANRHFSA-N 1 1 462.683 2.845 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287124286 1062380850 /nfs/dbraw/zinc/38/08/50/1062380850.db2.gz HMNRCLCGZRWWME-FCHUYYIVSA-N 1 1 489.709 2.534 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001287125445 1062387051 /nfs/dbraw/zinc/38/70/51/1062387051.db2.gz BJTQHXOPZVYABT-FCHUYYIVSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)C2)n1 ZINC001290585301 1062393745 /nfs/dbraw/zinc/39/37/45/1062393745.db2.gz UOODEOZGGGOKGE-SFTDATJTSA-N 1 1 458.655 2.763 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001287127501 1062396804 /nfs/dbraw/zinc/39/68/04/1062396804.db2.gz JSPIHNHKYCNKJV-IRLDBZIGSA-N 1 1 454.619 2.655 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294789205 1062396884 /nfs/dbraw/zinc/39/68/84/1062396884.db2.gz KAJFMNAIYBGHPA-IBGZPJMESA-N 1 1 490.052 2.847 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294789205 1062396906 /nfs/dbraw/zinc/39/69/06/1062396906.db2.gz KAJFMNAIYBGHPA-IBGZPJMESA-N 1 1 490.052 2.847 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001287127721 1062397200 /nfs/dbraw/zinc/39/72/00/1062397200.db2.gz MDWBPNNVKGZZAQ-UHFFFAOYSA-N 1 1 453.616 2.886 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cccnc1OCc1ccccc1F ZINC001290590070 1062403956 /nfs/dbraw/zinc/40/39/56/1062403956.db2.gz XFLCSXXQFFQZGW-UHFFFAOYSA-N 1 1 450.518 2.532 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@]2(C)CCCO2)n1 ZINC001290594363 1062415895 /nfs/dbraw/zinc/41/58/95/1062415895.db2.gz RPXKJSHFKKHHNI-XMMPIXPASA-N 1 1 459.639 2.503 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001290597794 1062420281 /nfs/dbraw/zinc/42/02/81/1062420281.db2.gz JRXZVRDRYKNEHI-JOCHJYFZSA-N 1 1 477.535 2.862 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294794408 1062422399 /nfs/dbraw/zinc/42/23/99/1062422399.db2.gz HXEOVLNCTNBZHG-WOJBJXKFSA-N 1 1 457.623 2.517 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001290598744 1062424371 /nfs/dbraw/zinc/42/43/71/1062424371.db2.gz WPKFWDHXDWZAMO-UHFFFAOYSA-N 1 1 468.625 2.941 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001290598744 1062424391 /nfs/dbraw/zinc/42/43/91/1062424391.db2.gz WPKFWDHXDWZAMO-UHFFFAOYSA-N 1 1 468.625 2.941 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001290598744 1062424403 /nfs/dbraw/zinc/42/44/03/1062424403.db2.gz WPKFWDHXDWZAMO-UHFFFAOYSA-N 1 1 468.625 2.941 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001290599569 1062429112 /nfs/dbraw/zinc/42/91/12/1062429112.db2.gz WZXKCHMWHUQEKA-RUZDIDTESA-N 1 1 467.618 2.630 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCn2cc[nH+]c2C)C1 ZINC001294803803 1062453654 /nfs/dbraw/zinc/45/36/54/1062453654.db2.gz MVXMQVOPLQQYFJ-OAQYLSRUSA-N 1 1 450.591 2.602 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)c2ccccc2)n1 ZINC001290612511 1062456731 /nfs/dbraw/zinc/45/67/31/1062456731.db2.gz LPIHNYXDHRACBX-TVZXLZGTSA-N 1 1 481.645 2.593 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@](C)(O)c2ccccc2)n1 ZINC001290612511 1062456734 /nfs/dbraw/zinc/45/67/34/1062456734.db2.gz LPIHNYXDHRACBX-TVZXLZGTSA-N 1 1 481.645 2.593 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001294805747 1062457804 /nfs/dbraw/zinc/45/78/04/1062457804.db2.gz UYNLFSUCUYAZAT-UNMCSNQZSA-N 1 1 453.635 2.881 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294806609 1062459610 /nfs/dbraw/zinc/45/96/10/1062459610.db2.gz WVUFHGQYGNHBLI-QFIPXVFZSA-N 1 1 466.630 2.882 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001290618118 1062472636 /nfs/dbraw/zinc/47/26/36/1062472636.db2.gz SLBCYLGFZDFKIF-XYJFISCASA-N 1 1 455.529 2.778 20 0 JFADMO CNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001290619375 1062479078 /nfs/dbraw/zinc/47/90/78/1062479078.db2.gz RPHWXNSQADIWPM-XMMPIXPASA-N 1 1 453.583 2.652 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001290629659 1062502771 /nfs/dbraw/zinc/50/27/71/1062502771.db2.gz UUYDMFXLSDVERF-HXUWFJFHSA-N 1 1 474.654 2.926 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001290631524 1062506311 /nfs/dbraw/zinc/50/63/11/1062506311.db2.gz JRDIZUXNWQFGSS-NRFANRHFSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001290631524 1062506333 /nfs/dbraw/zinc/50/63/33/1062506333.db2.gz JRDIZUXNWQFGSS-NRFANRHFSA-N 1 1 459.639 2.502 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001294822901 1062509416 /nfs/dbraw/zinc/50/94/16/1062509416.db2.gz SNYZGDBKRHXXML-LJQANCHMSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001290633009 1062510440 /nfs/dbraw/zinc/51/04/40/1062510440.db2.gz OUOKPQOGLZQYQN-UHFFFAOYSA-N 1 1 478.439 2.739 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC=C(Br)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001290633009 1062510465 /nfs/dbraw/zinc/51/04/65/1062510465.db2.gz OUOKPQOGLZQYQN-UHFFFAOYSA-N 1 1 478.439 2.739 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001287146349 1062512513 /nfs/dbraw/zinc/51/25/13/1062512513.db2.gz QRAPOONOCMLOKE-XMMPIXPASA-N 1 1 455.607 2.787 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001294833357 1062522377 /nfs/dbraw/zinc/52/23/77/1062522377.db2.gz ZIMNVTALLVTXIE-FQEVSTJZSA-N 1 1 453.635 2.738 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294838654 1062530150 /nfs/dbraw/zinc/53/01/50/1062530150.db2.gz FLIOQRDDOUDWTR-INIZCTEOSA-N 1 1 450.534 2.993 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001290642094 1062532159 /nfs/dbraw/zinc/53/21/59/1062532159.db2.gz VNDJWQQVRRFWCR-DENIHFKCSA-N 1 1 470.666 2.565 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287154810 1062536818 /nfs/dbraw/zinc/53/68/18/1062536818.db2.gz WKNYKKKFFBZQEQ-LOSJGSFVSA-N 1 1 457.619 2.608 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287154809 1062537013 /nfs/dbraw/zinc/53/70/13/1062537013.db2.gz WKNYKKKFFBZQEQ-JWQCQUIFSA-N 1 1 457.619 2.608 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287157914 1062549285 /nfs/dbraw/zinc/54/92/85/1062549285.db2.gz ADDAMGOXOUQUAZ-RTWAWAEBSA-N 1 1 492.665 2.586 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001294849235 1062549527 /nfs/dbraw/zinc/54/95/27/1062549527.db2.gz KIKGJDAEDNIFMY-UHFFFAOYSA-N 1 1 479.629 2.839 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290654646 1062554048 /nfs/dbraw/zinc/55/40/48/1062554048.db2.gz RGHUIZAKPJYOKM-HBMCJLEFSA-N 1 1 461.680 2.827 20 0 JFADMO CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287161260 1062561979 /nfs/dbraw/zinc/56/19/79/1062561979.db2.gz WZXODCLWYGGVEU-MOPGFXCFSA-N 1 1 486.583 2.797 20 0 JFADMO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001287161632 1062564206 /nfs/dbraw/zinc/56/42/06/1062564206.db2.gz BQYIVGHURGGQFE-OAQYLSRUSA-N 1 1 461.582 2.562 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001287162634 1062565738 /nfs/dbraw/zinc/56/57/38/1062565738.db2.gz NQQPMINYYAZBAC-WOJBJXKFSA-N 1 1 492.571 2.824 20 0 JFADMO CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001294863347 1062571251 /nfs/dbraw/zinc/57/12/51/1062571251.db2.gz LZYDHJUDAYHNFY-UHFFFAOYSA-N 1 1 478.645 2.768 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001287164038 1062572750 /nfs/dbraw/zinc/57/27/50/1062572750.db2.gz VDKXXOZBUSPXSE-PMACEKPBSA-N 1 1 461.010 2.876 20 0 JFADMO CCCNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294869163 1062573469 /nfs/dbraw/zinc/57/34/69/1062573469.db2.gz CGTLFYLSBHFDCH-IRLDBZIGSA-N 1 1 486.686 2.952 20 0 JFADMO CC(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCC1)[NH+]1CCOCC1 ZINC001287164780 1062575063 /nfs/dbraw/zinc/57/50/63/1062575063.db2.gz YQCZFJDZBBBCTC-IBGZPJMESA-N 1 1 460.648 2.863 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294879503 1062591982 /nfs/dbraw/zinc/59/19/82/1062591982.db2.gz DILBTIPORBCMMR-MSOLQXFVSA-N 1 1 474.675 2.815 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294879506 1062592193 /nfs/dbraw/zinc/59/21/93/1062592193.db2.gz DILBTIPORBCMMR-ZWKOTPCHSA-N 1 1 474.675 2.815 20 0 JFADMO Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001290680997 1062593523 /nfs/dbraw/zinc/59/35/23/1062593523.db2.gz DFPOOSAZRRDJID-IBGZPJMESA-N 1 1 495.719 2.530 20 0 JFADMO Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001290680998 1062593658 /nfs/dbraw/zinc/59/36/58/1062593658.db2.gz DFPOOSAZRRDJID-LJQANCHMSA-N 1 1 495.719 2.530 20 0 JFADMO CC(C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001287173692 1062596350 /nfs/dbraw/zinc/59/63/50/1062596350.db2.gz GVRAFBMBCCYZCM-UHFFFAOYSA-N 1 1 477.675 2.842 20 0 JFADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001287179398 1062603495 /nfs/dbraw/zinc/60/34/95/1062603495.db2.gz QTBSUSRQFDWDEF-QFIPXVFZSA-N 1 1 474.675 2.926 20 0 JFADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179815 1062605461 /nfs/dbraw/zinc/60/54/61/1062605461.db2.gz TZRVPWFXQGNUQG-UNMCSNQZSA-N 1 1 489.686 2.831 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1NC(=O)CC1(C)C ZINC001287186529 1062612562 /nfs/dbraw/zinc/61/25/62/1062612562.db2.gz XSSXBJAUKGKZBE-FBBABVLZSA-N 1 1 456.639 2.569 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC001290693242 1062618152 /nfs/dbraw/zinc/61/81/52/1062618152.db2.gz YAVHJTOWADEFAP-AEFFLSMTSA-N 1 1 460.652 2.715 20 0 JFADMO CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294899865 1062636109 /nfs/dbraw/zinc/63/61/09/1062636109.db2.gz NFAIFSXBHQXVCC-VXKWHMMOSA-N 1 1 454.619 2.799 20 0 JFADMO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290706211 1062639369 /nfs/dbraw/zinc/63/93/69/1062639369.db2.gz UGVGAQXVROBJTL-AVRDEDQJSA-N 1 1 456.591 2.977 20 0 JFADMO Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290706214 1062640707 /nfs/dbraw/zinc/64/07/07/1062640707.db2.gz UGVGAQXVROBJTL-XMSQKQJNSA-N 1 1 456.591 2.977 20 0 JFADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001287203073 1062647114 /nfs/dbraw/zinc/64/71/14/1062647114.db2.gz ZWOYXAIANWRVKA-UHFFFAOYSA-N 1 1 485.652 2.965 20 0 JFADMO Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290718643 1062650977 /nfs/dbraw/zinc/65/09/77/1062650977.db2.gz HHINDWSIFZEIJT-BGYRXZFFSA-N 1 1 456.635 2.947 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290737848 1062660184 /nfs/dbraw/zinc/66/01/84/1062660184.db2.gz SSZIUCRLRQASQK-IMFGXOCKSA-N 1 1 460.627 2.753 20 0 JFADMO CC(C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001287213214 1062670556 /nfs/dbraw/zinc/67/05/56/1062670556.db2.gz ZASLVQKYJAMPJS-RTBURBONSA-N 1 1 457.627 2.588 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290759621 1062673064 /nfs/dbraw/zinc/67/30/64/1062673064.db2.gz JMHQJKICDFVOEJ-BGYRXZFFSA-N 1 1 460.667 2.949 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290762603 1062677584 /nfs/dbraw/zinc/67/75/84/1062677584.db2.gz KGHHTIJRJNWITI-HXUWFJFHSA-N 1 1 454.619 2.572 20 0 JFADMO CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001294921184 1062688980 /nfs/dbraw/zinc/68/89/80/1062688980.db2.gz YQZVVCGAIFGPQU-SSPYTLHUSA-N 1 1 484.645 2.629 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CCn2cncn2)cc1OC ZINC001294922604 1062689011 /nfs/dbraw/zinc/68/90/11/1062689011.db2.gz CVFASOBUKZZCTO-MOPGFXCFSA-N 1 1 468.606 2.953 20 0 JFADMO Cc1nnc(N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001290782843 1062693952 /nfs/dbraw/zinc/69/39/52/1062693952.db2.gz GBCFPBNANZQSIG-UHFFFAOYSA-N 1 1 450.628 2.782 20 0 JFADMO Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290793725 1062700655 /nfs/dbraw/zinc/70/06/55/1062700655.db2.gz VVODFSNNUUORTN-FGZHOGPDSA-N 1 1 470.618 2.839 20 0 JFADMO Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290793725 1062700671 /nfs/dbraw/zinc/70/06/71/1062700671.db2.gz VVODFSNNUUORTN-FGZHOGPDSA-N 1 1 470.618 2.839 20 0 JFADMO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290794235 1062701052 /nfs/dbraw/zinc/70/10/52/1062701052.db2.gz ZKSCQKCFSYWLTC-BGYRXZFFSA-N 1 1 470.666 2.725 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928121 1062702202 /nfs/dbraw/zinc/70/22/02/1062702202.db2.gz XDHQUBPRDHFTKN-RXVVDRJESA-N 1 1 470.618 2.942 20 0 JFADMO CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)c2)c1C(F)(F)F ZINC001290797391 1062702314 /nfs/dbraw/zinc/70/23/14/1062702314.db2.gz GSGLSWRAPJVKRI-FQEVSTJZSA-N 1 1 454.449 2.853 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001290800426 1062705323 /nfs/dbraw/zinc/70/53/23/1062705323.db2.gz GWYCSLLFUAWPDI-IBGZPJMESA-N 1 1 454.619 2.597 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001290800426 1062705338 /nfs/dbraw/zinc/70/53/38/1062705338.db2.gz GWYCSLLFUAWPDI-IBGZPJMESA-N 1 1 454.619 2.597 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287222748 1062709486 /nfs/dbraw/zinc/70/94/86/1062709486.db2.gz JDJRMIWIHARZCA-OAQYLSRUSA-N 1 1 492.615 2.990 20 0 JFADMO CC[C@@H](CNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001290815862 1062713358 /nfs/dbraw/zinc/71/33/58/1062713358.db2.gz ZWEXUMCNVJUJQN-LEWJYISDSA-N 1 1 458.628 2.933 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2CC[N@@H+](C)C(C)C)cc1OC ZINC001294939258 1062718921 /nfs/dbraw/zinc/71/89/21/1062718921.db2.gz NISVXWNRIALXGN-UHFFFAOYSA-N 1 1 474.606 2.971 20 0 JFADMO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290824894 1062719290 /nfs/dbraw/zinc/71/92/90/1062719290.db2.gz RYLMBHKHYUPYNR-RTWAWAEBSA-N 1 1 464.655 2.907 20 0 JFADMO Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001290832002 1062724277 /nfs/dbraw/zinc/72/42/77/1062724277.db2.gz JWAZXLXGMTVKSY-GOTSBHOMSA-N 1 1 468.646 2.723 20 0 JFADMO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001287232705 1062725126 /nfs/dbraw/zinc/72/51/26/1062725126.db2.gz WGSXKYATUFAIRS-IBGZPJMESA-N 1 1 474.654 2.902 20 0 JFADMO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001287232705 1062725146 /nfs/dbraw/zinc/72/51/46/1062725146.db2.gz WGSXKYATUFAIRS-IBGZPJMESA-N 1 1 474.654 2.902 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001294941198 1062727214 /nfs/dbraw/zinc/72/72/14/1062727214.db2.gz XBVZRNMBUMXOPP-NHCUHLMSSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001294941233 1062727982 /nfs/dbraw/zinc/72/79/82/1062727982.db2.gz YBKAONGQLWWLFZ-GOSISDBHSA-N 1 1 493.612 2.815 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001290841600 1062729848 /nfs/dbraw/zinc/72/98/48/1062729848.db2.gz OPAPOWPSVYYWJG-WZONZLPQSA-N 1 1 463.600 2.503 20 0 JFADMO CCCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC001294947009 1062732143 /nfs/dbraw/zinc/73/21/43/1062732143.db2.gz CGOIWNHWJFJOAT-UHFFFAOYSA-N 1 1 469.634 2.768 20 0 JFADMO CCCOc1ccc(Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC001294947009 1062732172 /nfs/dbraw/zinc/73/21/72/1062732172.db2.gz CGOIWNHWJFJOAT-UHFFFAOYSA-N 1 1 469.634 2.768 20 0 JFADMO CC(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287249284 1062734710 /nfs/dbraw/zinc/73/47/10/1062734710.db2.gz NJZWKVFWSXYRGE-UHFFFAOYSA-N 1 1 455.607 2.910 20 0 JFADMO Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853017 1062738173 /nfs/dbraw/zinc/73/81/73/1062738173.db2.gz UKONINRUMSPEFS-QFIPXVFZSA-N 1 1 497.644 2.919 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001290856392 1062739853 /nfs/dbraw/zinc/73/98/53/1062739853.db2.gz DBRNFMANNSZFSZ-IBGZPJMESA-N 1 1 470.618 2.913 20 0 JFADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)cc2)CC1 ZINC001290859565 1062743646 /nfs/dbraw/zinc/74/36/46/1062743646.db2.gz DNALKUAIGSMIDB-UHFFFAOYSA-N 1 1 454.571 2.580 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001290861906 1062745711 /nfs/dbraw/zinc/74/57/11/1062745711.db2.gz AEDZLXYLRKZCML-RTBURBONSA-N 1 1 452.640 2.767 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC001294966654 1062748130 /nfs/dbraw/zinc/74/81/30/1062748130.db2.gz GVLZWMYBEZUWCW-QGPMSJSTSA-N 1 1 457.434 2.784 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC001294966654 1062748152 /nfs/dbraw/zinc/74/81/52/1062748152.db2.gz GVLZWMYBEZUWCW-QGPMSJSTSA-N 1 1 457.434 2.784 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290868451 1062751351 /nfs/dbraw/zinc/75/13/51/1062751351.db2.gz YIJFJKHYONVYGR-BHDDXSALSA-N 1 1 473.710 2.724 20 0 JFADMO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)c1ccsc1 ZINC001290868628 1062752006 /nfs/dbraw/zinc/75/20/06/1062752006.db2.gz BYBUINFMWKPZCB-FQEVSTJZSA-N 1 1 456.568 2.756 20 0 JFADMO CCCOc1ccc(Cn2c(N3CC[N@@H+](CC)[C@@H](C)C3)nnc2[C@]2(OCC)CCOC2)cn1 ZINC001294971975 1062753598 /nfs/dbraw/zinc/75/35/98/1062753598.db2.gz QCQLOHRQJMIOQR-CYFREDJKSA-N 1 1 458.607 2.693 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290870820 1062756953 /nfs/dbraw/zinc/75/69/53/1062756953.db2.gz YDBFUKWURKBGIH-QPPBQGQZSA-N 1 1 467.662 2.535 20 0 JFADMO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294976866 1062760887 /nfs/dbraw/zinc/76/08/87/1062760887.db2.gz DMWLWUUTZAYTSZ-PZJWPPBQSA-N 1 1 469.634 2.767 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001287287450 1062761764 /nfs/dbraw/zinc/76/17/64/1062761764.db2.gz MUPMGKRUKRRLPG-HBMCJLEFSA-N 1 1 492.665 2.932 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001287287451 1062761834 /nfs/dbraw/zinc/76/18/34/1062761834.db2.gz MUPMGKRUKRRLPG-HKBOAZHASA-N 1 1 492.665 2.932 20 0 JFADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001290902884 1062777696 /nfs/dbraw/zinc/77/76/96/1062777696.db2.gz QKEWIYFYQZPYGT-QUCCMNQESA-N 1 1 474.654 2.507 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287308475 1062781044 /nfs/dbraw/zinc/78/10/44/1062781044.db2.gz PTOWHININOKSJA-GGAORHGYSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287308475 1062781065 /nfs/dbraw/zinc/78/10/65/1062781065.db2.gz PTOWHININOKSJA-GGAORHGYSA-N 1 1 456.635 2.872 20 0 JFADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290908603 1062784143 /nfs/dbraw/zinc/78/41/43/1062784143.db2.gz JHZJKPLWVBKONA-INIZCTEOSA-N 1 1 454.579 2.691 20 0 JFADMO Cc1noc(C)c1[C@@H](C)Cn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290908603 1062784160 /nfs/dbraw/zinc/78/41/60/1062784160.db2.gz JHZJKPLWVBKONA-INIZCTEOSA-N 1 1 454.579 2.691 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295005322 1062792191 /nfs/dbraw/zinc/79/21/91/1062792191.db2.gz FBTWDZVKWCRLPT-YADHBBJMSA-N 1 1 476.666 2.543 20 0 JFADMO CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295008915 1062796682 /nfs/dbraw/zinc/79/66/82/1062796682.db2.gz QPKZEQNEKJKBBK-NZQKXSOJSA-N 1 1 484.645 2.548 20 0 JFADMO CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001295008916 1062796859 /nfs/dbraw/zinc/79/68/59/1062796859.db2.gz QPKZEQNEKJKBBK-OFNKIYASSA-N 1 1 484.645 2.548 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295014588 1062803806 /nfs/dbraw/zinc/80/38/06/1062803806.db2.gz DJHBWXACNQNNDM-IBGZPJMESA-N 1 1 477.679 2.692 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001295014542 1062803963 /nfs/dbraw/zinc/80/39/63/1062803963.db2.gz CRAAOMNUEJKZDV-SFHVURJKSA-N 1 1 452.669 2.576 20 0 JFADMO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328927 1062804207 /nfs/dbraw/zinc/80/42/07/1062804207.db2.gz OXPPBAKLGJIDKF-DNQXCXABSA-N 1 1 498.720 2.548 20 0 JFADMO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328929 1062804320 /nfs/dbraw/zinc/80/43/20/1062804320.db2.gz OXPPBAKLGJIDKF-ZEQRLZLVSA-N 1 1 498.720 2.548 20 0 JFADMO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328926 1062804579 /nfs/dbraw/zinc/80/45/79/1062804579.db2.gz OXPPBAKLGJIDKF-BJKOFHAPSA-N 1 1 498.720 2.548 20 0 JFADMO CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001287332797 1062810263 /nfs/dbraw/zinc/81/02/63/1062810263.db2.gz RVSRJBCJOAZABR-HXUWFJFHSA-N 1 1 490.722 2.745 20 0 JFADMO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287335711 1062814786 /nfs/dbraw/zinc/81/47/86/1062814786.db2.gz WMISWALZGQSHDJ-RPWUZVMVSA-N 1 1 469.678 2.789 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295020770 1062821689 /nfs/dbraw/zinc/82/16/89/1062821689.db2.gz DLQHKQBKCQRDFQ-RTBURBONSA-N 1 1 466.696 2.649 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCN1CCCS1(=O)=O ZINC001287349743 1062822509 /nfs/dbraw/zinc/82/25/09/1062822509.db2.gz BCCYZXDLSVZWTL-QFIPXVFZSA-N 1 1 474.675 2.613 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@@H](CC)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295021466 1062823860 /nfs/dbraw/zinc/82/38/60/1062823860.db2.gz KODBHRMESIYBAH-HSZRJFAPSA-N 1 1 488.702 2.976 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287352694 1062824440 /nfs/dbraw/zinc/82/44/40/1062824440.db2.gz PRCFTJFKCCWRNJ-VXKWHMMOSA-N 1 1 470.666 2.873 20 0 JFADMO CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001287355301 1062825507 /nfs/dbraw/zinc/82/55/07/1062825507.db2.gz FQLUEXJNIJTJQB-IBGZPJMESA-N 1 1 454.685 2.601 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287356026 1062827106 /nfs/dbraw/zinc/82/71/06/1062827106.db2.gz JVTGNGGSOBIGCF-VXKWHMMOSA-N 1 1 459.660 2.665 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001295024124 1062829641 /nfs/dbraw/zinc/82/96/41/1062829641.db2.gz WIFFJIOCTZQDLU-TZIWHRDSSA-N 1 1 482.695 2.692 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287369332 1062831860 /nfs/dbraw/zinc/83/18/60/1062831860.db2.gz VSPNLGNCSGECCV-CALCHBBNSA-N 1 1 468.597 2.857 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287400514 1062845633 /nfs/dbraw/zinc/84/56/33/1062845633.db2.gz ULJYJPNWWMADJK-OAQYLSRUSA-N 1 1 467.540 2.829 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295045570 1062846758 /nfs/dbraw/zinc/84/67/58/1062846758.db2.gz ROXOKGJENXZMSM-NJYVYQBISA-N 1 1 492.665 2.586 20 0 JFADMO Cc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)CC2)n1 ZINC001290972679 1062849741 /nfs/dbraw/zinc/84/97/41/1062849741.db2.gz GXLMPZDJQKDVRC-UHFFFAOYSA-N 1 1 476.695 2.854 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295056906 1062862070 /nfs/dbraw/zinc/86/20/70/1062862070.db2.gz HJAYADYTZDTOIC-DENIHFKCSA-N 1 1 468.646 2.878 20 0 JFADMO CC(C)Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001287427725 1062866737 /nfs/dbraw/zinc/86/67/37/1062866737.db2.gz RPSBYCCGAOQGCX-FQEVSTJZSA-N 1 1 489.686 2.759 20 0 JFADMO CC(C)Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001287427725 1062866754 /nfs/dbraw/zinc/86/67/54/1062866754.db2.gz RPSBYCCGAOQGCX-FQEVSTJZSA-N 1 1 489.686 2.759 20 0 JFADMO CC(C)Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001287427726 1062866874 /nfs/dbraw/zinc/86/68/74/1062866874.db2.gz RPSBYCCGAOQGCX-HXUWFJFHSA-N 1 1 489.686 2.759 20 0 JFADMO CC(C)Cc1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001287427726 1062866901 /nfs/dbraw/zinc/86/69/01/1062866901.db2.gz RPSBYCCGAOQGCX-HXUWFJFHSA-N 1 1 489.686 2.759 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)CC2)c1 ZINC001295059457 1062871162 /nfs/dbraw/zinc/87/11/62/1062871162.db2.gz BECKDGIVOJXJQM-DEOSSOPVSA-N 1 1 450.583 2.803 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)CC2)c1 ZINC001295059457 1062871192 /nfs/dbraw/zinc/87/11/92/1062871192.db2.gz BECKDGIVOJXJQM-DEOSSOPVSA-N 1 1 450.583 2.803 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001295061757 1062874269 /nfs/dbraw/zinc/87/42/69/1062874269.db2.gz DGIGZZVWESDSFA-UHFFFAOYSA-N 1 1 485.036 2.749 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC001295061863 1062874372 /nfs/dbraw/zinc/87/43/72/1062874372.db2.gz VILZEXBTBKEZGY-XMMPIXPASA-N 1 1 450.583 2.803 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC001295061863 1062874389 /nfs/dbraw/zinc/87/43/89/1062874389.db2.gz VILZEXBTBKEZGY-XMMPIXPASA-N 1 1 450.583 2.803 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001295065356 1062882148 /nfs/dbraw/zinc/88/21/48/1062882148.db2.gz DTXUPEHDLOTQIG-UHFFFAOYSA-N 1 1 450.591 2.530 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)C1 ZINC001290990528 1062883619 /nfs/dbraw/zinc/88/36/19/1062883619.db2.gz UKORDDQEFBFVEV-CEXWTWQISA-N 1 1 455.607 2.907 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)N(C)C ZINC001287450545 1062887743 /nfs/dbraw/zinc/88/77/43/1062887743.db2.gz JSFMROCUQVOKGD-AREMUKBSSA-N 1 1 468.646 2.826 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)N(C)C ZINC001287450545 1062887761 /nfs/dbraw/zinc/88/77/61/1062887761.db2.gz JSFMROCUQVOKGD-AREMUKBSSA-N 1 1 468.646 2.826 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001290997841 1062890157 /nfs/dbraw/zinc/89/01/57/1062890157.db2.gz NBQUESZUOFTGPJ-ZCNNSNEGSA-N 1 1 453.635 2.687 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998755 1062893019 /nfs/dbraw/zinc/89/30/19/1062893019.db2.gz PZWIQEDYIHMRBJ-YRPNKDGESA-N 1 1 484.711 2.506 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998756 1062893191 /nfs/dbraw/zinc/89/31/91/1062893191.db2.gz PZWIQEDYIHMRBJ-ZGXWSNOMSA-N 1 1 484.711 2.506 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000296 1062895405 /nfs/dbraw/zinc/89/54/05/1062895405.db2.gz VOFGOQNYCBPZQJ-KYHREEPGSA-N 1 1 496.722 2.649 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000680 1062896214 /nfs/dbraw/zinc/89/62/14/1062896214.db2.gz WUYZUOOJHHYOLM-XCDZQEORSA-N 1 1 454.685 2.880 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000678 1062896299 /nfs/dbraw/zinc/89/62/99/1062896299.db2.gz WUYZUOOJHHYOLM-MTHXSQLBSA-N 1 1 454.685 2.880 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291001490 1062896999 /nfs/dbraw/zinc/89/69/99/1062896999.db2.gz REUAIJDSZCFDID-FGTMMUONSA-N 1 1 489.690 2.726 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462906 1062904080 /nfs/dbraw/zinc/90/40/80/1062904080.db2.gz VAYXGTBREFGMHD-BWKNWUBXSA-N 1 1 489.064 2.781 20 0 JFADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010014 1062907881 /nfs/dbraw/zinc/90/78/81/1062907881.db2.gz NXCFFRLOWRBSST-BDTNDASRSA-N 1 1 473.710 2.949 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291010155 1062908372 /nfs/dbraw/zinc/90/83/72/1062908372.db2.gz PJECFSFDRAUDCK-ZCNNSNEGSA-N 1 1 455.607 2.909 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291010153 1062908422 /nfs/dbraw/zinc/90/84/22/1062908422.db2.gz PJECFSFDRAUDCK-HSALFYBXSA-N 1 1 455.607 2.909 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001295078928 1062908670 /nfs/dbraw/zinc/90/86/70/1062908670.db2.gz STWCEDLBIQKHOW-RTBURBONSA-N 1 1 457.596 2.679 20 0 JFADMO CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011049 1062910986 /nfs/dbraw/zinc/91/09/86/1062910986.db2.gz DWDDIKOZGLFUHU-RHGYRFJNSA-N 1 1 459.639 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001287465540 1062912869 /nfs/dbraw/zinc/91/28/69/1062912869.db2.gz MRKCOOQXYGEFQL-VXKWHMMOSA-N 1 1 473.710 2.778 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011809 1062913776 /nfs/dbraw/zinc/91/37/76/1062913776.db2.gz PZCTVCLZEHSJTL-PLACYPQZSA-N 1 1 469.696 2.800 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012706 1062917843 /nfs/dbraw/zinc/91/78/43/1062917843.db2.gz DBUNVAOHHIBJCK-WCIQWLHISA-N 1 1 489.665 2.701 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291013592 1062920770 /nfs/dbraw/zinc/92/07/70/1062920770.db2.gz PCBYGBUWBUCGGD-KDURUIRLSA-N 1 1 460.648 2.722 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291013694 1062920856 /nfs/dbraw/zinc/92/08/56/1062920856.db2.gz QIWUKDVOWFWTHJ-BGYRXZFFSA-N 1 1 483.665 2.733 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481545 1062937065 /nfs/dbraw/zinc/93/70/65/1062937065.db2.gz FNTAGTZBMWZAOS-HSZRJFAPSA-N 1 1 458.626 2.895 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001287482431 1062938865 /nfs/dbraw/zinc/93/88/65/1062938865.db2.gz UAORVMJMNPWADL-JOCHJYFZSA-N 1 1 462.683 2.525 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)CC2)c1 ZINC001295125797 1062939161 /nfs/dbraw/zinc/93/91/61/1062939161.db2.gz BAYBIVZTJHPWFO-UHFFFAOYSA-N 1 1 481.567 2.601 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)CC2)c1 ZINC001295126198 1062940138 /nfs/dbraw/zinc/94/01/38/1062940138.db2.gz CTPAMBCTQLLKCH-NTKDMRAZSA-N 1 1 492.690 2.784 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291022841 1062943234 /nfs/dbraw/zinc/94/32/34/1062943234.db2.gz MDICAUNQIKKRGL-NCXUSEDFSA-N 1 1 496.703 2.648 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC001295126912 1062943691 /nfs/dbraw/zinc/94/36/91/1062943691.db2.gz IXMCNSIZSPOAPI-NRFANRHFSA-N 1 1 483.642 2.639 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)c1 ZINC001295126940 1062944493 /nfs/dbraw/zinc/94/44/93/1062944493.db2.gz JZNGIGGGILRFME-GHTZIAJQSA-N 1 1 486.642 2.975 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291023079 1062944560 /nfs/dbraw/zinc/94/45/60/1062944560.db2.gz PIEZIMNQBJIDIP-VSKRKVRLSA-N 1 1 457.619 2.779 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001287487658 1062944950 /nfs/dbraw/zinc/94/49/50/1062944950.db2.gz YOIPOAVPLHKKIU-LJQANCHMSA-N 1 1 461.632 2.634 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCCN(C(C)=O)CC2)c1 ZINC001295127372 1062946078 /nfs/dbraw/zinc/94/60/78/1062946078.db2.gz PDEPSRWGQXGPMU-UHFFFAOYSA-N 1 1 461.614 2.823 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C(=O)NC)CC2)c1 ZINC001295127389 1062946412 /nfs/dbraw/zinc/94/64/12/1062946412.db2.gz QCLMUPZETYPOIG-UHFFFAOYSA-N 1 1 461.614 2.726 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)c1 ZINC001295127722 1062947075 /nfs/dbraw/zinc/94/70/75/1062947075.db2.gz SZAZRAHNJFLEFV-GOSISDBHSA-N 1 1 456.616 2.709 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295127969 1062947840 /nfs/dbraw/zinc/94/78/40/1062947840.db2.gz XYAVSHBNXORDHB-OYRHEFFESA-N 1 1 478.645 2.781 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295132033 1062949376 /nfs/dbraw/zinc/94/93/76/1062949376.db2.gz KXYQOCFNBLGLJT-NHCUHLMSSA-N 1 1 461.632 2.643 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287497221 1062950933 /nfs/dbraw/zinc/95/09/33/1062950933.db2.gz MYINVQANDMXEGT-RTWAWAEBSA-N 1 1 494.681 2.707 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287504893 1062953492 /nfs/dbraw/zinc/95/34/92/1062953492.db2.gz BFEKADLMJQUDHM-PMACEKPBSA-N 1 1 464.655 2.937 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287505979 1062954253 /nfs/dbraw/zinc/95/42/53/1062954253.db2.gz PQJVIZJKWXZGEK-DFIYOIEZSA-N 1 1 476.666 2.937 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(C)C ZINC001295138962 1062957753 /nfs/dbraw/zinc/95/77/53/1062957753.db2.gz XZKIEJIUPXBLFR-OAQYLSRUSA-N 1 1 463.586 2.775 20 0 JFADMO C[C@H]1C[C@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291032495 1062964001 /nfs/dbraw/zinc/96/40/01/1062964001.db2.gz PJXRQABKMRRCIB-SIKLNZKXSA-N 1 1 474.675 2.611 20 0 JFADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145206 1062964893 /nfs/dbraw/zinc/96/48/93/1062964893.db2.gz AZCWUXOGSOHDPN-MJGOQNOKSA-N 1 1 456.486 2.593 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145206 1062964918 /nfs/dbraw/zinc/96/49/18/1062964918.db2.gz AZCWUXOGSOHDPN-MJGOQNOKSA-N 1 1 456.486 2.593 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(I)cc1 ZINC001295145552 1062965953 /nfs/dbraw/zinc/96/59/53/1062965953.db2.gz FUBNQVBMKJQYFQ-HKUYNNGSSA-N 1 1 450.320 2.904 20 0 JFADMO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001295157733 1062981544 /nfs/dbraw/zinc/98/15/44/1062981544.db2.gz IPVPBTQWSJDQPZ-NHCUHLMSSA-N 1 1 496.077 2.849 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 ZINC001291052778 1062985175 /nfs/dbraw/zinc/98/51/75/1062985175.db2.gz YBYCVJLMWNFIED-ROKPMTFOSA-N 1 1 464.724 2.730 20 0 JFADMO CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295170924 1062994689 /nfs/dbraw/zinc/99/46/89/1062994689.db2.gz RBVGDRGZIXZBEJ-QGZVFWFLSA-N 1 1 479.006 2.826 20 0 JFADMO CCN(c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC001295170975 1062994855 /nfs/dbraw/zinc/99/48/55/1062994855.db2.gz RPOSSVZFDBJWPS-UHFFFAOYSA-N 1 1 479.398 3.000 20 0 JFADMO CCN(c1nnc(-c2ccccc2OC)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295180489 1063002893 /nfs/dbraw/zinc/00/28/93/1063002893.db2.gz KOORIPXQQNLJOE-LJQANCHMSA-N 1 1 472.615 2.952 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001291063410 1063004791 /nfs/dbraw/zinc/00/47/91/1063004791.db2.gz PXCZBPLIKSMLKL-GOSISDBHSA-N 1 1 489.690 2.593 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295184984 1063008283 /nfs/dbraw/zinc/00/82/83/1063008283.db2.gz PXNOTQYTBHXDTL-VQTJNVASSA-N 1 1 460.648 2.866 20 0 JFADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001291073976 1063021934 /nfs/dbraw/zinc/02/19/34/1063021934.db2.gz JDHNELVODYMERW-FCEUIQTBSA-N 1 1 496.722 2.890 20 0 JFADMO CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295216150 1063029957 /nfs/dbraw/zinc/02/99/57/1063029957.db2.gz HCQAKIZUEJSADT-GHTZIAJQSA-N 1 1 477.631 2.534 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@H](C)C1)C1CCCCC1 ZINC001295216187 1063030494 /nfs/dbraw/zinc/03/04/94/1063030494.db2.gz HFHRQUQYNOQXIA-PZJWPPBQSA-N 1 1 482.695 2.502 20 0 JFADMO C[C@@H]1CCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291080744 1063036921 /nfs/dbraw/zinc/03/69/21/1063036921.db2.gz SVHGFNLXNZYAFW-CJFMBICVSA-N 1 1 456.635 2.610 20 0 JFADMO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC001295220231 1063039617 /nfs/dbraw/zinc/03/96/17/1063039617.db2.gz VJORHETVJUDLOQ-NLFFAJNJSA-N 1 1 492.665 2.812 20 0 JFADMO CCC[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC[N@H+]1CCOC ZINC001295223115 1063043515 /nfs/dbraw/zinc/04/35/15/1063043515.db2.gz KURJYZUFRNHUKW-QFIPXVFZSA-N 1 1 459.612 2.738 20 0 JFADMO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001295225575 1063044644 /nfs/dbraw/zinc/04/46/44/1063044644.db2.gz VAXOHAIAKRKJCD-JRGCBEDISA-N 1 1 451.658 2.562 20 0 JFADMO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001295225572 1063044684 /nfs/dbraw/zinc/04/46/84/1063044684.db2.gz VAXOHAIAKRKJCD-DZFGPLHGSA-N 1 1 451.658 2.562 20 0 JFADMO CCN(c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226245 1063045695 /nfs/dbraw/zinc/04/56/95/1063045695.db2.gz UCWVQLGFOFQCQL-DENIHFKCSA-N 1 1 459.660 2.923 20 0 JFADMO CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1)C(C)C ZINC001287711493 1063046045 /nfs/dbraw/zinc/04/60/45/1063046045.db2.gz KFEVQBDZOOGVQG-YDIMBITNSA-N 1 1 464.655 2.986 20 0 JFADMO CCN(c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295226584 1063046853 /nfs/dbraw/zinc/04/68/53/1063046853.db2.gz QMUFGDHJSBAHRM-INIZCTEOSA-N 1 1 455.575 2.501 20 0 JFADMO CCN(c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295226587 1063047554 /nfs/dbraw/zinc/04/75/54/1063047554.db2.gz QMUFGDHJSBAHRM-MRXNPFEDSA-N 1 1 455.575 2.501 20 0 JFADMO CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001287725621 1063051343 /nfs/dbraw/zinc/05/13/43/1063051343.db2.gz WWFRVWUIBVGIND-FQEVSTJZSA-N 1 1 480.654 2.790 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(ccnc3N(C)C)C2)C1 ZINC001287732958 1063054892 /nfs/dbraw/zinc/05/48/92/1063054892.db2.gz ANIPYDBZJNZJMS-FQEVSTJZSA-N 1 1 482.677 2.808 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095966 1063056319 /nfs/dbraw/zinc/05/63/19/1063056319.db2.gz VXXNVLMPPDBCNM-VQTJNVASSA-N 1 1 458.655 2.841 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCSCCCO)C1 ZINC001291096466 1063057526 /nfs/dbraw/zinc/05/75/26/1063057526.db2.gz FDJTUKQDFBLROJ-HKBOAZHASA-N 1 1 451.681 2.988 20 0 JFADMO CCN(c1nnc(Cc2ccsc2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295237068 1063057803 /nfs/dbraw/zinc/05/78/03/1063057803.db2.gz TYISXODUOSKLGA-IBGZPJMESA-N 1 1 462.645 2.929 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096866 1063059019 /nfs/dbraw/zinc/05/90/19/1063059019.db2.gz LWNGCZCXMRNJCD-AZUAARDMSA-N 1 1 475.588 2.736 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001291096905 1063059478 /nfs/dbraw/zinc/05/94/78/1063059478.db2.gz MRHLUUIUSDROPX-WOJBJXKFSA-N 1 1 466.696 2.918 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)C1 ZINC001287737165 1063060428 /nfs/dbraw/zinc/06/04/28/1063060428.db2.gz FSGUEMJZRZDZHG-MRXNPFEDSA-N 1 1 478.439 2.730 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291098109 1063060809 /nfs/dbraw/zinc/06/08/09/1063060809.db2.gz IAFKHWWFVIUVDR-QZTJIDSGSA-N 1 1 472.556 2.823 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291097883 1063061150 /nfs/dbraw/zinc/06/11/50/1063061150.db2.gz DJAYOXIZGHAOOH-LJQANCHMSA-N 1 1 485.658 2.983 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291098360 1063061542 /nfs/dbraw/zinc/06/15/42/1063061542.db2.gz MSJPEZIITUXJNS-IBGZPJMESA-N 1 1 485.599 2.853 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001291098626 1063062285 /nfs/dbraw/zinc/06/22/85/1063062285.db2.gz RGGCUZRDUPOESX-MOPGFXCFSA-N 1 1 485.599 2.851 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291098707 1063063409 /nfs/dbraw/zinc/06/34/09/1063063409.db2.gz STUOTKPBZVDNDQ-KURKYZTESA-N 1 1 493.596 2.602 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001287739912 1063063669 /nfs/dbraw/zinc/06/36/69/1063063669.db2.gz SZUFHTVTNYNDIF-IWDDHZBLSA-N 1 1 486.686 2.971 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)C1 ZINC001287739948 1063064312 /nfs/dbraw/zinc/06/43/12/1063064312.db2.gz TZQFJLBYUZUECY-ZWKOTPCHSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291099202 1063064693 /nfs/dbraw/zinc/06/46/93/1063064693.db2.gz CZGLAJPJGOSDOH-QUCCMNQESA-N 1 1 489.665 2.987 20 0 JFADMO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC001287740187 1063064960 /nfs/dbraw/zinc/06/49/60/1063064960.db2.gz FCNZRQWWMKCCOD-UHFFFAOYSA-N 1 1 468.646 2.761 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O ZINC001291099372 1063065320 /nfs/dbraw/zinc/06/53/20/1063065320.db2.gz FZACQCOVVQCDMN-KRWDZBQOSA-N 1 1 469.602 2.892 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001287740829 1063066962 /nfs/dbraw/zinc/06/69/62/1063066962.db2.gz HFNNQOOXSOKZFO-LJQANCHMSA-N 1 1 468.712 2.753 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291100045 1063067587 /nfs/dbraw/zinc/06/75/87/1063067587.db2.gz RJQVGXVOZRTNER-AQNXPRMDSA-N 1 1 489.665 2.939 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291100507 1063068027 /nfs/dbraw/zinc/06/80/27/1063068027.db2.gz BPPWYVYSYUHHQJ-LJQANCHMSA-N 1 1 496.660 2.918 20 0 JFADMO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1=O ZINC001287742243 1063069259 /nfs/dbraw/zinc/06/92/59/1063069259.db2.gz RSUHKYNUAOGJNF-UHFFFAOYSA-N 1 1 495.672 2.558 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001287743555 1063070843 /nfs/dbraw/zinc/07/08/43/1063070843.db2.gz YKNLAACGHIGKSS-ZWKOTPCHSA-N 1 1 466.677 2.641 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101878 1063074556 /nfs/dbraw/zinc/07/45/56/1063074556.db2.gz DBGFICHDJBRQFV-MSOLQXFVSA-N 1 1 490.674 2.667 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291102483 1063077505 /nfs/dbraw/zinc/07/75/05/1063077505.db2.gz OEIDMESYRHTFEU-SFHVURJKSA-N 1 1 477.679 2.549 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001291102620 1063078077 /nfs/dbraw/zinc/07/80/77/1063078077.db2.gz PYHYMUGMSHJEQS-IBGZPJMESA-N 1 1 470.666 2.932 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291102823 1063079160 /nfs/dbraw/zinc/07/91/60/1063079160.db2.gz TVASCWJJPTVQGC-RTBURBONSA-N 1 1 475.663 2.649 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001291103825 1063081537 /nfs/dbraw/zinc/08/15/37/1063081537.db2.gz LDKUSJUPMULLBO-SFTDATJTSA-N 1 1 476.666 2.541 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103960 1063082175 /nfs/dbraw/zinc/08/21/75/1063082175.db2.gz MUTJEBQNYZYFSG-AKHDSKFASA-N 1 1 455.669 2.898 20 0 JFADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104801 1063084950 /nfs/dbraw/zinc/08/49/50/1063084950.db2.gz AVOAXGKNNGIPGA-MKXGPGLRSA-N 1 1 450.653 2.662 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001287758796 1063084890 /nfs/dbraw/zinc/08/48/90/1063084890.db2.gz DMSQGUCZAAFAAN-FYYLOGMGSA-N 1 1 495.672 2.581 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCNC(=O)CC2)C1 ZINC001291104664 1063085110 /nfs/dbraw/zinc/08/51/10/1063085110.db2.gz YOLSTFJMRHAMGP-FQEVSTJZSA-N 1 1 454.619 2.736 20 0 JFADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104803 1063085255 /nfs/dbraw/zinc/08/52/55/1063085255.db2.gz AVOAXGKNNGIPGA-YRXWBPOGSA-N 1 1 450.653 2.662 20 0 JFADMO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291104890 1063085888 /nfs/dbraw/zinc/08/58/88/1063085888.db2.gz BJXSOJWPVXXPPX-ROUUACIJSA-N 1 1 473.647 2.532 20 0 JFADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291105251 1063086570 /nfs/dbraw/zinc/08/65/70/1063086570.db2.gz GXKHKZXWVDGHHP-JKSUJKDBSA-N 1 1 455.028 2.595 20 0 JFADMO CCN(C1CCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1)S(C)(=O)=O ZINC001295267478 1063087259 /nfs/dbraw/zinc/08/72/59/1063087259.db2.gz VBBOHJXQYDLTFQ-RXVVDRJESA-N 1 1 480.704 2.981 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295269062 1063089803 /nfs/dbraw/zinc/08/98/03/1063089803.db2.gz AXKDLOZTWPWFKL-UXHICEINSA-N 1 1 489.690 2.711 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106004 1063090821 /nfs/dbraw/zinc/09/08/21/1063090821.db2.gz QNSFJVLVNLYVCK-VTJXTGGHSA-N 1 1 478.439 2.858 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295269654 1063092910 /nfs/dbraw/zinc/09/29/10/1063092910.db2.gz MOUZGJCAXYEXMC-WOJBJXKFSA-N 1 1 491.706 2.654 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291107070 1063094597 /nfs/dbraw/zinc/09/45/97/1063094597.db2.gz FUXDFNBTQGKHSK-MSOLQXFVSA-N 1 1 467.611 2.597 20 0 JFADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107294 1063095377 /nfs/dbraw/zinc/09/53/77/1063095377.db2.gz HVZASORXVGOHFC-CEXWTWQISA-N 1 1 458.582 2.784 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107549 1063096286 /nfs/dbraw/zinc/09/62/86/1063096286.db2.gz KELRCQSLSTXHBV-YTZAWJCFSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107502 1063096467 /nfs/dbraw/zinc/09/64/67/1063096467.db2.gz JVAHGJMTFYPMPE-AOIWGVFYSA-N 1 1 486.583 2.797 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107550 1063097154 /nfs/dbraw/zinc/09/71/54/1063097154.db2.gz KEWAAMXXCNOAFF-CEXWTWQISA-N 1 1 455.669 2.552 20 0 JFADMO CCN(C1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCC[C@@H]2C)CC1)S(C)(=O)=O ZINC001295272498 1063097775 /nfs/dbraw/zinc/09/77/75/1063097775.db2.gz CMQBIUGIVSRNSY-SFHVURJKSA-N 1 1 480.704 2.665 20 0 JFADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108415 1063099474 /nfs/dbraw/zinc/09/94/74/1063099474.db2.gz VXRQWQGUPKZCIZ-AQNXPRMDSA-N 1 1 468.712 2.753 20 0 JFADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108416 1063099829 /nfs/dbraw/zinc/09/98/29/1063099829.db2.gz VXRQWQGUPKZCIZ-HSALFYBXSA-N 1 1 468.712 2.753 20 0 JFADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108477 1063101185 /nfs/dbraw/zinc/10/11/85/1063101185.db2.gz WONRNUCWPQEPTE-URVUXULASA-N 1 1 474.675 2.788 20 0 JFADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108476 1063101212 /nfs/dbraw/zinc/10/12/12/1063101212.db2.gz WONRNUCWPQEPTE-SJBKTWHCSA-N 1 1 474.675 2.788 20 0 JFADMO CCN(C1CCN(c2nnc(CC(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295273614 1063106185 /nfs/dbraw/zinc/10/61/85/1063106185.db2.gz MQLKJNSISIOENF-FQEVSTJZSA-N 1 1 468.712 2.847 20 0 JFADMO CCN(C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295274150 1063114867 /nfs/dbraw/zinc/11/48/67/1063114867.db2.gz VMHUKYTWJQMNQJ-PZJWPPBQSA-N 1 1 496.722 2.543 20 0 JFADMO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295280559 1063121894 /nfs/dbraw/zinc/12/18/94/1063121894.db2.gz JAYZORPFWZHCNV-IBGZPJMESA-N 1 1 467.618 2.643 20 0 JFADMO C[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001291122010 1063132957 /nfs/dbraw/zinc/13/29/57/1063132957.db2.gz IKIARBVEGZAJIB-MOPGFXCFSA-N 1 1 460.648 2.743 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295291389 1063135949 /nfs/dbraw/zinc/13/59/49/1063135949.db2.gz CAODSWVFFVBTPG-RPWUZVMVSA-N 1 1 498.672 2.739 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291123523 1063137169 /nfs/dbraw/zinc/13/71/69/1063137169.db2.gz LZWSTYFQYDFBBH-MRXNPFEDSA-N 1 1 478.439 2.826 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291123564 1063138499 /nfs/dbraw/zinc/13/84/99/1063138499.db2.gz MVOXZKNAUWTQFI-FQEVSTJZSA-N 1 1 481.645 2.762 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123627 1063139224 /nfs/dbraw/zinc/13/92/24/1063139224.db2.gz OBASVNNOPHZHPN-OAQYLSRUSA-N 1 1 487.693 2.910 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001291125094 1063146803 /nfs/dbraw/zinc/14/68/03/1063146803.db2.gz OQQNJLCHGNAJDQ-VQTJNVASSA-N 1 1 469.696 2.944 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(C3CCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291125644 1063148736 /nfs/dbraw/zinc/14/87/36/1063148736.db2.gz YETXPYGNMMABTL-IBGZPJMESA-N 1 1 466.696 2.823 20 0 JFADMO CC(C)NC(=O)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125758 1063149809 /nfs/dbraw/zinc/14/98/09/1063149809.db2.gz ASSKDPYSRMNKMB-GOSISDBHSA-N 1 1 490.052 2.554 20 0 JFADMO C[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291125685 1063149919 /nfs/dbraw/zinc/14/99/19/1063149919.db2.gz ZFAYWFNARHXVCB-YSFYHYPLSA-N 1 1 496.722 2.748 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125895 1063151338 /nfs/dbraw/zinc/15/13/38/1063151338.db2.gz CUHFXNOOELVJBN-KURKYZTESA-N 1 1 466.627 2.957 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126368 1063154690 /nfs/dbraw/zinc/15/46/90/1063154690.db2.gz LAMGDTCNEBELIU-HNNXBMFYSA-N 1 1 470.544 2.537 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001291126260 1063154715 /nfs/dbraw/zinc/15/47/15/1063154715.db2.gz JCMKNHNVKWKEMY-HNNXBMFYSA-N 1 1 487.468 2.639 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126430 1063155596 /nfs/dbraw/zinc/15/55/96/1063155596.db2.gz MHFPTZOGGLULRT-RBUKOAKNSA-N 1 1 490.674 2.749 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126928 1063156731 /nfs/dbraw/zinc/15/67/31/1063156731.db2.gz VSALZEXFEQYQTR-CVCYQNGTSA-N 1 1 460.648 2.522 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126954 1063157986 /nfs/dbraw/zinc/15/79/86/1063157986.db2.gz WHDRCDQTKLNQBF-IFMALSPDSA-N 1 1 454.619 2.944 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126955 1063158090 /nfs/dbraw/zinc/15/80/90/1063158090.db2.gz WHDRCDQTKLNQBF-IRLDBZIGSA-N 1 1 454.619 2.944 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127122 1063160311 /nfs/dbraw/zinc/16/03/11/1063160311.db2.gz ZAZDIDFXQCNUQO-ROUUACIJSA-N 1 1 458.582 2.991 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001291128145 1063163089 /nfs/dbraw/zinc/16/30/89/1063163089.db2.gz RUUIFLHJVIHPQJ-QGZVFWFLSA-N 1 1 481.567 2.910 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291129426 1063170792 /nfs/dbraw/zinc/17/07/92/1063170792.db2.gz NZFNWIZIXXNSTQ-RBBKRZOGSA-N 1 1 499.660 2.726 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCN2CCOCC2)C1 ZINC001291130661 1063176832 /nfs/dbraw/zinc/17/68/32/1063176832.db2.gz NATSVBYJOJYNJD-YPAWHYETSA-N 1 1 462.683 2.697 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291131110 1063178972 /nfs/dbraw/zinc/17/89/72/1063178972.db2.gz VKPKMHQNLLHXDF-VAMGGRTRSA-N 1 1 478.638 2.591 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC(=O)N1C ZINC001291131117 1063178997 /nfs/dbraw/zinc/17/89/97/1063178997.db2.gz VLTYQJFSMZLXQI-ZCNNSNEGSA-N 1 1 489.665 2.749 20 0 JFADMO C[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001291132747 1063180766 /nfs/dbraw/zinc/18/07/66/1063180766.db2.gz DJOQVQMNSQSZTL-SFHVURJKSA-N 1 1 460.627 2.904 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CCN1CCOCC1 ZINC001291135829 1063189023 /nfs/dbraw/zinc/18/90/23/1063189023.db2.gz KSAIJBUNCJSXGQ-SFHVURJKSA-N 1 1 477.451 2.960 20 0 JFADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137325 1063194349 /nfs/dbraw/zinc/19/43/49/1063194349.db2.gz ORHFVHVEMOEFIU-HBFSDRIKSA-N 1 1 476.647 2.501 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291137364 1063195495 /nfs/dbraw/zinc/19/54/95/1063195495.db2.gz PGPLIRWNHXVDBE-MSOLQXFVSA-N 1 1 458.611 2.609 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137405 1063196836 /nfs/dbraw/zinc/19/68/36/1063196836.db2.gz QIHNAJBCXTXEOL-ICSRJNTNSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291138472 1063199993 /nfs/dbraw/zinc/19/99/93/1063199993.db2.gz KETMWVXGZSBFBH-GOSISDBHSA-N 1 1 495.093 2.867 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291138961 1063201827 /nfs/dbraw/zinc/20/18/27/1063201827.db2.gz UCKXZUJFFJKXKX-SJORKVTESA-N 1 1 491.434 2.806 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291139103 1063202201 /nfs/dbraw/zinc/20/22/01/1063202201.db2.gz VWLQDJZKKWBYMR-ZWKOTPCHSA-N 1 1 477.654 2.577 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291139077 1063202308 /nfs/dbraw/zinc/20/23/08/1063202308.db2.gz VJPQJBUYWRRZKC-UYAOXDASSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001291139307 1063202879 /nfs/dbraw/zinc/20/28/79/1063202879.db2.gz ZPGWHNKAZKMGFX-LJQANCHMSA-N 1 1 468.627 2.788 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001295325866 1063211311 /nfs/dbraw/zinc/21/13/11/1063211311.db2.gz VAJUZWHMQOINTE-OALUTQOASA-N 1 1 487.674 2.591 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001295326790 1063216175 /nfs/dbraw/zinc/21/61/75/1063216175.db2.gz AWAUXTCMRVCSJT-UNMCSNQZSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001295326790 1063216197 /nfs/dbraw/zinc/21/61/97/1063216197.db2.gz AWAUXTCMRVCSJT-UNMCSNQZSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001295326903 1063217771 /nfs/dbraw/zinc/21/77/71/1063217771.db2.gz GDAAQBMZWJPFIH-UHFFFAOYSA-N 1 1 499.660 2.850 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001295326903 1063217792 /nfs/dbraw/zinc/21/77/92/1063217792.db2.gz GDAAQBMZWJPFIH-UHFFFAOYSA-N 1 1 499.660 2.850 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063218987 /nfs/dbraw/zinc/21/89/87/1063218987.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 1 1 498.720 2.785 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)s2)CC1 ZINC001295326933 1063219395 /nfs/dbraw/zinc/21/93/95/1063219395.db2.gz HEALOEPYXXXTAR-UHFFFAOYSA-N 1 1 491.065 2.822 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(Cl)s2)CC1 ZINC001295326933 1063219409 /nfs/dbraw/zinc/21/94/09/1063219409.db2.gz HEALOEPYXXXTAR-UHFFFAOYSA-N 1 1 491.065 2.822 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220103 /nfs/dbraw/zinc/22/01/03/1063220103.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 1 1 496.704 2.761 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2)CC1 ZINC001295327296 1063222004 /nfs/dbraw/zinc/22/20/04/1063222004.db2.gz QMNPQACPTFXFBV-UHFFFAOYSA-N 1 1 465.602 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2)CC1 ZINC001295327296 1063222023 /nfs/dbraw/zinc/22/20/23/1063222023.db2.gz QMNPQACPTFXFBV-UHFFFAOYSA-N 1 1 465.602 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3OC)n2Cc2c(C)noc2C)CC1 ZINC001295327549 1063225363 /nfs/dbraw/zinc/22/53/63/1063225363.db2.gz XDXKBOZYKJQGIM-UHFFFAOYSA-N 1 1 495.628 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3OC)n2Cc2c(C)noc2C)CC1 ZINC001295327549 1063225376 /nfs/dbraw/zinc/22/53/76/1063225376.db2.gz XDXKBOZYKJQGIM-UHFFFAOYSA-N 1 1 495.628 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(F)(F)F)CC1 ZINC001295327597 1063225475 /nfs/dbraw/zinc/22/54/75/1063225475.db2.gz YPFCPPBPEYNERY-UHFFFAOYSA-N 1 1 498.550 2.905 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(F)(F)F)CC1 ZINC001295327597 1063225497 /nfs/dbraw/zinc/22/54/97/1063225497.db2.gz YPFCPPBPEYNERY-UHFFFAOYSA-N 1 1 498.550 2.905 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001291144715 1063226747 /nfs/dbraw/zinc/22/67/47/1063226747.db2.gz TVHCKHIOSPBOTO-JTHBVZDNSA-N 1 1 494.750 2.857 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001291144715 1063226761 /nfs/dbraw/zinc/22/67/61/1063226761.db2.gz TVHCKHIOSPBOTO-JTHBVZDNSA-N 1 1 494.750 2.857 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001291144714 1063226901 /nfs/dbraw/zinc/22/69/01/1063226901.db2.gz TVHCKHIOSPBOTO-GMAHTHKFSA-N 1 1 494.750 2.857 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001291144714 1063226927 /nfs/dbraw/zinc/22/69/27/1063226927.db2.gz TVHCKHIOSPBOTO-GMAHTHKFSA-N 1 1 494.750 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CCOc2ccc(Cl)cn2)CC1 ZINC001295329031 1063227851 /nfs/dbraw/zinc/22/78/51/1063227851.db2.gz PLQPZONEXQNANQ-UHFFFAOYSA-N 1 1 478.041 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CCOc2ccc(Cl)cn2)CC1 ZINC001295329031 1063227871 /nfs/dbraw/zinc/22/78/71/1063227871.db2.gz PLQPZONEXQNANQ-UHFFFAOYSA-N 1 1 478.041 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2Cc2cccc(COC)c2)CC1 ZINC001295329752 1063230377 /nfs/dbraw/zinc/23/03/77/1063230377.db2.gz WOTZXGNZGXSUQC-UHFFFAOYSA-N 1 1 456.635 2.977 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2Cc2cccc(COC)c2)CC1 ZINC001295329752 1063230388 /nfs/dbraw/zinc/23/03/88/1063230388.db2.gz WOTZXGNZGXSUQC-UHFFFAOYSA-N 1 1 456.635 2.977 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291146528 1063230973 /nfs/dbraw/zinc/23/09/73/1063230973.db2.gz GMDWEWUZZPUMMH-YLJYHZDGSA-N 1 1 461.010 2.555 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1(C)C ZINC001291146579 1063231664 /nfs/dbraw/zinc/23/16/64/1063231664.db2.gz HLXSGMSWOUWEID-MZNJEOGPSA-N 1 1 475.037 2.801 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@H]2C[C@@H]2C)CC1 ZINC001295333830 1063233815 /nfs/dbraw/zinc/23/38/15/1063233815.db2.gz BJOTXNVQYXSRNK-FPOVZHCZSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@H]2C[C@@H]2C)CC1 ZINC001295333830 1063233837 /nfs/dbraw/zinc/23/38/37/1063233837.db2.gz BJOTXNVQYXSRNK-FPOVZHCZSA-N 1 1 454.619 2.839 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001291147731 1063234346 /nfs/dbraw/zinc/23/43/46/1063234346.db2.gz DHTDPHIIRSFBJO-VUHPKUFZSA-N 1 1 466.677 2.879 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001291148232 1063234594 /nfs/dbraw/zinc/23/45/94/1063234594.db2.gz NQXDQKOLJVKQCY-RKVPGOIHSA-N 1 1 455.028 2.691 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2F)CC1 ZINC001295334025 1063234967 /nfs/dbraw/zinc/23/49/67/1063234967.db2.gz GBECDSWLCCCSHH-NRFANRHFSA-N 1 1 472.609 2.740 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2F)CC1 ZINC001295334025 1063234986 /nfs/dbraw/zinc/23/49/86/1063234986.db2.gz GBECDSWLCCCSHH-NRFANRHFSA-N 1 1 472.609 2.740 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCC(C)(F)F)CC1 ZINC001295334255 1063236442 /nfs/dbraw/zinc/23/64/42/1063236442.db2.gz IYGZMZKOGHPANA-UHFFFAOYSA-N 1 1 463.577 2.690 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCC(C)(F)F)CC1 ZINC001295334255 1063236461 /nfs/dbraw/zinc/23/64/61/1063236461.db2.gz IYGZMZKOGHPANA-UHFFFAOYSA-N 1 1 463.577 2.690 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001291150489 1063238647 /nfs/dbraw/zinc/23/86/47/1063238647.db2.gz DGNHDHBYUNNYOD-QRVBRYPASA-N 1 1 460.648 2.914 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC=CCO2)CC1 ZINC001295334419 1063239363 /nfs/dbraw/zinc/23/93/63/1063239363.db2.gz NOQVBGMDFJKLNF-OAQYLSRUSA-N 1 1 472.659 2.656 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H]2CC=CCO2)CC1 ZINC001295334419 1063239383 /nfs/dbraw/zinc/23/93/83/1063239383.db2.gz NOQVBGMDFJKLNF-OAQYLSRUSA-N 1 1 472.659 2.656 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCc2ccsc2)CC1 ZINC001295334466 1063240049 /nfs/dbraw/zinc/24/00/49/1063240049.db2.gz PDGLZFWOJGAQHV-UHFFFAOYSA-N 1 1 481.670 2.949 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCc2ccsc2)CC1 ZINC001295334466 1063240063 /nfs/dbraw/zinc/24/00/63/1063240063.db2.gz PDGLZFWOJGAQHV-UHFFFAOYSA-N 1 1 481.670 2.949 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295335032 1063247219 /nfs/dbraw/zinc/24/72/19/1063247219.db2.gz WWXJAACOADBYKW-AREMUKBSSA-N 1 1 488.652 2.904 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295335032 1063247239 /nfs/dbraw/zinc/24/72/39/1063247239.db2.gz WWXJAACOADBYKW-AREMUKBSSA-N 1 1 488.652 2.904 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295335034 1063247546 /nfs/dbraw/zinc/24/75/46/1063247546.db2.gz WWZACBUNIFMOGQ-AZUAARDMSA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295335034 1063247559 /nfs/dbraw/zinc/24/75/59/1063247559.db2.gz WWZACBUNIFMOGQ-AZUAARDMSA-N 1 1 489.690 2.731 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291164062 1063247842 /nfs/dbraw/zinc/24/78/42/1063247842.db2.gz QCFXWDLDBMOACD-IFMALSPDSA-N 1 1 475.659 2.708 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248063 /nfs/dbraw/zinc/24/80/63/1063248063.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 1 1 499.679 2.873 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2F)CC1 ZINC001295335316 1063250967 /nfs/dbraw/zinc/25/09/67/1063250967.db2.gz SRUWRLNJLPLQEF-OAQYLSRUSA-N 1 1 458.582 2.698 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2F)CC1 ZINC001295335316 1063250992 /nfs/dbraw/zinc/25/09/92/1063250992.db2.gz SRUWRLNJLPLQEF-OAQYLSRUSA-N 1 1 458.582 2.698 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291166757 1063253628 /nfs/dbraw/zinc/25/36/28/1063253628.db2.gz FSGSINMVDNVCRK-QUCCMNQESA-N 1 1 497.612 2.910 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291166757 1063253650 /nfs/dbraw/zinc/25/36/50/1063253650.db2.gz FSGSINMVDNVCRK-QUCCMNQESA-N 1 1 497.612 2.910 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001295338424 1063266182 /nfs/dbraw/zinc/26/61/82/1063266182.db2.gz ONHYQYLBVSMJOU-QFIPXVFZSA-N 1 1 473.710 2.874 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001295346381 1063287109 /nfs/dbraw/zinc/28/71/09/1063287109.db2.gz WZCBEPRKWPYAGO-UHFFFAOYSA-N 1 1 487.624 2.779 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001295346381 1063287123 /nfs/dbraw/zinc/28/71/23/1063287123.db2.gz WZCBEPRKWPYAGO-UHFFFAOYSA-N 1 1 487.624 2.779 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291186325 1063289453 /nfs/dbraw/zinc/28/94/53/1063289453.db2.gz DBKLKCQGSLRSHL-KDURUIRLSA-N 1 1 496.722 2.589 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186641 1063292205 /nfs/dbraw/zinc/29/22/05/1063292205.db2.gz IAPXBYLGCXCBFW-KDURUIRLSA-N 1 1 469.634 2.710 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc[nH+]c2C)CC1 ZINC001295349509 1063293086 /nfs/dbraw/zinc/29/30/86/1063293086.db2.gz SQQJYHNXWKOOAO-UHFFFAOYSA-N 1 1 466.590 2.743 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187021 1063294207 /nfs/dbraw/zinc/29/42/07/1063294207.db2.gz NWQIUYFUIOGHPH-OYRHEFFESA-N 1 1 483.661 2.923 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001295350367 1063294545 /nfs/dbraw/zinc/29/45/45/1063294545.db2.gz BAFYXBKPDLJDRD-UHFFFAOYSA-N 1 1 488.725 2.793 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001295350388 1063294576 /nfs/dbraw/zinc/29/45/76/1063294576.db2.gz BRSQYAURMHILJY-UHFFFAOYSA-N 1 1 491.644 2.841 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291188377 1063303038 /nfs/dbraw/zinc/30/30/38/1063303038.db2.gz JAVALPGNZYAKLX-KDURUIRLSA-N 1 1 498.738 2.520 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001291188420 1063303160 /nfs/dbraw/zinc/30/31/60/1063303160.db2.gz JUOIXUYMWDJRLV-HDICACEKSA-N 1 1 490.052 2.973 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291189251 1063308025 /nfs/dbraw/zinc/30/80/25/1063308025.db2.gz YCIRROMZBCUHTC-ZCNNSNEGSA-N 1 1 460.667 2.956 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291189388 1063309403 /nfs/dbraw/zinc/30/94/03/1063309403.db2.gz AEVXXLCCFTZCKP-CQSZACIVSA-N 1 1 497.463 2.547 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291189388 1063309425 /nfs/dbraw/zinc/30/94/25/1063309425.db2.gz AEVXXLCCFTZCKP-CQSZACIVSA-N 1 1 497.463 2.547 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295355647 1063309971 /nfs/dbraw/zinc/30/99/71/1063309971.db2.gz OZRPFEBLYOTRFZ-YADHBBJMSA-N 1 1 482.677 2.968 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295356803 1063312515 /nfs/dbraw/zinc/31/25/15/1063312515.db2.gz YDJLSHZFWSRTJH-UHFFFAOYSA-N 1 1 482.677 2.970 20 0 JFADMO C[N@@H+](CC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC001295361091 1063322008 /nfs/dbraw/zinc/32/20/08/1063322008.db2.gz XLPIRTRGMUYMBG-JWQCQUIFSA-N 1 1 451.611 2.782 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001295364740 1063327030 /nfs/dbraw/zinc/32/70/30/1063327030.db2.gz HHLQMJIUZHSXLE-WOJBJXKFSA-N 1 1 472.634 2.604 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295366163 1063329652 /nfs/dbraw/zinc/32/96/52/1063329652.db2.gz NFSMQCUMCIHMTN-RTBURBONSA-N 1 1 462.664 2.609 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCOCC1CCOCC1 ZINC001291197863 1063345880 /nfs/dbraw/zinc/34/58/80/1063345880.db2.gz LDPIFUPMSXEQDL-HXUWFJFHSA-N 1 1 476.666 2.560 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC001291201450 1063357373 /nfs/dbraw/zinc/35/73/73/1063357373.db2.gz WACUAWXJKMOWHF-DOTOQJQBSA-N 1 1 450.534 2.777 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001291201452 1063357420 /nfs/dbraw/zinc/35/74/20/1063357420.db2.gz WACUAWXJKMOWHF-RDJZCZTQSA-N 1 1 450.534 2.777 20 0 JFADMO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383930 1063357697 /nfs/dbraw/zinc/35/76/97/1063357697.db2.gz FYDRBFZTINAPJT-SESVDKBCSA-N 1 1 458.603 2.654 20 0 JFADMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383928 1063357749 /nfs/dbraw/zinc/35/77/49/1063357749.db2.gz FYDRBFZTINAPJT-CEWLAPEOSA-N 1 1 458.603 2.654 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001295384085 1063358511 /nfs/dbraw/zinc/35/85/11/1063358511.db2.gz FIMHNBQWXHMPKI-FGZHOGPDSA-N 1 1 467.662 2.842 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001295384084 1063358624 /nfs/dbraw/zinc/35/86/24/1063358624.db2.gz FIMHNBQWXHMPKI-FCHUYYIVSA-N 1 1 467.662 2.842 20 0 JFADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c12 ZINC001295384273 1063359042 /nfs/dbraw/zinc/35/90/42/1063359042.db2.gz ISLDQWYUGREPPC-HXUWFJFHSA-N 1 1 454.619 2.997 20 0 JFADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384269 1063359108 /nfs/dbraw/zinc/35/91/08/1063359108.db2.gz IQNNGHBOYSFFGP-OAHLLOKOSA-N 1 1 453.768 2.962 20 0 JFADMO COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2)c(OC)c1 ZINC001295384670 1063359843 /nfs/dbraw/zinc/35/98/43/1063359843.db2.gz LWOVOTBXJYEQKL-JOCHJYFZSA-N 1 1 452.555 2.826 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206457 1063368733 /nfs/dbraw/zinc/36/87/33/1063368733.db2.gz WWUYSIXGHIGSCJ-ROUUACIJSA-N 1 1 496.628 2.991 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(F)(F)F ZINC001291207698 1063376104 /nfs/dbraw/zinc/37/61/04/1063376104.db2.gz NTWDYPZWYMUZRL-HUUCEWRRSA-N 1 1 466.574 2.541 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291209811 1063385295 /nfs/dbraw/zinc/38/52/95/1063385295.db2.gz RNEQDUMCOLKGKF-SVFBPWRDSA-N 1 1 488.608 2.725 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210879 1063390926 /nfs/dbraw/zinc/39/09/26/1063390926.db2.gz KBELEELJWDDSMR-HOCLYGCPSA-N 1 1 469.453 2.824 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215772 1063430555 /nfs/dbraw/zinc/43/05/55/1063430555.db2.gz VNKJIZCNAQXBSU-RTBURBONSA-N 1 1 461.632 2.694 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295426831 1063439649 /nfs/dbraw/zinc/43/96/49/1063439649.db2.gz FMVBYCZTJVKUEQ-IBGZPJMESA-N 1 1 477.679 2.750 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001291220145 1063448253 /nfs/dbraw/zinc/44/82/53/1063448253.db2.gz YFDDYKVIIVPZTE-RXVVDRJESA-N 1 1 496.077 2.970 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001291220143 1063448390 /nfs/dbraw/zinc/44/83/90/1063448390.db2.gz YFDDYKVIIVPZTE-GHTZIAJQSA-N 1 1 496.077 2.970 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001295471945 1063476815 /nfs/dbraw/zinc/47/68/15/1063476815.db2.gz HHRAHSSFSDFEGB-NHCUHLMSSA-N 1 1 480.723 2.611 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001295471947 1063476865 /nfs/dbraw/zinc/47/68/65/1063476865.db2.gz HHRAHSSFSDFEGB-SFTDATJTSA-N 1 1 480.723 2.611 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291232165 1063489220 /nfs/dbraw/zinc/48/92/20/1063489220.db2.gz ICRAEGUNPGSHSL-SFHVURJKSA-N 1 1 460.648 2.864 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291234180 1063494932 /nfs/dbraw/zinc/49/49/32/1063494932.db2.gz QXBYWIOOSFRWIF-QUCCMNQESA-N 1 1 473.622 2.687 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291238124 1063505197 /nfs/dbraw/zinc/50/51/97/1063505197.db2.gz KBUDGMAPXCVHGU-FUHWJXTLSA-N 1 1 489.621 2.695 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291238123 1063505301 /nfs/dbraw/zinc/50/53/01/1063505301.db2.gz KBUDGMAPXCVHGU-AEFFLSMTSA-N 1 1 489.621 2.695 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@H+](C2CCC2)C1 ZINC001291240861 1063510885 /nfs/dbraw/zinc/51/08/85/1063510885.db2.gz GYGPQMWEELCWBF-TZMCWYRMSA-N 1 1 461.355 2.528 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241743 1063513368 /nfs/dbraw/zinc/51/33/68/1063513368.db2.gz SHCUVFALGMTVIY-OTWHNJEPSA-N 1 1 477.654 2.558 20 0 JFADMO C[C@H]1CN(c2nnc(C3CCC3)n2CC2CCN(CC[NH+](C)C)CC2)CCN1CC(F)(F)F ZINC001291242372 1063516250 /nfs/dbraw/zinc/51/62/50/1063516250.db2.gz ALQLESXLSCZSHX-SFHVURJKSA-N 1 1 471.616 2.892 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291248370 1063522437 /nfs/dbraw/zinc/52/24/37/1063522437.db2.gz PLOQGTPQRAWGGU-ZVVFGRKBSA-N 1 1 462.639 2.551 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291249960 1063528388 /nfs/dbraw/zinc/52/83/88/1063528388.db2.gz LUKKMRFXAHKCTG-NJYVYQBISA-N 1 1 492.665 2.586 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291252363 1063534290 /nfs/dbraw/zinc/53/42/90/1063534290.db2.gz SCGRFFBMBUNWKY-RTBURBONSA-N 1 1 462.639 2.960 20 0 JFADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001291256116 1063547186 /nfs/dbraw/zinc/54/71/86/1063547186.db2.gz PYHACCJXDQLOQX-RTWAWAEBSA-N 1 1 463.667 2.998 20 0 JFADMO CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291258454 1063550889 /nfs/dbraw/zinc/55/08/89/1063550889.db2.gz BQGUSVFYXVEYQE-GOSISDBHSA-N 1 1 454.685 2.505 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291259850 1063552964 /nfs/dbraw/zinc/55/29/64/1063552964.db2.gz ZHSKSFVOKRPWQV-MOPGFXCFSA-N 1 1 464.655 2.938 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001295521006 1063557463 /nfs/dbraw/zinc/55/74/63/1063557463.db2.gz YZPKJRQXJDOGAF-VLCRHTCISA-N 1 1 457.596 2.673 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001295521006 1063557477 /nfs/dbraw/zinc/55/74/77/1063557477.db2.gz YZPKJRQXJDOGAF-VLCRHTCISA-N 1 1 457.596 2.673 20 0 JFADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001291276562 1063586434 /nfs/dbraw/zinc/58/64/34/1063586434.db2.gz OBWHYVDHLVZRFW-FQEVSTJZSA-N 1 1 454.619 2.926 20 0 JFADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001291276971 1063588561 /nfs/dbraw/zinc/58/85/61/1063588561.db2.gz VOKQOWJNXAINOF-SFHVURJKSA-N 1 1 485.599 2.738 20 0 JFADMO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001291282106 1063610937 /nfs/dbraw/zinc/61/09/37/1063610937.db2.gz KLDCCEZYDMLMII-SBHAEUEKSA-N 1 1 461.582 2.967 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001295576080 1063614502 /nfs/dbraw/zinc/61/45/02/1063614502.db2.gz PFEDUWLBOJURMW-JKSUJKDBSA-N 1 1 493.584 2.652 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286979 1063635642 /nfs/dbraw/zinc/63/56/42/1063635642.db2.gz RYDAEEUBPLHKIB-OALUTQOASA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286979 1063635647 /nfs/dbraw/zinc/63/56/47/1063635647.db2.gz RYDAEEUBPLHKIB-OALUTQOASA-N 1 1 463.648 2.540 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)C[C@H](C)O1 ZINC001291287568 1063640620 /nfs/dbraw/zinc/64/06/20/1063640620.db2.gz FAQWMHMTKOZYQJ-LVCYWYKZSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC001291287638 1063641407 /nfs/dbraw/zinc/64/14/07/1063641407.db2.gz FXGRXGRSBJOHIO-MJGOQNOKSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287917 1063644306 /nfs/dbraw/zinc/64/43/06/1063644306.db2.gz JXTLPIHQPINQSU-ZSYWTGECSA-N 1 1 491.036 2.882 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288553 1063650270 /nfs/dbraw/zinc/65/02/70/1063650270.db2.gz UNAVLOOACLVKFE-LMVRJCEZSA-N 1 1 490.674 2.511 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CC(F)C2)C[C@H](C)O1 ZINC001291288576 1063650564 /nfs/dbraw/zinc/65/05/64/1063650564.db2.gz VAKWJDLRAPUYSU-LPOKXYRGSA-N 1 1 459.570 2.609 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC001291289434 1063656274 /nfs/dbraw/zinc/65/62/74/1063656274.db2.gz JRSMZKXZPUICNB-KDURUIRLSA-N 1 1 463.586 2.575 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccn3C)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001291289693 1063657922 /nfs/dbraw/zinc/65/79/22/1063657922.db2.gz OCIZRFZZEFQBTN-OYRHEFFESA-N 1 1 452.603 2.782 20 0 JFADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295608677 1063658765 /nfs/dbraw/zinc/65/87/65/1063658765.db2.gz XYQOQLIALWIUBP-HKUYNNGSSA-N 1 1 492.646 2.518 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 ZINC001291289875 1063660602 /nfs/dbraw/zinc/66/06/02/1063660602.db2.gz RHLDPJJMMXFBKN-WMZOPIPTSA-N 1 1 491.434 2.520 20 0 JFADMO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290080 1063662260 /nfs/dbraw/zinc/66/22/60/1063662260.db2.gz UTTJBHVAZVEXLQ-RTBURBONSA-N 1 1 483.583 2.857 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCO1 ZINC001291290063 1063662277 /nfs/dbraw/zinc/66/22/77/1063662277.db2.gz URSKOJHYUJTHJS-GOSISDBHSA-N 1 1 484.066 2.970 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291290512 1063664978 /nfs/dbraw/zinc/66/49/78/1063664978.db2.gz ATFJDYCMYUWJGA-JKSBSHDWSA-N 1 1 499.582 2.708 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@H](C)O1 ZINC001291291050 1063665511 /nfs/dbraw/zinc/66/55/11/1063665511.db2.gz JHWBKNNCFSPCRU-JZXOWHBKSA-N 1 1 472.556 2.897 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666505 /nfs/dbraw/zinc/66/65/05/1063666505.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 1 1 478.682 2.566 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291514 1063670903 /nfs/dbraw/zinc/67/09/03/1063670903.db2.gz QOTDXMYQXBXBQQ-OKZBNKHCSA-N 1 1 453.591 2.626 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291512 1063670938 /nfs/dbraw/zinc/67/09/38/1063670938.db2.gz QOTDXMYQXBXBQQ-KURKYZTESA-N 1 1 453.591 2.626 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291757 1063671950 /nfs/dbraw/zinc/67/19/50/1063671950.db2.gz UFRRBFIYCAFKNQ-QHAWAJNXSA-N 1 1 492.665 2.776 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291292413 1063675798 /nfs/dbraw/zinc/67/57/98/1063675798.db2.gz DBNXBXHMWJXXMH-RTBURBONSA-N 1 1 475.037 2.690 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1CC ZINC001295642767 1063685215 /nfs/dbraw/zinc/68/52/15/1063685215.db2.gz UPVXXUGALSJVGI-QUCCMNQESA-N 1 1 496.703 2.573 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CCCO1 ZINC001291293466 1063685225 /nfs/dbraw/zinc/68/52/25/1063685225.db2.gz VIKIMYZKVFCYRE-NRFANRHFSA-N 1 1 497.688 2.793 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291293618 1063685436 /nfs/dbraw/zinc/68/54/36/1063685436.db2.gz XHTVFSGLUVTWJU-HBMCJLEFSA-N 1 1 460.667 2.957 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294648 1063690698 /nfs/dbraw/zinc/69/06/98/1063690698.db2.gz NIYKWZREARBJFE-BBRMVZONSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(N3CCN(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295051 1063692662 /nfs/dbraw/zinc/69/26/62/1063692662.db2.gz UARQJFSQLANGKE-NRFANRHFSA-N 1 1 475.682 2.804 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295081 1063693484 /nfs/dbraw/zinc/69/34/84/1063693484.db2.gz ULPXQASAWPHIHL-GJZGRUSLSA-N 1 1 485.486 2.515 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295653406 1063697394 /nfs/dbraw/zinc/69/73/94/1063697394.db2.gz MQIGMJHNVHSJBQ-UHFFFAOYSA-N 1 1 458.998 2.864 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295653406 1063697402 /nfs/dbraw/zinc/69/74/02/1063697402.db2.gz MQIGMJHNVHSJBQ-UHFFFAOYSA-N 1 1 458.998 2.864 20 0 JFADMO C[C@H]1COCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291297795 1063701005 /nfs/dbraw/zinc/70/10/05/1063701005.db2.gz CWVPYVFNXRSRHU-RBBKRZOGSA-N 1 1 456.635 2.731 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291301746 1063710203 /nfs/dbraw/zinc/71/02/03/1063710203.db2.gz JUXKLHIENZZAPC-LPHOPBHVSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291301856 1063710321 /nfs/dbraw/zinc/71/03/21/1063710321.db2.gz LXHVMMCDHZUNPD-WMZOPIPTSA-N 1 1 481.439 2.508 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001291307230 1063722468 /nfs/dbraw/zinc/72/24/68/1063722468.db2.gz PCHWVEIAJGMPDJ-JKSUJKDBSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CCOC1 ZINC001291307230 1063722480 /nfs/dbraw/zinc/72/24/80/1063722480.db2.gz PCHWVEIAJGMPDJ-JKSUJKDBSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSCC1 ZINC001291307272 1063722502 /nfs/dbraw/zinc/72/25/02/1063722502.db2.gz PVDGVEXJCXSJQA-OAHLLOKOSA-N 1 1 452.422 2.982 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCSCC1 ZINC001291307272 1063722512 /nfs/dbraw/zinc/72/25/12/1063722512.db2.gz PVDGVEXJCXSJQA-OAHLLOKOSA-N 1 1 452.422 2.982 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291307506 1063723819 /nfs/dbraw/zinc/72/38/19/1063723819.db2.gz VKCBKBBWVHQHHL-HXUWFJFHSA-N 1 1 454.619 2.749 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291307506 1063723834 /nfs/dbraw/zinc/72/38/34/1063723834.db2.gz VKCBKBBWVHQHHL-HXUWFJFHSA-N 1 1 454.619 2.749 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 ZINC001291307603 1063724880 /nfs/dbraw/zinc/72/48/80/1063724880.db2.gz XHFWVANRPXEJII-HOCLYGCPSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 ZINC001291307603 1063724896 /nfs/dbraw/zinc/72/48/96/1063724896.db2.gz XHFWVANRPXEJII-HOCLYGCPSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307728 1063725537 /nfs/dbraw/zinc/72/55/37/1063725537.db2.gz AGAHRLGDXVGBJD-OALUTQOASA-N 1 1 471.606 2.506 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307728 1063725557 /nfs/dbraw/zinc/72/55/57/1063725557.db2.gz AGAHRLGDXVGBJD-OALUTQOASA-N 1 1 471.606 2.506 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307729 1063725595 /nfs/dbraw/zinc/72/55/95/1063725595.db2.gz AGAHRLGDXVGBJD-RBUKOAKNSA-N 1 1 471.606 2.506 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307729 1063725613 /nfs/dbraw/zinc/72/56/13/1063725613.db2.gz AGAHRLGDXVGBJD-RBUKOAKNSA-N 1 1 471.606 2.506 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291308056 1063727229 /nfs/dbraw/zinc/72/72/29/1063727229.db2.gz GMMBPGSDVFQTQK-SFHVURJKSA-N 1 1 481.601 2.672 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291308056 1063727244 /nfs/dbraw/zinc/72/72/44/1063727244.db2.gz GMMBPGSDVFQTQK-SFHVURJKSA-N 1 1 481.601 2.672 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295722315 1063737764 /nfs/dbraw/zinc/73/77/64/1063737764.db2.gz KGFXMEJDNNMCHV-GHTZIAJQSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310768 1063740411 /nfs/dbraw/zinc/74/04/11/1063740411.db2.gz HOZFQYRTSLFJIE-FUHWJXTLSA-N 1 1 478.066 2.878 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001295724956 1063740920 /nfs/dbraw/zinc/74/09/20/1063740920.db2.gz JFACHMWKGFOVCS-JOCHJYFZSA-N 1 1 455.651 2.927 20 0 JFADMO C[C@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310770 1063741049 /nfs/dbraw/zinc/74/10/49/1063741049.db2.gz HOZFQYRTSLFJIE-WMZOPIPTSA-N 1 1 478.066 2.878 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295770997 1063779293 /nfs/dbraw/zinc/77/92/93/1063779293.db2.gz BEUKQPMCLDKREI-VWPQPMDRSA-N 1 1 454.619 2.798 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(CC3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768995 1063779495 /nfs/dbraw/zinc/77/94/95/1063779495.db2.gz ZVZYRMLZZYSSKC-FQEVSTJZSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768995 1063779509 /nfs/dbraw/zinc/77/95/09/1063779509.db2.gz ZVZYRMLZZYSSKC-FQEVSTJZSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768995 1063779524 /nfs/dbraw/zinc/77/95/24/1063779524.db2.gz ZVZYRMLZZYSSKC-FQEVSTJZSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295771360 1063780124 /nfs/dbraw/zinc/78/01/24/1063780124.db2.gz DFXAVCMOKBVADL-VXKWHMMOSA-N 1 1 454.619 2.655 20 0 JFADMO C[C@@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC001291333675 1063790030 /nfs/dbraw/zinc/79/00/30/1063790030.db2.gz NSCWQFGUBHKDFN-IRXDYDNUSA-N 1 1 478.688 2.711 20 0 JFADMO C[C@@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)[C@H]1C ZINC001291333675 1063790036 /nfs/dbraw/zinc/79/00/36/1063790036.db2.gz NSCWQFGUBHKDFN-IRXDYDNUSA-N 1 1 478.688 2.711 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001291334862 1063793640 /nfs/dbraw/zinc/79/36/40/1063793640.db2.gz GEPRUQCRNWDXHD-OALUTQOASA-N 1 1 496.641 2.785 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001291334863 1063793672 /nfs/dbraw/zinc/79/36/72/1063793672.db2.gz GEPRUQCRNWDXHD-RBUKOAKNSA-N 1 1 496.641 2.785 20 0 JFADMO CCN(CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)S(C)(=O)=O ZINC001295810020 1063804628 /nfs/dbraw/zinc/80/46/28/1063804628.db2.gz IYDUHZGMULZHGY-ROUUACIJSA-N 1 1 481.066 2.943 20 0 JFADMO CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295810240 1063804971 /nfs/dbraw/zinc/80/49/71/1063804971.db2.gz FMMRITACKDECBO-LJQANCHMSA-N 1 1 470.684 2.502 20 0 JFADMO CCN(CCCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1)S(C)(=O)=O ZINC001295814891 1063816389 /nfs/dbraw/zinc/81/63/89/1063816389.db2.gz QKWDFDXEDGUSDC-UHFFFAOYSA-N 1 1 468.712 2.993 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1)CCC(F)(F)F ZINC001295815974 1063820859 /nfs/dbraw/zinc/82/08/59/1063820859.db2.gz QDQGXJBWSQNLGS-UHFFFAOYSA-N 1 1 496.582 2.902 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)C(C)C ZINC001295822000 1063827807 /nfs/dbraw/zinc/82/78/07/1063827807.db2.gz VSTXTIISXVVFKH-UHFFFAOYSA-N 1 1 484.649 2.739 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1)C(C)C ZINC001295821720 1063827933 /nfs/dbraw/zinc/82/79/33/1063827933.db2.gz TYXLBPPHXWQGEY-UHFFFAOYSA-N 1 1 492.628 2.991 20 0 JFADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](OC)C1)C(C)C ZINC001295822549 1063829115 /nfs/dbraw/zinc/82/91/15/1063829115.db2.gz AEYGPJOFBGCORF-IBGZPJMESA-N 1 1 477.679 2.892 20 0 JFADMO CC[N@@H+](CCn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)CCC(F)(F)F ZINC001295822561 1063829217 /nfs/dbraw/zinc/82/92/17/1063829217.db2.gz AYEFQIKDKUOYFD-UHFFFAOYSA-N 1 1 452.481 2.593 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295822903 1063829826 /nfs/dbraw/zinc/82/98/26/1063829826.db2.gz HKDFGBUHOCOLJM-UHFFFAOYSA-N 1 1 480.455 2.835 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(=O)NC)CC1)C1CC1 ZINC001295824525 1063832153 /nfs/dbraw/zinc/83/21/53/1063832153.db2.gz FRRKRGZXEWBVDD-UHFFFAOYSA-N 1 1 478.439 2.873 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001295824512 1063832270 /nfs/dbraw/zinc/83/22/70/1063832270.db2.gz FGNJJBUEUYCYFX-GOSISDBHSA-N 1 1 488.633 2.758 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC001295825390 1063834868 /nfs/dbraw/zinc/83/48/68/1063834868.db2.gz XBMMUJKQPWQUMM-QFIPXVFZSA-N 1 1 491.434 2.902 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001295826884 1063835279 /nfs/dbraw/zinc/83/52/79/1063835279.db2.gz FBGUUHXACWJGMQ-UHFFFAOYSA-N 1 1 474.675 2.800 20 0 JFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@@H]1C ZINC001295827695 1063838164 /nfs/dbraw/zinc/83/81/64/1063838164.db2.gz DVUKSBVITBRUGW-ROUUACIJSA-N 1 1 457.596 2.922 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1)C(C)C ZINC001295828667 1063839174 /nfs/dbraw/zinc/83/91/74/1063839174.db2.gz ARNFBPVHQRTTKR-UHFFFAOYSA-N 1 1 470.618 2.799 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291345637 1063839838 /nfs/dbraw/zinc/83/98/38/1063839838.db2.gz AYWWCVQGXUJMLX-NRFANRHFSA-N 1 1 452.603 2.657 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829418 1063841621 /nfs/dbraw/zinc/84/16/21/1063841621.db2.gz IKIMHEAXVVMQDG-QGZVFWFLSA-N 1 1 488.942 2.824 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)C(C)C ZINC001295830075 1063843443 /nfs/dbraw/zinc/84/34/43/1063843443.db2.gz LGXIUXAMKTUDMA-NRFANRHFSA-N 1 1 467.622 2.902 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(OCC(N)=O)CC1)C(C)C ZINC001295830003 1063843497 /nfs/dbraw/zinc/84/34/97/1063843497.db2.gz NZHNIBVFOQAGMG-UHFFFAOYSA-N 1 1 466.989 2.939 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1)C(C)C ZINC001295831176 1063845819 /nfs/dbraw/zinc/84/58/19/1063845819.db2.gz VBJXTTJZVVWCPX-WIYYLYMNSA-N 1 1 453.595 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)C(C)C ZINC001295831197 1063846562 /nfs/dbraw/zinc/84/65/62/1063846562.db2.gz VPZTTWOZCWWOGJ-XMMPIXPASA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295834111 1063849817 /nfs/dbraw/zinc/84/98/17/1063849817.db2.gz QHVWBKLEBYSTAT-IBGZPJMESA-N 1 1 477.631 2.808 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1)CCC(F)(F)F ZINC001295834476 1063850496 /nfs/dbraw/zinc/85/04/96/1063850496.db2.gz VLPBIFCZGHUGRN-UHFFFAOYSA-N 1 1 498.506 2.837 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001291348268 1063853054 /nfs/dbraw/zinc/85/30/54/1063853054.db2.gz GTJDGFPVYGHTMQ-FPQOSCNCSA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)C(C)C ZINC001295836600 1063853369 /nfs/dbraw/zinc/85/33/69/1063853369.db2.gz BPHQRJGTDDKPHA-UHFFFAOYSA-N 1 1 469.619 2.777 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291348837 1063854918 /nfs/dbraw/zinc/85/49/18/1063854918.db2.gz YHIJHAGZLFAVHN-HIUFNZKISA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295837648 1063855453 /nfs/dbraw/zinc/85/54/53/1063855453.db2.gz ASUHADDNWJMYBL-SJORKVTESA-N 1 1 467.496 2.549 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)C(C)C ZINC001295837654 1063855625 /nfs/dbraw/zinc/85/56/25/1063855625.db2.gz AWYOONSVZPQCGZ-DHIUTWEWSA-N 1 1 496.704 2.697 20 0 JFADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001291349754 1063856334 /nfs/dbraw/zinc/85/63/34/1063856334.db2.gz XCQYMPVUSLQNQD-LNLFQRSKSA-N 1 1 452.669 2.778 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295838879 1063857819 /nfs/dbraw/zinc/85/78/19/1063857819.db2.gz MEBDUGUWNLIHPN-UHFFFAOYSA-N 1 1 489.621 2.654 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001295839145 1063857956 /nfs/dbraw/zinc/85/79/56/1063857956.db2.gz SAWNRNBJXXNEEV-UHFFFAOYSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001295839698 1063858627 /nfs/dbraw/zinc/85/86/27/1063858627.db2.gz XGLVOCSFEDXTQO-HXUWFJFHSA-N 1 1 473.622 2.800 20 0 JFADMO C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001295839790 1063859023 /nfs/dbraw/zinc/85/90/23/1063859023.db2.gz RQIDYOLSCNHGKT-GOSISDBHSA-N 1 1 451.567 2.829 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295841481 1063860440 /nfs/dbraw/zinc/86/04/40/1063860440.db2.gz HENQTVSSKJBVKM-UHFFFAOYSA-N 1 1 468.581 2.510 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001295844514 1063864095 /nfs/dbraw/zinc/86/40/95/1063864095.db2.gz CFPHPJFAQSVQJJ-RTBURBONSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2)CCC(F)(F)F ZINC001295844904 1063865026 /nfs/dbraw/zinc/86/50/26/1063865026.db2.gz GRSVUJZSIYWUBR-KRWDZBQOSA-N 1 1 488.555 2.625 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295845145 1063865508 /nfs/dbraw/zinc/86/55/08/1063865508.db2.gz JKPSBEUMKHELAR-SFHVURJKSA-N 1 1 458.573 2.978 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845171 1063866165 /nfs/dbraw/zinc/86/61/65/1063866165.db2.gz JWLAYOZBRBYOJG-OAQYLSRUSA-N 1 1 474.053 2.935 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001291359551 1063868275 /nfs/dbraw/zinc/86/82/75/1063868275.db2.gz JECBYJFUAKUCNY-CJFMBICVSA-N 1 1 463.586 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001295846520 1063868863 /nfs/dbraw/zinc/86/88/63/1063868863.db2.gz VYYKZXHXLSZPGB-XXBNENTESA-N 1 1 494.562 2.910 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CC1 ZINC001295848273 1063871388 /nfs/dbraw/zinc/87/13/88/1063871388.db2.gz KRIJWWMAVGMPIH-QGZVFWFLSA-N 1 1 472.556 2.551 20 0 JFADMO CCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295850153 1063873650 /nfs/dbraw/zinc/87/36/50/1063873650.db2.gz VAJQFYOFSLDXHU-NBGIEHNGSA-N 1 1 492.665 2.730 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001291361124 1063873644 /nfs/dbraw/zinc/87/36/44/1063873644.db2.gz HFYQDTZIKKMLIS-UVFQYZLESA-N 1 1 451.413 2.880 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291361282 1063874032 /nfs/dbraw/zinc/87/40/32/1063874032.db2.gz JHPZDGOKGZXZPN-ICPLQIHGSA-N 1 1 465.545 2.864 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291361164 1063874150 /nfs/dbraw/zinc/87/41/50/1063874150.db2.gz HTWISLOVYKZARD-UZLBHIALSA-N 1 1 451.413 2.882 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291361283 1063874209 /nfs/dbraw/zinc/87/42/09/1063874209.db2.gz JHPZDGOKGZXZPN-NVVBAYIOSA-N 1 1 465.545 2.864 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)CCC(F)(F)F ZINC001295851007 1063874780 /nfs/dbraw/zinc/87/47/80/1063874780.db2.gz BHXDLOKTOGZFSU-ROUUACIJSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001295851151 1063875791 /nfs/dbraw/zinc/87/57/91/1063875791.db2.gz BYRMZHQBBKHBHL-INIZCTEOSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1)CCC(F)(F)F ZINC001295853156 1063879500 /nfs/dbraw/zinc/87/95/00/1063879500.db2.gz OLFFCFGAKYGZFX-GOSISDBHSA-N 1 1 490.571 2.971 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1)CCC(F)(F)F ZINC001295853416 1063880170 /nfs/dbraw/zinc/88/01/70/1063880170.db2.gz PWXVPFCUOJFYER-SJORKVTESA-N 1 1 487.527 2.716 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001295853785 1063881361 /nfs/dbraw/zinc/88/13/61/1063881361.db2.gz RYVCALQKSCTQFH-SFHVURJKSA-N 1 1 467.611 2.695 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1)C(C)C ZINC001295854093 1063881976 /nfs/dbraw/zinc/88/19/76/1063881976.db2.gz UYIPLLIKZIYPQT-INIZCTEOSA-N 1 1 474.469 2.790 20 0 JFADMO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888219 /nfs/dbraw/zinc/88/82/19/1063888219.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 1 1 475.726 2.582 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888227 /nfs/dbraw/zinc/88/82/27/1063888227.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 1 1 475.726 2.582 20 0 JFADMO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888427 /nfs/dbraw/zinc/88/84/27/1063888427.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 1 1 475.726 2.582 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888440 /nfs/dbraw/zinc/88/84/40/1063888440.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 1 1 475.726 2.582 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001295859367 1063890348 /nfs/dbraw/zinc/89/03/48/1063890348.db2.gz OKDSVPOADHMDFP-UHFFFAOYSA-N 1 1 463.648 2.621 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)CCC(F)(F)F ZINC001295859887 1063891520 /nfs/dbraw/zinc/89/15/20/1063891520.db2.gz ZRVGMMUSWQDPPK-NRFANRHFSA-N 1 1 481.523 2.569 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001295860591 1063892044 /nfs/dbraw/zinc/89/20/44/1063892044.db2.gz FZTAOTKQQVPPNY-FQEVSTJZSA-N 1 1 485.580 2.625 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)C(C)C ZINC001295865513 1063897761 /nfs/dbraw/zinc/89/77/61/1063897761.db2.gz LYFQNGHCXLRTDX-NQIIRXRSSA-N 1 1 458.582 2.689 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)C(C)C ZINC001295865541 1063897784 /nfs/dbraw/zinc/89/77/84/1063897784.db2.gz MIEWXNQWKFSDHA-RTWAWAEBSA-N 1 1 454.619 2.919 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291371880 1063898484 /nfs/dbraw/zinc/89/84/84/1063898484.db2.gz SLBBKRNKTGZAPJ-WWOUZDQESA-N 1 1 459.639 2.934 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)C(C)C ZINC001295865934 1063899082 /nfs/dbraw/zinc/89/90/82/1063899082.db2.gz HBGOKKKZTPAFQQ-UHFFFAOYSA-N 1 1 499.635 2.622 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001291372302 1063900188 /nfs/dbraw/zinc/90/01/88/1063900188.db2.gz YUCLULBHFHJQTM-WIOPSUGQSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccccc2F)nnc1N1CCC2(COC(=O)N2)CC1)C(C)C ZINC001295866470 1063900835 /nfs/dbraw/zinc/90/08/35/1063900835.db2.gz XSHBLOAXVHCHTI-UHFFFAOYSA-N 1 1 460.554 2.805 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1)C(C)C ZINC001295866827 1063901604 /nfs/dbraw/zinc/90/16/04/1063901604.db2.gz MTBHVOKJXNMVTK-UHFFFAOYSA-N 1 1 496.660 2.689 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1C[C@H](O)CC2(CCCC2)C1)CCC(F)(F)F ZINC001295867613 1063902611 /nfs/dbraw/zinc/90/26/11/1063902611.db2.gz WOPDNZXDYJTYPW-GOSISDBHSA-N 1 1 486.583 2.806 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291375164 1063904484 /nfs/dbraw/zinc/90/44/84/1063904484.db2.gz WDQFYKWDPGFSKS-SANMLTNESA-N 1 1 481.645 2.711 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291375127 1063904547 /nfs/dbraw/zinc/90/45/47/1063904547.db2.gz VJRFOWWZYWAJHX-RUZDIDTESA-N 1 1 469.609 2.842 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001295869052 1063906540 /nfs/dbraw/zinc/90/65/40/1063906540.db2.gz HFAXEIHYYRSEKW-ZCNNSNEGSA-N 1 1 489.665 2.590 20 0 JFADMO CCN(CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295869511 1063906967 /nfs/dbraw/zinc/90/69/67/1063906967.db2.gz PIZAMKQLUPUROJ-WOJBJXKFSA-N 1 1 478.638 2.545 20 0 JFADMO CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291378042 1063910569 /nfs/dbraw/zinc/91/05/69/1063910569.db2.gz ZSTNPHVJSXOYLO-UZUQRXQVSA-N 1 1 460.648 2.741 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001295875566 1063914002 /nfs/dbraw/zinc/91/40/02/1063914002.db2.gz YNWUGYRBTLKZDC-JTJYXVOQSA-N 1 1 475.609 2.969 20 0 JFADMO CC[C@](C)(O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291380795 1063918429 /nfs/dbraw/zinc/91/84/29/1063918429.db2.gz XDEVKBJMNUANBM-GLDPYIMESA-N 1 1 475.659 2.897 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001295877949 1063919757 /nfs/dbraw/zinc/91/97/57/1063919757.db2.gz OYFBSRVBZOXSRQ-MRXNPFEDSA-N 1 1 482.050 2.962 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291388133 1063936386 /nfs/dbraw/zinc/93/63/86/1063936386.db2.gz UKAWIGXESGOKFL-GNVZTASGSA-N 1 1 463.026 2.948 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291388136 1063936551 /nfs/dbraw/zinc/93/65/51/1063936551.db2.gz UKAWIGXESGOKFL-PDPLOHQNSA-N 1 1 463.026 2.948 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001295888501 1063938267 /nfs/dbraw/zinc/93/82/67/1063938267.db2.gz PNSXBIAPZKYWSH-LJQANCHMSA-N 1 1 472.615 2.811 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291388984 1063938425 /nfs/dbraw/zinc/93/84/25/1063938425.db2.gz GEIBYMCFPDUFIR-OKPIPSCLSA-N 1 1 487.645 2.916 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@@H](C)C3)CCN2C1=O ZINC001295891705 1063943570 /nfs/dbraw/zinc/94/35/70/1063943570.db2.gz CMGOXVGRLBOZBA-WOJBJXKFSA-N 1 1 473.666 2.852 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001291393565 1063946328 /nfs/dbraw/zinc/94/63/28/1063946328.db2.gz MFITUMCDSZWAFC-KBMIEXCESA-N 1 1 465.602 2.863 20 0 JFADMO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896757 1063950192 /nfs/dbraw/zinc/95/01/92/1063950192.db2.gz KDQVSEHMATWWCN-NFBKMPQASA-N 1 1 494.644 2.731 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291396822 1063952643 /nfs/dbraw/zinc/95/26/43/1063952643.db2.gz CPXPZUHLOHTYHF-WATLYSKOSA-N 1 1 462.683 2.574 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291400504 1063960853 /nfs/dbraw/zinc/96/08/53/1063960853.db2.gz YHPZEECAHKCWAC-FQRUVTKNSA-N 1 1 483.661 2.861 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291400504 1063960859 /nfs/dbraw/zinc/96/08/59/1063960859.db2.gz YHPZEECAHKCWAC-FQRUVTKNSA-N 1 1 483.661 2.861 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291403894 1063970366 /nfs/dbraw/zinc/97/03/66/1063970366.db2.gz QRDCHTSPAUMKDL-JPYJTQIMSA-N 1 1 460.648 2.581 20 0 JFADMO CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001295929405 1063983918 /nfs/dbraw/zinc/98/39/18/1063983918.db2.gz XCLFOVAWNAXCPF-BGYRXZFFSA-N 1 1 467.618 2.688 20 0 JFADMO CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001295929405 1063983932 /nfs/dbraw/zinc/98/39/32/1063983932.db2.gz XCLFOVAWNAXCPF-BGYRXZFFSA-N 1 1 467.618 2.688 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001291411023 1063986798 /nfs/dbraw/zinc/98/67/98/1063986798.db2.gz FMHDMBZLLCPSJM-AJSBUHFISA-N 1 1 484.645 2.758 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC001291411754 1063987819 /nfs/dbraw/zinc/98/78/19/1063987819.db2.gz ONPMAPLPMVBXOX-WFXMLNOXSA-N 1 1 453.595 2.512 20 0 JFADMO CC[C@@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291413898 1063990331 /nfs/dbraw/zinc/99/03/31/1063990331.db2.gz QYBFNVLZSYHKJL-KNQAVFIVSA-N 1 1 452.607 2.847 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291414595 1063991380 /nfs/dbraw/zinc/99/13/80/1063991380.db2.gz ZTUCGUFRAPHLLS-TYJFDUFHSA-N 1 1 485.677 2.724 20 0 JFADMO CCn1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1=O ZINC001295950551 1064001803 /nfs/dbraw/zinc/00/18/03/1064001803.db2.gz JVVJSJDORJPHOJ-UHFFFAOYSA-N 1 1 497.669 2.810 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)CC2)CC1 ZINC001295951882 1064004101 /nfs/dbraw/zinc/00/41/01/1064004101.db2.gz PMYWLUAHYBWUGT-IBGZPJMESA-N 1 1 458.594 2.896 20 0 JFADMO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001295958266 1064007962 /nfs/dbraw/zinc/00/79/62/1064007962.db2.gz WGJUXHYONABNTK-LJQANCHMSA-N 1 1 471.654 2.557 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435126 1064015990 /nfs/dbraw/zinc/01/59/90/1064015990.db2.gz YJVAJTZZUYZEHG-UNMCSNQZSA-N 1 1 489.686 2.832 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975516 1064019852 /nfs/dbraw/zinc/01/98/52/1064019852.db2.gz CSVKUGJLCADHSX-MOPGFXCFSA-N 1 1 476.585 2.873 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451372 1064020618 /nfs/dbraw/zinc/02/06/18/1064020618.db2.gz CITZBHDMCPHEOF-UNMCSNQZSA-N 1 1 489.686 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451371 1064020663 /nfs/dbraw/zinc/02/06/63/1064020663.db2.gz CITZBHDMCPHEOF-RBBKRZOGSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295975868 1064020771 /nfs/dbraw/zinc/02/07/71/1064020771.db2.gz FSFZAPKZMXKWBY-XFAGBWLFSA-N 1 1 493.052 2.568 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976222 1064021654 /nfs/dbraw/zinc/02/16/54/1064021654.db2.gz GRPTZJQMUHAZQP-IAGOWNOFSA-N 1 1 495.550 2.745 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976265 1064022064 /nfs/dbraw/zinc/02/20/64/1064022064.db2.gz HFBQOMJOAKEVTP-DXIQSLLYSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976265 1064022070 /nfs/dbraw/zinc/02/20/70/1064022070.db2.gz HFBQOMJOAKEVTP-DXIQSLLYSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295976841 1064022952 /nfs/dbraw/zinc/02/29/52/1064022952.db2.gz LOXPUHPNZJBXME-ZIAGYGMSSA-N 1 1 472.487 2.847 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458468 1064024840 /nfs/dbraw/zinc/02/48/40/1064024840.db2.gz HXAFJFWUZCHVDL-CUDBPUKSSA-N 1 1 472.682 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978019 1064025447 /nfs/dbraw/zinc/02/54/47/1064025447.db2.gz JMCMGLMSAQACCB-DYXWJJEUSA-N 1 1 492.690 2.893 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC001295977949 1064025605 /nfs/dbraw/zinc/02/56/05/1064025605.db2.gz MCNSIEKQXGGFFZ-JKSUJKDBSA-N 1 1 477.009 2.808 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)C[C@H]1C ZINC001295979648 1064028215 /nfs/dbraw/zinc/02/82/15/1064028215.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)C[C@H]1C ZINC001295979648 1064028221 /nfs/dbraw/zinc/02/82/21/1064028221.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001295979760 1064028560 /nfs/dbraw/zinc/02/85/60/1064028560.db2.gz XDTRMMBNCNXKQS-NXMSCROESA-N 1 1 461.607 2.669 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295980170 1064029629 /nfs/dbraw/zinc/02/96/29/1064029629.db2.gz QUCIOBDPSOFPLP-VQTJNVASSA-N 1 1 454.619 2.993 20 0 JFADMO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295980402 1064030106 /nfs/dbraw/zinc/03/01/06/1064030106.db2.gz YTDWOUFQPHQFOR-RBUKOAKNSA-N 1 1 478.663 2.544 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@H]1C ZINC001295980430 1064030490 /nfs/dbraw/zinc/03/04/90/1064030490.db2.gz ZAWZZFUQHBEIFT-MOPGFXCFSA-N 1 1 468.627 2.905 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980889 1064031647 /nfs/dbraw/zinc/03/16/47/1064031647.db2.gz PYSKXPWXWOBAQX-FHWLQOOXSA-N 1 1 492.690 2.794 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@@H]1C ZINC001295981350 1064032056 /nfs/dbraw/zinc/03/20/56/1064032056.db2.gz RJPVOENBXIXXLU-UFYCRDLUSA-N 1 1 462.664 2.830 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981780 1064032180 /nfs/dbraw/zinc/03/21/80/1064032180.db2.gz RQLHGYWKWYXQQJ-VJANTYMQSA-N 1 1 476.588 2.805 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981779 1064032201 /nfs/dbraw/zinc/03/22/01/1064032201.db2.gz RQLHGYWKWYXQQJ-CADBVGFASA-N 1 1 476.588 2.805 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCOC(F)(F)F ZINC001291470926 1064032408 /nfs/dbraw/zinc/03/24/08/1064032408.db2.gz XEHYRHKSUQGGKA-XYJFISCASA-N 1 1 460.545 2.707 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCOC(F)(F)F ZINC001291470924 1064032446 /nfs/dbraw/zinc/03/24/46/1064032446.db2.gz XEHYRHKSUQGGKA-JZXOWHBKSA-N 1 1 460.545 2.707 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981459 1064032782 /nfs/dbraw/zinc/03/27/82/1064032782.db2.gz ACTDTPWPTCHGHR-IAGOWNOFSA-N 1 1 455.994 2.968 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001295981782 1064033198 /nfs/dbraw/zinc/03/31/98/1064033198.db2.gz RQLHGYWKWYXQQJ-YDZRNGNQSA-N 1 1 476.588 2.805 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCOC[C@H]1CCCO1 ZINC001291471088 1064033328 /nfs/dbraw/zinc/03/33/28/1064033328.db2.gz YVTYJBLXKIVZCC-NEUULRRLSA-N 1 1 490.693 2.756 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001295982284 1064034747 /nfs/dbraw/zinc/03/47/47/1064034747.db2.gz DCELPSBGNOMLJV-QZTJIDSGSA-N 1 1 468.606 2.643 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC001295982541 1064035624 /nfs/dbraw/zinc/03/56/24/1064035624.db2.gz URHFAKFQXFHAJW-OKZBNKHCSA-N 1 1 487.630 2.511 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCOC2)C[C@H]1C ZINC001295983094 1064037656 /nfs/dbraw/zinc/03/76/56/1064037656.db2.gz HFZYMLCBRIFVBN-LRAJWGHMSA-N 1 1 482.398 2.917 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001295983532 1064039381 /nfs/dbraw/zinc/03/93/81/1064039381.db2.gz WTQIUMDBCUNFGW-ILXRZTDVSA-N 1 1 475.084 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@@H]1C ZINC001295983884 1064040333 /nfs/dbraw/zinc/04/03/33/1064040333.db2.gz XMZRDRGTOZXWFS-GBESFXJTSA-N 1 1 490.674 2.548 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001295984096 1064040755 /nfs/dbraw/zinc/04/07/55/1064040755.db2.gz KXJUAFBWTIELQW-ZCNNSNEGSA-N 1 1 472.634 2.602 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001295984052 1064040807 /nfs/dbraw/zinc/04/08/07/1064040807.db2.gz KIVRTGVDJFGENU-ZMSDIMECSA-N 1 1 491.434 2.914 20 0 JFADMO C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001295989706 1064044420 /nfs/dbraw/zinc/04/44/20/1064044420.db2.gz BDFFZVQSVOVVBV-GOSISDBHSA-N 1 1 454.546 2.919 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489901 1064044981 /nfs/dbraw/zinc/04/49/81/1064044981.db2.gz LOXUGDKKRIASJF-MBSDFSHPSA-N 1 1 450.628 2.960 20 0 JFADMO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295992042 1064046668 /nfs/dbraw/zinc/04/66/68/1064046668.db2.gz GEQZXNIUCPMJDO-ACRUOGEOSA-N 1 1 454.656 2.712 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC001295992682 1064047260 /nfs/dbraw/zinc/04/72/60/1064047260.db2.gz FCLZWIRBNWNIKD-ZWKOTPCHSA-N 1 1 466.565 2.532 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291494183 1064047470 /nfs/dbraw/zinc/04/74/70/1064047470.db2.gz WIHAKAMUTWLEON-VFNWGFHPSA-N 1 1 487.571 2.880 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001295992908 1064047869 /nfs/dbraw/zinc/04/78/69/1064047869.db2.gz BKEIWXIGQWKEQT-MHTWAQMVSA-N 1 1 492.665 2.727 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001295993650 1064049330 /nfs/dbraw/zinc/04/93/30/1064049330.db2.gz DQSJOUHGOJDUDW-RLBLXZPPSA-N 1 1 488.702 2.710 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@H]1C ZINC001295994228 1064050162 /nfs/dbraw/zinc/05/01/62/1064050162.db2.gz VBZIJTBJWBFACV-MOPGFXCFSA-N 1 1 466.586 2.687 20 0 JFADMO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295994669 1064050586 /nfs/dbraw/zinc/05/05/86/1064050586.db2.gz VURZKUFIVWVXCQ-WOJBJXKFSA-N 1 1 462.664 2.844 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998206 1064055118 /nfs/dbraw/zinc/05/51/18/1064055118.db2.gz TYVOJAYHSXMIKY-UXHICEINSA-N 1 1 465.602 2.865 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998338 1064055780 /nfs/dbraw/zinc/05/57/80/1064055780.db2.gz VIFUPQCFDDSIHY-SVFBPWRDSA-N 1 1 472.609 2.589 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296002735 1064057880 /nfs/dbraw/zinc/05/78/80/1064057880.db2.gz NSDYXNNRXZPDMM-SVFBPWRDSA-N 1 1 495.594 2.836 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058465 /nfs/dbraw/zinc/05/84/65/1064058465.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 1 1 470.662 2.907 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058921 /nfs/dbraw/zinc/05/89/21/1064058921.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 1 1 470.662 2.907 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004342 1064059773 /nfs/dbraw/zinc/05/97/73/1064059773.db2.gz YVIKHAXLVWCHPG-DLBZAZTESA-N 1 1 473.423 2.842 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291508431 1064059960 /nfs/dbraw/zinc/05/99/60/1064059960.db2.gz MCNBHQLMOUNRRH-RTWAWAEBSA-N 1 1 459.683 2.656 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC001296008388 1064062469 /nfs/dbraw/zinc/06/24/69/1064062469.db2.gz HJYKTHIEDGKPIM-RTBURBONSA-N 1 1 474.675 2.886 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008838 1064062880 /nfs/dbraw/zinc/06/28/80/1064062880.db2.gz BSYOJRUAPQOBTI-ZWKOTPCHSA-N 1 1 495.653 2.530 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296008853 1064062898 /nfs/dbraw/zinc/06/28/98/1064062898.db2.gz BUHCXTQUJKOPIL-IZZGNVEXSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009430 1064064792 /nfs/dbraw/zinc/06/47/92/1064064792.db2.gz GEUHWJUYQVNXDX-RBUKOAKNSA-N 1 1 470.618 2.579 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009477 1064064814 /nfs/dbraw/zinc/06/48/14/1064064814.db2.gz GSINKCPVGOMQQV-NHCUHLMSSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009429 1064064889 /nfs/dbraw/zinc/06/48/89/1064064889.db2.gz GEUHWJUYQVNXDX-OALUTQOASA-N 1 1 470.618 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009478 1064064943 /nfs/dbraw/zinc/06/49/43/1064064943.db2.gz GSINKCPVGOMQQV-RTWAWAEBSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001296009565 1064065480 /nfs/dbraw/zinc/06/54/80/1064065480.db2.gz LNYLBQVIKDUMRK-QTEQDKRBSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296010008 1064067409 /nfs/dbraw/zinc/06/74/09/1064067409.db2.gz JQVQLAADWZVIHE-UXHICEINSA-N 1 1 474.654 2.973 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291514644 1064068016 /nfs/dbraw/zinc/06/80/16/1064068016.db2.gz WSKHFEGCKFUUOJ-TZIWHRDSSA-N 1 1 483.665 2.605 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010355 1064068487 /nfs/dbraw/zinc/06/84/87/1064068487.db2.gz BIOUQXKKSRWIGD-RTBURBONSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010355 1064068494 /nfs/dbraw/zinc/06/84/94/1064068494.db2.gz BIOUQXKKSRWIGD-RTBURBONSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010353 1064068672 /nfs/dbraw/zinc/06/86/72/1064068672.db2.gz BIOUQXKKSRWIGD-RBUKOAKNSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010353 1064068682 /nfs/dbraw/zinc/06/86/82/1064068682.db2.gz BIOUQXKKSRWIGD-RBUKOAKNSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011245 1064070545 /nfs/dbraw/zinc/07/05/45/1064070545.db2.gz UNQAELYSLMEFDD-JENIJYKNSA-N 1 1 458.573 2.803 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013132 1064074027 /nfs/dbraw/zinc/07/40/27/1064074027.db2.gz MHILNJZRMGEOBP-AWRULXHCSA-N 1 1 475.609 2.968 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074460 /nfs/dbraw/zinc/07/44/60/1064074460.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074470 /nfs/dbraw/zinc/07/44/70/1064074470.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001296014521 1064075911 /nfs/dbraw/zinc/07/59/11/1064075911.db2.gz YCIVHOHWYKHTTD-QZTJIDSGSA-N 1 1 473.622 2.671 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014523 1064075947 /nfs/dbraw/zinc/07/59/47/1064075947.db2.gz YCIVHOHWYKHTTD-ROUUACIJSA-N 1 1 473.622 2.671 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@@H]1C ZINC001296014572 1064076386 /nfs/dbraw/zinc/07/63/86/1064076386.db2.gz YJZIIUGMRBWYJD-VQTJNVASSA-N 1 1 470.618 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001296015224 1064077096 /nfs/dbraw/zinc/07/70/96/1064077096.db2.gz ZWFOXICTJOVXIO-IRFCIJBXSA-N 1 1 454.619 2.999 20 0 JFADMO CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296015310 1064077581 /nfs/dbraw/zinc/07/75/81/1064077581.db2.gz RUMUVZAVVYUVCX-UWHLTILDSA-N 1 1 498.738 2.787 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001296015316 1064077608 /nfs/dbraw/zinc/07/76/08/1064077608.db2.gz RVEKQQCDVVHUMX-BSRJHKFKSA-N 1 1 461.632 2.653 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001296015318 1064077682 /nfs/dbraw/zinc/07/76/82/1064077682.db2.gz RVEKQQCDVVHUMX-IUKKYPGJSA-N 1 1 461.632 2.653 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)Oc2ccccc21 ZINC001296019418 1064081341 /nfs/dbraw/zinc/08/13/41/1064081341.db2.gz XSKWJHOOWQCSQL-KBMIEXCESA-N 1 1 456.635 2.657 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291542345 1064085408 /nfs/dbraw/zinc/08/54/08/1064085408.db2.gz PWOXPZMTSWRBPY-CNNODRBYSA-N 1 1 457.671 2.867 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031092 1064089007 /nfs/dbraw/zinc/08/90/07/1064089007.db2.gz PUEMMBIBGSCABA-IFMALSPDSA-N 1 1 453.635 2.863 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC001296033072 1064090987 /nfs/dbraw/zinc/09/09/87/1064090987.db2.gz JBIXBAYEVACRHY-WOJBJXKFSA-N 1 1 490.674 2.758 20 0 JFADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296033123 1064091393 /nfs/dbraw/zinc/09/13/93/1064091393.db2.gz JYNHMBVDIFVUHT-RBUKOAKNSA-N 1 1 458.582 2.958 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001296034952 1064093876 /nfs/dbraw/zinc/09/38/76/1064093876.db2.gz ZXBMRDOPCMPULT-HXUWFJFHSA-N 1 1 467.618 2.581 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001296035436 1064094601 /nfs/dbraw/zinc/09/46/01/1064094601.db2.gz CZOPBITZWSIDQT-MWTRTKDXSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296036155 1064094916 /nfs/dbraw/zinc/09/49/16/1064094916.db2.gz GIBMBHJCYGGZJS-KRWDZBQOSA-N 1 1 494.482 2.925 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)NCCOC)CC2)C1 ZINC001296036089 1064095359 /nfs/dbraw/zinc/09/53/59/1064095359.db2.gz HBEFJWKHTCMVLJ-HXUWFJFHSA-N 1 1 454.619 2.574 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001296036020 1064095388 /nfs/dbraw/zinc/09/53/88/1064095388.db2.gz GSMKBXQJZCTPKA-TZIWHRDSSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001291568067 1064095399 /nfs/dbraw/zinc/09/53/99/1064095399.db2.gz KDKCCYWYLQWQIB-NRFANRHFSA-N 1 1 487.693 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001291568067 1064095403 /nfs/dbraw/zinc/09/54/03/1064095403.db2.gz KDKCCYWYLQWQIB-NRFANRHFSA-N 1 1 487.693 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCNC(=O)c1occc1C ZINC001291569899 1064096538 /nfs/dbraw/zinc/09/65/38/1064096538.db2.gz LAGWWJNRWXRAAW-IBGZPJMESA-N 1 1 482.633 2.959 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001296037909 1064097971 /nfs/dbraw/zinc/09/79/71/1064097971.db2.gz MRLWKTABHTVELH-HXUWFJFHSA-N 1 1 454.619 2.990 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001296037964 1064098277 /nfs/dbraw/zinc/09/82/77/1064098277.db2.gz NJVAGXVIHYRKMY-AEFFLSMTSA-N 1 1 462.545 2.945 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001296038010 1064098690 /nfs/dbraw/zinc/09/86/90/1064098690.db2.gz NWCRVGNYQLDQGC-FGTMMUONSA-N 1 1 459.591 2.926 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 ZINC001296039722 1064099394 /nfs/dbraw/zinc/09/93/94/1064099394.db2.gz SRZDGSBJAVTEIN-ZWKOTPCHSA-N 1 1 472.590 2.581 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296041234 1064101329 /nfs/dbraw/zinc/10/13/29/1064101329.db2.gz YYXRAUSMACCUCN-LJQANCHMSA-N 1 1 470.618 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042401 1064101766 /nfs/dbraw/zinc/10/17/66/1064101766.db2.gz JQINHQPMMNTVBJ-QRWLVFNGSA-N 1 1 455.529 2.550 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578236 1064103191 /nfs/dbraw/zinc/10/31/91/1064103191.db2.gz CNOFNSPRICAOEQ-WIYYLYMNSA-N 1 1 472.609 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578569 1064103639 /nfs/dbraw/zinc/10/36/39/1064103639.db2.gz FFWHRDAYPLFQEY-HKUYNNGSSA-N 1 1 457.648 2.700 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001296043928 1064103765 /nfs/dbraw/zinc/10/37/65/1064103765.db2.gz BBIHAXWXJQXCHM-CGXNFDGLSA-N 1 1 476.666 2.942 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296044262 1064103823 /nfs/dbraw/zinc/10/38/23/1064103823.db2.gz BQILQLFQXCNKDP-QZTJIDSGSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296044501 1064104169 /nfs/dbraw/zinc/10/41/69/1064104169.db2.gz DMNKVYCEBLEQEK-LJQANCHMSA-N 1 1 463.623 2.753 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(COC)CC2)C1 ZINC001296044728 1064104583 /nfs/dbraw/zinc/10/45/83/1064104583.db2.gz FUNVBHUGESRMBX-SFTDATJTSA-N 1 1 492.665 2.791 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001296044724 1064104594 /nfs/dbraw/zinc/10/45/94/1064104594.db2.gz FTRROGADYKZKKL-UFYCRDLUSA-N 1 1 492.665 2.932 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296045029 1064105398 /nfs/dbraw/zinc/10/53/98/1064105398.db2.gz ILXZAQXOGCEPLC-ROUUACIJSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC001296047637 1064106960 /nfs/dbraw/zinc/10/69/60/1064106960.db2.gz UCLWBKJTKQSDMK-NRFANRHFSA-N 1 1 473.710 2.779 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296048310 1064107518 /nfs/dbraw/zinc/10/75/18/1064107518.db2.gz CBULFJRNNGPDLE-RBUKOAKNSA-N 1 1 472.659 2.951 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001296050464 1064110024 /nfs/dbraw/zinc/11/00/24/1064110024.db2.gz RLTSXFDIUKNUOF-RTWAWAEBSA-N 1 1 469.634 2.957 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001296050467 1064110370 /nfs/dbraw/zinc/11/03/70/1064110370.db2.gz RLTSXFDIUKNUOF-SFTDATJTSA-N 1 1 469.634 2.957 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001296050483 1064110430 /nfs/dbraw/zinc/11/04/30/1064110430.db2.gz RMEDYCZPODIJRO-NRFANRHFSA-N 1 1 453.635 2.689 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296050828 1064110854 /nfs/dbraw/zinc/11/08/54/1064110854.db2.gz APYMGGPFUZJXHI-HXUWFJFHSA-N 1 1 474.625 2.885 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](COC)C2)C1 ZINC001296051526 1064111785 /nfs/dbraw/zinc/11/17/85/1064111785.db2.gz GMZLKVDKDAZUQK-YLJYHZDGSA-N 1 1 494.434 2.813 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001296051695 1064112118 /nfs/dbraw/zinc/11/21/18/1064112118.db2.gz JDBPZLVYTGHAAY-IRXDYDNUSA-N 1 1 499.607 2.684 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291582042 1064112869 /nfs/dbraw/zinc/11/28/69/1064112869.db2.gz SHESQSPHUDEUGI-RBBKRZOGSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296052637 1064113974 /nfs/dbraw/zinc/11/39/74/1064113974.db2.gz TZBPNNNCTCIHGA-MSOLQXFVSA-N 1 1 479.672 2.544 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N(C)CCCS(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)C1 ZINC001296053227 1064114494 /nfs/dbraw/zinc/11/44/94/1064114494.db2.gz YMLWUCMCELPSPO-FQEVSTJZSA-N 1 1 459.660 2.961 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296052718 1064114499 /nfs/dbraw/zinc/11/44/99/1064114499.db2.gz UHSYHBNPCIVWJY-OAQYLSRUSA-N 1 1 454.619 2.874 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001296054415 1064115477 /nfs/dbraw/zinc/11/54/77/1064115477.db2.gz AVIVJUXCKKSDIU-FCEUIQTBSA-N 1 1 470.618 2.872 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291583725 1064117174 /nfs/dbraw/zinc/11/71/74/1064117174.db2.gz WQOKAZJCIAPHLJ-NRFANRHFSA-N 1 1 468.646 2.794 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296055939 1064117227 /nfs/dbraw/zinc/11/72/27/1064117227.db2.gz IMLWYEGIJWDQNY-JLHGSKIFSA-N 1 1 492.571 2.697 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296056342 1064117526 /nfs/dbraw/zinc/11/75/26/1064117526.db2.gz KXSDQPBIWCDWEL-GPWHBBDMSA-N 1 1 481.626 2.784 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296057100 1064118508 /nfs/dbraw/zinc/11/85/08/1064118508.db2.gz RBKLNVYZUHUOMQ-MOPGFXCFSA-N 1 1 491.637 2.580 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057144 1064118517 /nfs/dbraw/zinc/11/85/17/1064118517.db2.gz RWVRQRZKSVAPEZ-MOPGFXCFSA-N 1 1 477.654 2.642 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296057115 1064118553 /nfs/dbraw/zinc/11/85/53/1064118553.db2.gz RIXVSOBVJMQCDM-WOZUAGRISA-N 1 1 492.665 2.790 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001296057234 1064119067 /nfs/dbraw/zinc/11/90/67/1064119067.db2.gz UIOQVJCXTHXMEI-FHWLQOOXSA-N 1 1 476.622 2.691 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001296057205 1064119077 /nfs/dbraw/zinc/11/90/77/1064119077.db2.gz UAJQODGGXZBFTD-OAQYLSRUSA-N 1 1 482.633 2.691 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(N(C)CCS(=O)(=O)CC)nnc2C2(c3ccccc3)CCC2)C1 ZINC001296057265 1064119091 /nfs/dbraw/zinc/11/90/91/1064119091.db2.gz URAXCDOQGXKLTJ-HXUWFJFHSA-N 1 1 459.660 2.961 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001296057235 1064119121 /nfs/dbraw/zinc/11/91/21/1064119121.db2.gz UIOQVJCXTHXMEI-OTWHNJEPSA-N 1 1 476.622 2.691 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 ZINC001296057411 1064119580 /nfs/dbraw/zinc/11/95/80/1064119580.db2.gz XXBYAHMKDXSEDF-HXUWFJFHSA-N 1 1 472.609 2.614 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 ZINC001296058527 1064120454 /nfs/dbraw/zinc/12/04/54/1064120454.db2.gz BUIUZNMGGWBTEF-NVXWUHKLSA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001296058727 1064120728 /nfs/dbraw/zinc/12/07/28/1064120728.db2.gz CUXKQMSTKARXME-GDBMZVCRSA-N 1 1 487.468 2.779 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296058759 1064120956 /nfs/dbraw/zinc/12/09/56/1064120956.db2.gz DJOUZTQMJVYDAQ-GUDVDZBRSA-N 1 1 466.627 2.590 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001296059245 1064121848 /nfs/dbraw/zinc/12/18/48/1064121848.db2.gz HAVATFAZZIDLDM-GOSISDBHSA-N 1 1 488.633 2.806 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001296059308 1064122220 /nfs/dbraw/zinc/12/22/20/1064122220.db2.gz CCSNETCKMRPYAS-UXHICEINSA-N 1 1 461.632 2.838 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001296059686 1064123094 /nfs/dbraw/zinc/12/30/94/1064123094.db2.gz INIGGLABZXVYIK-PKOBYXMFSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1nccs1 ZINC001296059799 1064123498 /nfs/dbraw/zinc/12/34/98/1064123498.db2.gz JRTVGEFLSCRGEU-SFHVURJKSA-N 1 1 474.656 2.968 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F ZINC001296060039 1064123981 /nfs/dbraw/zinc/12/39/81/1064123981.db2.gz KQKHNHHAYCDIIO-BRWVUGGUSA-N 1 1 452.600 2.709 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291590723 1064124682 /nfs/dbraw/zinc/12/46/82/1064124682.db2.gz SIYGKEKKQGAXKG-YADHBBJMSA-N 1 1 475.682 2.876 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296060462 1064125691 /nfs/dbraw/zinc/12/56/91/1064125691.db2.gz BMBQRMFSPIJVQZ-SFHVURJKSA-N 1 1 481.066 2.848 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296061764 1064127131 /nfs/dbraw/zinc/12/71/31/1064127131.db2.gz QNMVUYQPTRWYJZ-DXBBTUNJSA-N 1 1 485.629 2.879 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291592312 1064127389 /nfs/dbraw/zinc/12/73/89/1064127389.db2.gz LMSWDYIPZHQJOT-RTWAWAEBSA-N 1 1 491.681 2.649 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001296061828 1064127590 /nfs/dbraw/zinc/12/75/90/1064127590.db2.gz YDNQUPBPULFJAM-NRFANRHFSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC1CC1)C1CCCCC1 ZINC001296061836 1064127638 /nfs/dbraw/zinc/12/76/38/1064127638.db2.gz RDCVVHAQUGVTTJ-YLJYHZDGSA-N 1 1 452.669 2.922 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001296063093 1064129261 /nfs/dbraw/zinc/12/92/61/1064129261.db2.gz UMJSACGBZAWXHH-SFHVURJKSA-N 1 1 476.423 2.653 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001296063147 1064129274 /nfs/dbraw/zinc/12/92/74/1064129274.db2.gz VJTJBZWQXGGAIQ-OAHLLOKOSA-N 1 1 470.412 2.900 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291594441 1064130340 /nfs/dbraw/zinc/13/03/40/1064130340.db2.gz HWYACNKZCVIZDZ-FGZHOGPDSA-N 1 1 497.688 2.848 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296063874 1064130459 /nfs/dbraw/zinc/13/04/59/1064130459.db2.gz YBXQMFZEGYDGAO-MSOLQXFVSA-N 1 1 462.561 2.561 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296063745 1064130492 /nfs/dbraw/zinc/13/04/92/1064130492.db2.gz YIDYBDXLOGTMTE-PKOBYXMFSA-N 1 1 471.631 2.613 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001296066617 1064131970 /nfs/dbraw/zinc/13/19/70/1064131970.db2.gz DKLKCVAYUVXBOX-DFQSSKMNSA-N 1 1 489.665 2.843 20 0 JFADMO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067227 1064132515 /nfs/dbraw/zinc/13/25/15/1064132515.db2.gz IIVOIJNOKTXMIU-PMACEKPBSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067227 1064132518 /nfs/dbraw/zinc/13/25/18/1064132518.db2.gz IIVOIJNOKTXMIU-PMACEKPBSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001296066619 1064132580 /nfs/dbraw/zinc/13/25/80/1064132580.db2.gz DKLKCVAYUVXBOX-MISYRCLQSA-N 1 1 489.665 2.843 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCCCO ZINC001296067963 1064133409 /nfs/dbraw/zinc/13/34/09/1064133409.db2.gz LYXIIRMWSTYVDK-UXHICEINSA-N 1 1 480.654 2.670 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCS(=O)(=O)CC ZINC001296067958 1064133455 /nfs/dbraw/zinc/13/34/55/1064133455.db2.gz LYTCCPKZFXBOHE-LJQANCHMSA-N 1 1 472.615 2.955 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001296072087 1064135988 /nfs/dbraw/zinc/13/59/88/1064135988.db2.gz LLFFCXTUDHSCHK-FQEVSTJZSA-N 1 1 459.664 2.813 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291601437 1064136928 /nfs/dbraw/zinc/13/69/28/1064136928.db2.gz FJOYIRBENCRPRG-UNMCSNQZSA-N 1 1 456.635 2.974 20 0 JFADMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1OCc1ccc(Br)s1 ZINC001296072763 1064137126 /nfs/dbraw/zinc/13/71/26/1064137126.db2.gz LBYFMFSNFOYKGS-LJQANCHMSA-N 1 1 455.374 2.895 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296072625 1064137163 /nfs/dbraw/zinc/13/71/63/1064137163.db2.gz DNBCTLMFJZSSAY-GMAHTHKFSA-N 1 1 489.686 2.960 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001296072850 1064137593 /nfs/dbraw/zinc/13/75/93/1064137593.db2.gz FXVWTPLMFLIOJU-OALUTQOASA-N 1 1 468.572 2.697 20 0 JFADMO CC[N@@H+]1CCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001296073057 1064137897 /nfs/dbraw/zinc/13/78/97/1064137897.db2.gz ATPVGLDMQAQRDQ-GOSISDBHSA-N 1 1 451.662 2.844 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001296073057 1064137903 /nfs/dbraw/zinc/13/79/03/1064137903.db2.gz ATPVGLDMQAQRDQ-GOSISDBHSA-N 1 1 451.662 2.844 20 0 JFADMO CC[N@@H+]1CCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001296073058 1064137998 /nfs/dbraw/zinc/13/79/98/1064137998.db2.gz ATPVGLDMQAQRDQ-SFHVURJKSA-N 1 1 451.662 2.844 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001296073058 1064138003 /nfs/dbraw/zinc/13/80/03/1064138003.db2.gz ATPVGLDMQAQRDQ-SFHVURJKSA-N 1 1 451.662 2.844 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296073351 1064138576 /nfs/dbraw/zinc/13/85/76/1064138576.db2.gz IPJZREXYUDLTBW-OAQYLSRUSA-N 1 1 459.660 2.951 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296073637 1064138905 /nfs/dbraw/zinc/13/89/05/1064138905.db2.gz GDARXRMUXGDIPS-PXDATVDWSA-N 1 1 470.618 2.538 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296073933 1064140101 /nfs/dbraw/zinc/14/01/01/1064140101.db2.gz LKKDLZFMDHCMAJ-FGZHOGPDSA-N 1 1 454.619 2.661 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001296074180 1064140501 /nfs/dbraw/zinc/14/05/01/1064140501.db2.gz UXJYNNXHRMVJBU-SFHVURJKSA-N 1 1 460.573 2.936 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O ZINC001296074920 1064142107 /nfs/dbraw/zinc/14/21/07/1064142107.db2.gz MTZQIKYCHQIBSU-IPMKNSEASA-N 1 1 455.669 2.552 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001296075656 1064142699 /nfs/dbraw/zinc/14/26/99/1064142699.db2.gz PJKRQCAXSZUPSD-OALUTQOASA-N 1 1 477.654 2.795 20 0 JFADMO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001296075275 1064142724 /nfs/dbraw/zinc/14/27/24/1064142724.db2.gz ZEBKNULVQLGGBF-IBGZPJMESA-N 1 1 458.367 2.591 20 0 JFADMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001296075275 1064142725 /nfs/dbraw/zinc/14/27/25/1064142725.db2.gz ZEBKNULVQLGGBF-IBGZPJMESA-N 1 1 458.367 2.591 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296075685 1064143346 /nfs/dbraw/zinc/14/33/46/1064143346.db2.gz PZXZIORLLUACKW-JQVVWYNYSA-N 1 1 488.599 2.876 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](COC)C1 ZINC001296075883 1064143903 /nfs/dbraw/zinc/14/39/03/1064143903.db2.gz XZLZPOVVOCERSN-AZUAARDMSA-N 1 1 494.434 2.956 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](COC)C1 ZINC001296075884 1064143929 /nfs/dbraw/zinc/14/39/29/1064143929.db2.gz XZLZPOVVOCERSN-ICSRJNTNSA-N 1 1 494.434 2.956 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001296076058 1064144428 /nfs/dbraw/zinc/14/44/28/1064144428.db2.gz SIQSDSJZNQEFNR-NRFANRHFSA-N 1 1 457.598 2.756 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001296076460 1064144943 /nfs/dbraw/zinc/14/49/43/1064144943.db2.gz XAKGJCWRWVGYBA-UWHLTILDSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296076472 1064144970 /nfs/dbraw/zinc/14/49/70/1064144970.db2.gz XCESBIDIPNICQJ-LEWJYISDSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001296079070 1064145481 /nfs/dbraw/zinc/14/54/81/1064145481.db2.gz BTJFISWDQCNALX-DENIHFKCSA-N 1 1 459.639 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079640 1064147315 /nfs/dbraw/zinc/14/73/15/1064147315.db2.gz HJTOLBUZAVBLSB-IRLDBZIGSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001296081053 1064148273 /nfs/dbraw/zinc/14/82/73/1064148273.db2.gz PRBVOQWYGCADNA-DSKINZAPSA-N 1 1 460.648 2.886 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296081201 1064148737 /nfs/dbraw/zinc/14/87/37/1064148737.db2.gz QPGYUQQKEKSWGP-ICSRJNTNSA-N 1 1 489.020 2.735 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001296082631 1064150302 /nfs/dbraw/zinc/15/03/02/1064150302.db2.gz DPCZVGWJAHWTPQ-QUCCMNQESA-N 1 1 453.505 2.735 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296083023 1064150917 /nfs/dbraw/zinc/15/09/17/1064150917.db2.gz BPNCURXEECRZRW-LJQANCHMSA-N 1 1 478.638 2.819 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001296083388 1064150931 /nfs/dbraw/zinc/15/09/31/1064150931.db2.gz FBISHDGAJIRBIT-QGZVFWFLSA-N 1 1 480.539 2.504 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084837 1064152865 /nfs/dbraw/zinc/15/28/65/1064152865.db2.gz AFUQGLKRWFWCTG-WOJBJXKFSA-N 1 1 491.658 2.578 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084835 1064152922 /nfs/dbraw/zinc/15/29/22/1064152922.db2.gz AFUQGLKRWFWCTG-UXHICEINSA-N 1 1 491.658 2.578 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291616034 1064153177 /nfs/dbraw/zinc/15/31/77/1064153177.db2.gz WGZGZFKHACOWSJ-IBGZPJMESA-N 1 1 469.682 2.551 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291616034 1064153178 /nfs/dbraw/zinc/15/31/78/1064153178.db2.gz WGZGZFKHACOWSJ-IBGZPJMESA-N 1 1 469.682 2.551 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291616034 1064153181 /nfs/dbraw/zinc/15/31/81/1064153181.db2.gz WGZGZFKHACOWSJ-IBGZPJMESA-N 1 1 469.682 2.551 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC001296085262 1064153869 /nfs/dbraw/zinc/15/38/69/1064153869.db2.gz RQUAQXUBINYLSZ-VXKWHMMOSA-N 1 1 475.659 2.850 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001296086306 1064154332 /nfs/dbraw/zinc/15/43/32/1064154332.db2.gz HPOGZFUZWDHPBF-FPOVZHCZSA-N 1 1 459.683 2.530 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001296086308 1064154368 /nfs/dbraw/zinc/15/43/68/1064154368.db2.gz HPOGZFUZWDHPBF-PZJWPPBQSA-N 1 1 459.683 2.530 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001296087125 1064156146 /nfs/dbraw/zinc/15/61/46/1064156146.db2.gz JZCURBNNBLVUKC-WBVHZDCISA-N 1 1 461.554 2.753 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087944 1064157303 /nfs/dbraw/zinc/15/73/03/1064157303.db2.gz PFHADAVJFORATC-WOJBJXKFSA-N 1 1 478.638 2.688 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291619336 1064157280 /nfs/dbraw/zinc/15/72/80/1064157280.db2.gz CIMJNQVQXLCJRY-HBMCJLEFSA-N 1 1 461.699 2.758 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619632 1064157735 /nfs/dbraw/zinc/15/77/35/1064157735.db2.gz DJEXOYYNQAQGKN-MOPGFXCFSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619632 1064157739 /nfs/dbraw/zinc/15/77/39/1064157739.db2.gz DJEXOYYNQAQGKN-MOPGFXCFSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619635 1064157764 /nfs/dbraw/zinc/15/77/64/1064157764.db2.gz DJEXOYYNQAQGKN-OALUTQOASA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619635 1064157767 /nfs/dbraw/zinc/15/77/67/1064157767.db2.gz DJEXOYYNQAQGKN-OALUTQOASA-N 1 1 467.680 2.839 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088955 1064159547 /nfs/dbraw/zinc/15/95/47/1064159547.db2.gz WVUAHHYXIXTXHX-IFMALSPDSA-N 1 1 474.675 2.627 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296089363 1064160543 /nfs/dbraw/zinc/16/05/43/1064160543.db2.gz PDCBNSSLRJUCQU-RXVVDRJESA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 ZINC001296089764 1064161122 /nfs/dbraw/zinc/16/11/22/1064161122.db2.gz ROCBFPDALCIVCL-ZDUSSCGKSA-N 1 1 453.410 2.580 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 ZINC001296090377 1064161916 /nfs/dbraw/zinc/16/19/16/1064161916.db2.gz VPGPUEWJVZRDAO-INIZCTEOSA-N 1 1 455.987 2.847 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001296091003 1064162492 /nfs/dbraw/zinc/16/24/92/1064162492.db2.gz YREROYGNAOIGBU-GOSISDBHSA-N 1 1 461.408 2.908 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001296091885 1064163696 /nfs/dbraw/zinc/16/36/96/1064163696.db2.gz DILQDJARJYZSMZ-VNXZQDSDSA-N 1 1 470.666 2.898 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296092052 1064164062 /nfs/dbraw/zinc/16/40/62/1064164062.db2.gz FRAJIEWPJNTNAH-HXUWFJFHSA-N 1 1 460.648 2.542 20 0 JFADMO CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296092609 1064164581 /nfs/dbraw/zinc/16/45/81/1064164581.db2.gz JCKAQWHTZFPKSN-NHCUHLMSSA-N 1 1 475.659 2.787 20 0 JFADMO CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296092611 1064164599 /nfs/dbraw/zinc/16/45/99/1064164599.db2.gz JCKAQWHTZFPKSN-RTWAWAEBSA-N 1 1 475.659 2.787 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001296093494 1064165674 /nfs/dbraw/zinc/16/56/74/1064165674.db2.gz NYXFZLDZFDDJBJ-YMPZKCBVSA-N 1 1 483.661 2.506 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094713 1064166600 /nfs/dbraw/zinc/16/66/00/1064166600.db2.gz DEVOXJJCTRTLHL-FGZHOGPDSA-N 1 1 467.662 2.799 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095390 1064168652 /nfs/dbraw/zinc/16/86/52/1064168652.db2.gz ITYDJXXUBMGUGN-GHTZIAJQSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001296097388 1064170128 /nfs/dbraw/zinc/17/01/28/1064170128.db2.gz QCKGWUDDUJPRGU-IBGZPJMESA-N 1 1 454.685 2.700 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291629389 1064173492 /nfs/dbraw/zinc/17/34/92/1064173492.db2.gz NUNIMOBSWSVFQN-KRWDZBQOSA-N 1 1 451.550 2.795 20 0 JFADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCn2cc[nH+]c2C)CC1=O ZINC001296100220 1064173836 /nfs/dbraw/zinc/17/38/36/1064173836.db2.gz GJDOCXVCHJYTOT-KRWDZBQOSA-N 1 1 455.538 2.821 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1CC(=O)NC(C)C ZINC001291631837 1064179223 /nfs/dbraw/zinc/17/92/23/1064179223.db2.gz ZTJYITHPFRJVOD-SFHVURJKSA-N 1 1 458.607 2.656 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1=CCCOC1 ZINC001291631754 1064179325 /nfs/dbraw/zinc/17/93/25/1064179325.db2.gz QRFPJIPPCALIBP-IRLDBZIGSA-N 1 1 455.603 2.700 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1CCOCC1 ZINC001291632461 1064181554 /nfs/dbraw/zinc/18/15/54/1064181554.db2.gz TVXCWIOHRNUDJG-IRLDBZIGSA-N 1 1 457.619 2.780 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1CCOCC1 ZINC001291632460 1064181570 /nfs/dbraw/zinc/18/15/70/1064181570.db2.gz TVXCWIOHRNUDJG-IFMALSPDSA-N 1 1 457.619 2.780 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637117 1064184676 /nfs/dbraw/zinc/18/46/76/1064184676.db2.gz DFJWTOPNGIVJSP-VQTJNVASSA-N 1 1 452.607 2.676 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001296106551 1064185468 /nfs/dbraw/zinc/18/54/68/1064185468.db2.gz UZGAHTRRLDHLIG-UHFFFAOYSA-N 1 1 461.010 2.768 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639560 1064187558 /nfs/dbraw/zinc/18/75/58/1064187558.db2.gz NLSJTUFCMBPNKG-SIKLNZKXSA-N 1 1 459.614 2.605 20 0 JFADMO CCN1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1=O ZINC001296108916 1064187637 /nfs/dbraw/zinc/18/76/37/1064187637.db2.gz UGSMYXGZQXEQIS-UHFFFAOYSA-N 1 1 464.618 2.626 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639702 1064187961 /nfs/dbraw/zinc/18/79/61/1064187961.db2.gz ODBMEQCSPRYSQD-OFNKIYASSA-N 1 1 455.651 2.775 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296110513 1064188988 /nfs/dbraw/zinc/18/89/88/1064188988.db2.gz MVRPDHCMRUERQE-BGYRXZFFSA-N 1 1 486.636 2.954 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001291641852 1064191336 /nfs/dbraw/zinc/19/13/36/1064191336.db2.gz GDQOUYPKGYYDCZ-LJQANCHMSA-N 1 1 480.654 2.632 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296111811 1064192222 /nfs/dbraw/zinc/19/22/22/1064192222.db2.gz DNUXZDULUDSFAY-HXUWFJFHSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291643441 1064194579 /nfs/dbraw/zinc/19/45/79/1064194579.db2.gz PDVMRWKMZDGSGB-IPMKNSEASA-N 1 1 476.588 2.602 20 0 JFADMO CCN1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1=O ZINC001296116140 1064195944 /nfs/dbraw/zinc/19/59/44/1064195944.db2.gz AJEYTTINADYWIW-FQEVSTJZSA-N 1 1 454.619 2.615 20 0 JFADMO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001296117811 1064199378 /nfs/dbraw/zinc/19/93/78/1064199378.db2.gz WOTUNMODBPCIII-UHFFFAOYSA-N 1 1 470.666 2.853 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](C)COC)CC2)CC1 ZINC001296118696 1064201330 /nfs/dbraw/zinc/20/13/30/1064201330.db2.gz HFPHUVICUJRPTD-FQEVSTJZSA-N 1 1 483.661 2.702 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3CCn3cc(C)cn3)CC2)CC1 ZINC001296118826 1064202281 /nfs/dbraw/zinc/20/22/81/1064202281.db2.gz KNKMRWIOKQFNJQ-UHFFFAOYSA-N 1 1 484.693 2.842 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](OC)C(C)C)CC2)CC1 ZINC001296118918 1064202744 /nfs/dbraw/zinc/20/27/44/1064202744.db2.gz LMQDFYOVYIAWDN-JOCHJYFZSA-N 1 1 471.650 2.715 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)CC)CC2)CC1 ZINC001296119063 1064203553 /nfs/dbraw/zinc/20/35/53/1064203553.db2.gz OEOFRXIYDJDUJX-VWLOTQADSA-N 1 1 462.683 2.798 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001291652176 1064205531 /nfs/dbraw/zinc/20/55/31/1064205531.db2.gz RIQQOAZCKOQIMZ-PZJWPPBQSA-N 1 1 467.618 2.786 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291654312 1064206335 /nfs/dbraw/zinc/20/63/35/1064206335.db2.gz GTEMDJVSSHFTMN-GHTZIAJQSA-N 1 1 454.619 2.580 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120371 1064209319 /nfs/dbraw/zinc/20/93/19/1064209319.db2.gz IFCUGVTVSZNACT-GOSISDBHSA-N 1 1 460.696 2.827 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296120337 1064209436 /nfs/dbraw/zinc/20/94/36/1064209436.db2.gz HNYITWJQNJBMIR-TXTKFYIRSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121076 1064211684 /nfs/dbraw/zinc/21/16/84/1064211684.db2.gz MRFSCGCALQTIJG-SFHVURJKSA-N 1 1 477.057 2.919 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121074 1064211803 /nfs/dbraw/zinc/21/18/03/1064211803.db2.gz MRFSCGCALQTIJG-GOSISDBHSA-N 1 1 477.057 2.919 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291669990 1064212774 /nfs/dbraw/zinc/21/27/74/1064212774.db2.gz NDIKMFUQZPHRBO-XUVXKRRUSA-N 1 1 474.654 2.902 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291672382 1064214137 /nfs/dbraw/zinc/21/41/37/1064214137.db2.gz QVHVLUKGDZZUBV-AUSIDOKSSA-N 1 1 468.646 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122894 1064215747 /nfs/dbraw/zinc/21/57/47/1064215747.db2.gz ZVXRMMPBXQMZEZ-VQTJNVASSA-N 1 1 478.645 2.528 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123901 1064216088 /nfs/dbraw/zinc/21/60/88/1064216088.db2.gz DLKMIIYYEJZFSO-INIZCTEOSA-N 1 1 482.460 2.850 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124802 1064217606 /nfs/dbraw/zinc/21/76/06/1064217606.db2.gz JDFYGJZAXQNPMJ-UXHICEINSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125232 1064218282 /nfs/dbraw/zinc/21/82/82/1064218282.db2.gz LKZUGSXZNLMZQA-VQTJNVASSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126022 1064219607 /nfs/dbraw/zinc/21/96/07/1064219607.db2.gz OQXWXVGXPSJGIJ-MSOLQXFVSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126887 1064221333 /nfs/dbraw/zinc/22/13/33/1064221333.db2.gz SNQWNFIOTOKFKP-LJQANCHMSA-N 1 1 479.629 2.869 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296126850 1064221375 /nfs/dbraw/zinc/22/13/75/1064221375.db2.gz RYJIXMIUSMDOAF-TXTKFYIRSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127360 1064221670 /nfs/dbraw/zinc/22/16/70/1064221670.db2.gz UXZYBVLBDKKSBI-HRFSGMKKSA-N 1 1 481.689 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127619 1064221704 /nfs/dbraw/zinc/22/17/04/1064221704.db2.gz VODMVGSCBQAWCP-QGZVFWFLSA-N 1 1 494.015 2.652 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127624 1064222090 /nfs/dbraw/zinc/22/20/90/1064222090.db2.gz VQXHGYICBZJENI-FQEVSTJZSA-N 1 1 481.645 2.926 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128046 1064222371 /nfs/dbraw/zinc/22/23/71/1064222371.db2.gz XJDOERKBFNNASU-RTWAWAEBSA-N 1 1 498.676 2.812 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128327 1064222538 /nfs/dbraw/zinc/22/25/38/1064222538.db2.gz YBPCJWQIYHOAEH-IRXDYDNUSA-N 1 1 494.471 2.945 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129607 1064222749 /nfs/dbraw/zinc/22/27/49/1064222749.db2.gz AYJPWFCPULZGOJ-FCHUYYIVSA-N 1 1 456.635 2.632 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129955 1064223205 /nfs/dbraw/zinc/22/32/05/1064223205.db2.gz CZVULFFXBLVDHK-RBUKOAKNSA-N 1 1 461.655 2.627 20 0 JFADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)COc2ccccc2)c1 ZINC001291708653 1064223525 /nfs/dbraw/zinc/22/35/25/1064223525.db2.gz COPKCWXSYLVLMM-KRWDZBQOSA-N 1 1 456.518 2.772 20 0 JFADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)COc2ccccc2)c1 ZINC001291708653 1064223530 /nfs/dbraw/zinc/22/35/30/1064223530.db2.gz COPKCWXSYLVLMM-KRWDZBQOSA-N 1 1 456.518 2.772 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130033 1064223580 /nfs/dbraw/zinc/22/35/80/1064223580.db2.gz AWWIRFKZMDDADT-NRFANRHFSA-N 1 1 499.679 2.994 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001296130769 1064224235 /nfs/dbraw/zinc/22/42/35/1064224235.db2.gz FTIMXEQFBUFLMR-FQEVSTJZSA-N 1 1 466.634 2.740 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296131346 1064225407 /nfs/dbraw/zinc/22/54/07/1064225407.db2.gz JTZVXRLLOYWNBE-QGZVFWFLSA-N 1 1 451.063 2.916 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131432 1064226044 /nfs/dbraw/zinc/22/60/44/1064226044.db2.gz KQLOVDNSUQPFKG-LEWJYISDSA-N 1 1 493.697 2.705 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132074 1064228453 /nfs/dbraw/zinc/22/84/53/1064228453.db2.gz QOLPGHIPESAFCJ-SFHVURJKSA-N 1 1 490.599 2.563 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296132433 1064229664 /nfs/dbraw/zinc/22/96/64/1064229664.db2.gz UDDJICTYQNFPDO-IFMALSPDSA-N 1 1 455.651 2.541 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132344 1064229785 /nfs/dbraw/zinc/22/97/85/1064229785.db2.gz SMXPGNKXZKPYRG-CJFMBICVSA-N 1 1 462.683 2.667 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133186 1064232691 /nfs/dbraw/zinc/23/26/91/1064232691.db2.gz GMKVHNFFSKUSHE-DFBJGRDBSA-N 1 1 458.626 2.839 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134763 1064236529 /nfs/dbraw/zinc/23/65/29/1064236529.db2.gz PYSORDIYKBXUBZ-CQSZACIVSA-N 1 1 462.400 2.539 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296134672 1064236698 /nfs/dbraw/zinc/23/66/98/1064236698.db2.gz ZMTRTGVPNBPYOX-UTKZUKDTSA-N 1 1 475.588 2.560 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001291754815 1064236994 /nfs/dbraw/zinc/23/69/94/1064236994.db2.gz YAIYGZAWYBAVLH-KRWDZBQOSA-N 1 1 466.590 2.530 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2)CC1 ZINC001296135203 1064238840 /nfs/dbraw/zinc/23/88/40/1064238840.db2.gz XEHYHYZRLALXCS-GOSISDBHSA-N 1 1 471.631 2.525 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291759737 1064240056 /nfs/dbraw/zinc/24/00/56/1064240056.db2.gz HVPCFYCQCTXDJD-ZWKOTPCHSA-N 1 1 450.591 2.732 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291759870 1064240446 /nfs/dbraw/zinc/24/04/46/1064240446.db2.gz LOMAMUBLJPILIU-MSOLQXFVSA-N 1 1 465.643 2.592 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291759752 1064240557 /nfs/dbraw/zinc/24/05/57/1064240557.db2.gz KAWKSGQRCCKXIA-HXUWFJFHSA-N 1 1 496.660 2.885 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760015 1064240992 /nfs/dbraw/zinc/24/09/92/1064240992.db2.gz MODWPKMMEPFDMR-UXHICEINSA-N 1 1 484.649 2.705 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 ZINC001291760020 1064241347 /nfs/dbraw/zinc/24/13/47/1064241347.db2.gz MQNWIACXSMCPBR-IBGZPJMESA-N 1 1 490.722 2.807 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(C(C)C)CC1 ZINC001291760020 1064241356 /nfs/dbraw/zinc/24/13/56/1064241356.db2.gz MQNWIACXSMCPBR-IBGZPJMESA-N 1 1 490.722 2.807 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241820 /nfs/dbraw/zinc/24/18/20/1064241820.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 1 1 467.662 2.511 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241827 /nfs/dbraw/zinc/24/18/27/1064241827.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 1 1 467.662 2.511 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001291760865 1064242112 /nfs/dbraw/zinc/24/21/12/1064242112.db2.gz OGZCCOBQANBVND-LQWHRVPQSA-N 1 1 463.648 2.940 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760913 1064242291 /nfs/dbraw/zinc/24/22/91/1064242291.db2.gz OQTOEJZBPIMLTH-FDDCHVKYSA-N 1 1 461.632 2.696 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001296136706 1064242216 /nfs/dbraw/zinc/24/22/16/1064242216.db2.gz KJWNYYIWYNVQKZ-GAJHUEQPSA-N 1 1 461.010 2.606 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291763918 1064244641 /nfs/dbraw/zinc/24/46/41/1064244641.db2.gz YPHNZRGOUCKJLU-FXAWDEMLSA-N 1 1 458.607 2.798 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245607 /nfs/dbraw/zinc/24/56/07/1064245607.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 1 1 453.635 2.565 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245613 /nfs/dbraw/zinc/24/56/13/1064245613.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 1 1 453.635 2.565 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245817 /nfs/dbraw/zinc/24/58/17/1064245817.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 1 1 453.635 2.565 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245821 /nfs/dbraw/zinc/24/58/21/1064245821.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 1 1 453.635 2.565 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC001296140943 1064246566 /nfs/dbraw/zinc/24/65/66/1064246566.db2.gz ALDNZVGCBQBRAZ-VQTJNVASSA-N 1 1 453.591 2.767 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001291765651 1064246614 /nfs/dbraw/zinc/24/66/14/1064246614.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001291765652 1064246683 /nfs/dbraw/zinc/24/66/83/1064246683.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 ZINC001291765966 1064247369 /nfs/dbraw/zinc/24/73/69/1064247369.db2.gz SCTQFGOKVWHSNI-SFHVURJKSA-N 1 1 453.595 2.514 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291766204 1064247764 /nfs/dbraw/zinc/24/77/64/1064247764.db2.gz BHYCRPIQHIZAQP-SJORKVTESA-N 1 1 469.055 2.799 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 ZINC001291766263 1064247779 /nfs/dbraw/zinc/24/77/79/1064247779.db2.gz UKUAJJCKLTWHDX-KRWDZBQOSA-N 1 1 479.025 2.632 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)C[C@@H]1C ZINC001296142047 1064248676 /nfs/dbraw/zinc/24/86/76/1064248676.db2.gz IHGVTVPBKOZEOA-HNNXBMFYSA-N 1 1 456.547 2.846 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001296142206 1064249099 /nfs/dbraw/zinc/24/90/99/1064249099.db2.gz BYRVPJVGBPVPAV-IBGZPJMESA-N 1 1 450.591 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](OC)C2CC2)C[C@@H]1C ZINC001296142184 1064249119 /nfs/dbraw/zinc/24/91/19/1064249119.db2.gz KIKGBFIRAZPDGJ-KKSFZXQISA-N 1 1 459.591 2.926 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001296142623 1064249897 /nfs/dbraw/zinc/24/98/97/1064249897.db2.gz DUVVTTJXXCYZLK-MSOLQXFVSA-N 1 1 489.024 2.776 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001291768530 1064250694 /nfs/dbraw/zinc/25/06/94/1064250694.db2.gz XGFPEPAYDWFPLQ-KRWDZBQOSA-N 1 1 466.627 2.723 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cccs2)C[C@H]1C ZINC001296143017 1064250982 /nfs/dbraw/zinc/25/09/82/1064250982.db2.gz OISCEYORJXZUSP-LEOXJPRUSA-N 1 1 463.648 2.818 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)C[C@@H]1C ZINC001296143059 1064251550 /nfs/dbraw/zinc/25/15/50/1064251550.db2.gz OZHJGQODKVZZPI-FNPSIQOESA-N 1 1 489.686 2.776 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001296143390 1064252467 /nfs/dbraw/zinc/25/24/67/1064252467.db2.gz PVSQOPOFKBMCFK-HNNXBMFYSA-N 1 1 480.455 2.881 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291771029 1064252575 /nfs/dbraw/zinc/25/25/75/1064252575.db2.gz DJTMGCLUDDXFKA-QRWLVFNGSA-N 1 1 457.545 2.939 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252634 /nfs/dbraw/zinc/25/26/34/1064252634.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 1 1 482.471 2.545 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252638 /nfs/dbraw/zinc/25/26/38/1064252638.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 1 1 482.471 2.545 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291771030 1064252597 /nfs/dbraw/zinc/25/25/97/1064252597.db2.gz DJTMGCLUDDXFKA-YWZLYKJASA-N 1 1 457.545 2.939 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291770952 1064252637 /nfs/dbraw/zinc/25/26/37/1064252637.db2.gz AXHMQFMLXURRJT-RXVVDRJESA-N 1 1 494.644 2.681 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](CCOC)C1 ZINC001291771148 1064252696 /nfs/dbraw/zinc/25/26/96/1064252696.db2.gz CLOPHXJZCZGQKH-MOPGFXCFSA-N 1 1 467.618 2.785 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001291771321 1064253325 /nfs/dbraw/zinc/25/33/25/1064253325.db2.gz IEYDBIFMQRLSGZ-OAQYLSRUSA-N 1 1 463.630 2.905 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001296143890 1064253461 /nfs/dbraw/zinc/25/34/61/1064253461.db2.gz SFIYTWZYTCVITK-QGZVFWFLSA-N 1 1 492.466 2.979 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001291771378 1064253910 /nfs/dbraw/zinc/25/39/10/1064253910.db2.gz DKXZOZNQACIEID-RTBURBONSA-N 1 1 483.617 2.954 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001296144803 1064254389 /nfs/dbraw/zinc/25/43/89/1064254389.db2.gz WEOJQSRHROJTSZ-HOCLYGCPSA-N 1 1 468.371 2.793 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001291772016 1064255104 /nfs/dbraw/zinc/25/51/04/1064255104.db2.gz NHNYMVFKPFXJAF-OALUTQOASA-N 1 1 458.655 2.786 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255415 /nfs/dbraw/zinc/25/54/15/1064255415.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 1 1 468.650 2.968 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255424 /nfs/dbraw/zinc/25/54/24/1064255424.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 1 1 468.650 2.968 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255695 /nfs/dbraw/zinc/25/56/95/1064255695.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 1 1 462.683 2.970 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255704 /nfs/dbraw/zinc/25/57/04/1064255704.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 1 1 462.683 2.970 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001291772431 1064255757 /nfs/dbraw/zinc/25/57/57/1064255757.db2.gz QWXFDMKJXUVUOK-INIZCTEOSA-N 1 1 457.652 2.809 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772828 1064256327 /nfs/dbraw/zinc/25/63/27/1064256327.db2.gz CPSVCJITDIZBCS-ZWKOTPCHSA-N 1 1 496.628 2.515 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2c[nH]nc2C)C[C@@H]1C ZINC001296145935 1064256331 /nfs/dbraw/zinc/25/63/31/1064256331.db2.gz HIZOHSLQEARKTR-KRWDZBQOSA-N 1 1 471.631 2.543 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001291772831 1064256692 /nfs/dbraw/zinc/25/66/92/1064256692.db2.gz CQFUEQZBNGJLLI-RYQLBKOJSA-N 1 1 459.607 2.782 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCCCO2)C[C@@H]1C ZINC001296146252 1064256742 /nfs/dbraw/zinc/25/67/42/1064256742.db2.gz JQGJIMWZTSUPGJ-AZUAARDMSA-N 1 1 461.632 2.838 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCO1 ZINC001291773173 1064257771 /nfs/dbraw/zinc/25/77/71/1064257771.db2.gz SNWMYIAKWSULCU-QZTJIDSGSA-N 1 1 453.591 2.538 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291773395 1064258306 /nfs/dbraw/zinc/25/83/06/1064258306.db2.gz GYOOWOTXEGNVAI-SJLPKXTDSA-N 1 1 476.651 2.609 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296148175 1064259337 /nfs/dbraw/zinc/25/93/37/1064259337.db2.gz TZULNANZQURRCB-MRXNPFEDSA-N 1 1 491.434 2.520 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001291773673 1064259354 /nfs/dbraw/zinc/25/93/54/1064259354.db2.gz ISYYWSUNWBNFCZ-FHWLQOOXSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001291773644 1064259443 /nfs/dbraw/zinc/25/94/43/1064259443.db2.gz ILTGHKZLJCXIGX-JAXLGGSGSA-N 1 1 475.659 2.797 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001291773677 1064259488 /nfs/dbraw/zinc/25/94/88/1064259488.db2.gz ISYYWSUNWBNFCZ-IPMKNSEASA-N 1 1 461.611 2.987 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296149829 1064261807 /nfs/dbraw/zinc/26/18/07/1064261807.db2.gz LBAOQKQKPFMHDY-QUCCMNQESA-N 1 1 470.618 2.751 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291774096 1064261845 /nfs/dbraw/zinc/26/18/45/1064261845.db2.gz LMIGPADECMAJCS-IPJJNNNSSA-N 1 1 491.658 2.924 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001296151387 1064262887 /nfs/dbraw/zinc/26/28/87/1064262887.db2.gz YYDBNONJVFSCDH-AZUAARDMSA-N 1 1 459.591 2.687 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291774984 1064263606 /nfs/dbraw/zinc/26/36/06/1064263606.db2.gz SWHHTVNWZLRWKN-ICSRJNTNSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001296154098 1064264360 /nfs/dbraw/zinc/26/43/60/1064264360.db2.gz BNHJVNJNUZONSL-IBGZPJMESA-N 1 1 468.627 2.825 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 ZINC001291775764 1064264374 /nfs/dbraw/zinc/26/43/74/1064264374.db2.gz ZIKPNQQBTVVMAE-YLJYHZDGSA-N 1 1 464.561 2.908 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001291775371 1064264420 /nfs/dbraw/zinc/26/44/20/1064264420.db2.gz WMKOOOQNVMNNDV-RBBKRZOGSA-N 1 1 486.636 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296154358 1064264543 /nfs/dbraw/zinc/26/45/43/1064264543.db2.gz LRERJYNECUQUTI-ROUUACIJSA-N 1 1 477.451 2.959 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296154766 1064265918 /nfs/dbraw/zinc/26/59/18/1064265918.db2.gz JPKSZMZZWUZKDN-INIZCTEOSA-N 1 1 452.529 2.540 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291778342 1064266244 /nfs/dbraw/zinc/26/62/44/1064266244.db2.gz IFAAFNHZJNLBLM-LJQANCHMSA-N 1 1 452.582 2.855 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@H]1C ZINC001296154967 1064266412 /nfs/dbraw/zinc/26/64/12/1064266412.db2.gz LTJMWVLCGQUQGL-VQIMIIECSA-N 1 1 480.535 2.887 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)C2(OC)CCOCC2)C[C@@H]1C ZINC001296155800 1064268082 /nfs/dbraw/zinc/26/80/82/1064268082.db2.gz WSIZMZBGDXFKLN-KRWDZBQOSA-N 1 1 452.550 2.645 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001296156857 1064269181 /nfs/dbraw/zinc/26/91/81/1064269181.db2.gz WACLUPMYIUYQPI-LJQANCHMSA-N 1 1 451.575 2.647 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001291781979 1064269413 /nfs/dbraw/zinc/26/94/13/1064269413.db2.gz KHPSVWRUVCAHMI-HXUWFJFHSA-N 1 1 477.613 2.662 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291782180 1064270094 /nfs/dbraw/zinc/27/00/94/1064270094.db2.gz MBJGLEPCMSQNLF-GOSISDBHSA-N 1 1 454.623 2.598 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001291782148 1064270126 /nfs/dbraw/zinc/27/01/26/1064270126.db2.gz LUCCAPZUCDQHAX-CLOONOSVSA-N 1 1 454.619 2.519 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001296157513 1064270522 /nfs/dbraw/zinc/27/05/22/1064270522.db2.gz YLULYFBNZWCFHO-SFHVURJKSA-N 1 1 468.606 2.833 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296157842 1064271140 /nfs/dbraw/zinc/27/11/40/1064271140.db2.gz FYBILXFYIXGGCR-CTNGQTDRSA-N 1 1 456.639 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001296158183 1064271175 /nfs/dbraw/zinc/27/11/75/1064271175.db2.gz GQVZYQWZQPBGHX-JVFUWBCBSA-N 1 1 492.665 2.932 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(CC)c2)CC1 ZINC001291782760 1064273537 /nfs/dbraw/zinc/27/35/37/1064273537.db2.gz GLDDQKVSMBCFOK-IBGZPJMESA-N 1 1 456.639 2.731 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001291783058 1064274737 /nfs/dbraw/zinc/27/47/37/1064274737.db2.gz IBDHJTAQNZSCKP-RBUKOAKNSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001291783239 1064275259 /nfs/dbraw/zinc/27/52/59/1064275259.db2.gz ZBNZXNPDZCIORN-FPOVZHCZSA-N 1 1 454.619 2.613 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001291783241 1064275371 /nfs/dbraw/zinc/27/53/71/1064275371.db2.gz ZBNZXNPDZCIORN-TZIWHRDSSA-N 1 1 454.619 2.613 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291783335 1064275773 /nfs/dbraw/zinc/27/57/73/1064275773.db2.gz ZXBQSJYYSRVVJH-MOPGFXCFSA-N 1 1 468.606 2.524 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291783411 1064276238 /nfs/dbraw/zinc/27/62/38/1064276238.db2.gz LGDZTCMJLGWBFA-LJQANCHMSA-N 1 1 456.591 2.709 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291783396 1064276380 /nfs/dbraw/zinc/27/63/80/1064276380.db2.gz KYPFVBOORCLYOS-IBGZPJMESA-N 1 1 491.681 2.872 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001291783416 1064276495 /nfs/dbraw/zinc/27/64/95/1064276495.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001291783416 1064276507 /nfs/dbraw/zinc/27/65/07/1064276507.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291783397 1064276530 /nfs/dbraw/zinc/27/65/30/1064276530.db2.gz KYPFVBOORCLYOS-LJQANCHMSA-N 1 1 491.681 2.872 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162834 1064276814 /nfs/dbraw/zinc/27/68/14/1064276814.db2.gz PYOALTVJKCWYSO-ACRUOGEOSA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162834 1064276821 /nfs/dbraw/zinc/27/68/21/1064276821.db2.gz PYOALTVJKCWYSO-ACRUOGEOSA-N 1 1 455.651 2.682 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784432 1064278850 /nfs/dbraw/zinc/27/88/50/1064278850.db2.gz RASJLXZAPHOVFO-GBXCKJPGSA-N 1 1 475.659 2.911 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784381 1064279060 /nfs/dbraw/zinc/27/90/60/1064279060.db2.gz GYSZBWNYEDTRFI-SJORKVTESA-N 1 1 462.599 2.794 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001296163745 1064279403 /nfs/dbraw/zinc/27/94/03/1064279403.db2.gz YPEVGENDTHBXOQ-STQSFFJQSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001296163745 1064279415 /nfs/dbraw/zinc/27/94/15/1064279415.db2.gz YPEVGENDTHBXOQ-STQSFFJQSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)C[C@H]1C ZINC001296163713 1064279441 /nfs/dbraw/zinc/27/94/41/1064279441.db2.gz YGYCWIZAMWSVGR-AABGKKOBSA-N 1 1 476.622 2.810 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784488 1064279529 /nfs/dbraw/zinc/27/95/29/1064279529.db2.gz RWGOQFTYPHFHDC-NTKDMRAZSA-N 1 1 491.658 2.611 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291784861 1064280006 /nfs/dbraw/zinc/28/00/06/1064280006.db2.gz SJUAFCQMPNHZGV-HXUWFJFHSA-N 1 1 479.629 2.861 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001291784941 1064280514 /nfs/dbraw/zinc/28/05/14/1064280514.db2.gz SZNMFGXRRABOFM-SJBKTWHCSA-N 1 1 454.619 2.858 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001291784917 1064280748 /nfs/dbraw/zinc/28/07/48/1064280748.db2.gz STZZLCCBMCWINA-ZYLNGJIFSA-N 1 1 473.618 2.980 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296164699 1064282305 /nfs/dbraw/zinc/28/23/05/1064282305.db2.gz BAQXNYLHHXCFNJ-FQEVSTJZSA-N 1 1 456.639 2.509 20 0 JFADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001291787313 1064284757 /nfs/dbraw/zinc/28/47/57/1064284757.db2.gz ZKXRVEQMLJZGPG-HXUWFJFHSA-N 1 1 483.661 2.913 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2OC)C[C@H]1C ZINC001296166166 1064286108 /nfs/dbraw/zinc/28/61/08/1064286108.db2.gz LUQXCZZQFDYKAZ-MRXNPFEDSA-N 1 1 472.590 2.996 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001296168963 1064292022 /nfs/dbraw/zinc/29/20/22/1064292022.db2.gz ZFXAJUSLFQHXMG-HNNXBMFYSA-N 1 1 450.509 2.591 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296168968 1064292604 /nfs/dbraw/zinc/29/26/04/1064292604.db2.gz ZHJZFEALDCNJFC-LJQANCHMSA-N 1 1 458.607 2.955 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296173925 1064299361 /nfs/dbraw/zinc/29/93/61/1064299361.db2.gz MUZKQWVHNPWQQP-OFNKIYASSA-N 1 1 470.662 2.973 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001296174709 1064301808 /nfs/dbraw/zinc/30/18/08/1064301808.db2.gz SEEGRBCUUTZPTC-OIBXWCBGSA-N 1 1 456.635 2.642 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2conc2COC)C[C@@H]1C ZINC001296175581 1064304458 /nfs/dbraw/zinc/30/44/58/1064304458.db2.gz XJXUZCWGLONGDF-KRWDZBQOSA-N 1 1 456.547 2.579 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178644 1064306477 /nfs/dbraw/zinc/30/64/77/1064306477.db2.gz BRRPZNYXKYYVEN-OAQYLSRUSA-N 1 1 455.651 2.927 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(-c4cccn4C)n3CCC[N@@H+](C)C(C)C)CC2)C1=O ZINC001296179611 1064309147 /nfs/dbraw/zinc/30/91/47/1064309147.db2.gz HWBJUQHYFZOWAG-UHFFFAOYSA-N 1 1 456.639 2.740 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180525 1064311351 /nfs/dbraw/zinc/31/13/51/1064311351.db2.gz NUOHPDIEBKCSQC-OAQYLSRUSA-N 1 1 456.635 2.985 20 0 JFADMO O=C(CCC(=O)c1c(F)cccc1F)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001291798984 1064311475 /nfs/dbraw/zinc/31/14/75/1064311475.db2.gz CKFLWERNWDPFHC-UHFFFAOYSA-N 1 1 459.493 2.905 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@H](C)OC)C2)CC1 ZINC001296180562 1064311973 /nfs/dbraw/zinc/31/19/73/1064311973.db2.gz NSFGDWJRUXLOFP-ROUUACIJSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180560 1064312007 /nfs/dbraw/zinc/31/20/07/1064312007.db2.gz NSFGDWJRUXLOFP-QZTJIDSGSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296180740 1064312662 /nfs/dbraw/zinc/31/26/62/1064312662.db2.gz QSKUEZKPDGECHH-AUSIDOKSSA-N 1 1 462.042 2.617 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181256 1064314267 /nfs/dbraw/zinc/31/42/67/1064314267.db2.gz WBTSIDIXSJPCDN-OAQYLSRUSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001291803138 1064314643 /nfs/dbraw/zinc/31/46/43/1064314643.db2.gz ATUTXLFFWQKQHA-HXUWFJFHSA-N 1 1 494.644 2.623 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181637 1064316226 /nfs/dbraw/zinc/31/62/26/1064316226.db2.gz AEQMEWKSKVWEFU-CTNGQTDRSA-N 1 1 475.682 2.702 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001296181844 1064318359 /nfs/dbraw/zinc/31/83/59/1064318359.db2.gz FKGLTGWCNGSUJW-HSZRJFAPSA-N 1 1 497.688 2.559 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181824 1064318579 /nfs/dbraw/zinc/31/85/79/1064318579.db2.gz DYVHWJBDMMMHPY-HOYKHHGWSA-N 1 1 462.589 2.524 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001291804201 1064320458 /nfs/dbraw/zinc/32/04/58/1064320458.db2.gz OYGUDMABZGPUSN-WOJBJXKFSA-N 1 1 484.645 2.948 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291804259 1064321169 /nfs/dbraw/zinc/32/11/69/1064321169.db2.gz PKMGIBRXUKJEHK-QGZVFWFLSA-N 1 1 482.633 2.824 20 0 JFADMO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182226 1064321982 /nfs/dbraw/zinc/32/19/82/1064321982.db2.gz PLFZZSQXOPTBRE-XZOQPEGZSA-N 1 1 461.699 2.855 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296182943 1064325959 /nfs/dbraw/zinc/32/59/59/1064325959.db2.gz BMQIVHUECHIZOO-FQEVSTJZSA-N 1 1 488.080 2.931 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296183514 1064329113 /nfs/dbraw/zinc/32/91/13/1064329113.db2.gz DXMVWGGLDTYTHZ-FQEVSTJZSA-N 1 1 491.631 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296186680 1064334278 /nfs/dbraw/zinc/33/42/78/1064334278.db2.gz XWYFXPGMHIMNHB-IRLDBZIGSA-N 1 1 486.661 2.851 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296186682 1064334961 /nfs/dbraw/zinc/33/49/61/1064334961.db2.gz XWYFXPGMHIMNHB-UNMCSNQZSA-N 1 1 486.661 2.851 20 0 JFADMO CC[C@H]1CN(C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC001296188530 1064335571 /nfs/dbraw/zinc/33/55/71/1064335571.db2.gz LELYRVHKURNMOB-SFHVURJKSA-N 1 1 450.539 2.687 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190055 1064337104 /nfs/dbraw/zinc/33/71/04/1064337104.db2.gz BIHBUWHGSLZWLT-FBLLAGFSSA-N 1 1 484.689 2.553 20 0 JFADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001291812609 1064340253 /nfs/dbraw/zinc/34/02/53/1064340253.db2.gz INLOTAFFLGOWIB-NSHDSACASA-N 1 1 452.886 2.595 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190749 1064340463 /nfs/dbraw/zinc/34/04/63/1064340463.db2.gz FFKXBJODWLHZJK-PWHSHALESA-N 1 1 476.616 2.628 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191623 1064342511 /nfs/dbraw/zinc/34/25/11/1064342511.db2.gz KRIVFLUPDOMLOD-OAQYLSRUSA-N 1 1 488.750 2.837 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296191767 1064342731 /nfs/dbraw/zinc/34/27/31/1064342731.db2.gz AUCHJKFLEJLYMU-UHFFFAOYSA-N 1 1 496.498 2.713 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)CC1 ZINC001296192029 1064343356 /nfs/dbraw/zinc/34/33/56/1064343356.db2.gz LLUCVXGBQRLBEA-NRFANRHFSA-N 1 1 488.725 2.524 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296192302 1064344718 /nfs/dbraw/zinc/34/47/18/1064344718.db2.gz FBKGXHVTRXLDAV-FQEVSTJZSA-N 1 1 491.631 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296192309 1064344740 /nfs/dbraw/zinc/34/47/40/1064344740.db2.gz FCMZGDLVUFQSJL-IFMALSPDSA-N 1 1 467.662 2.619 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291816673 1064346990 /nfs/dbraw/zinc/34/69/90/1064346990.db2.gz HKQRHQVVQSCQSX-KBMIEXCESA-N 1 1 472.609 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192797 1064347460 /nfs/dbraw/zinc/34/74/60/1064347460.db2.gz GPNLFARUOWHYJW-LEWJYISDSA-N 1 1 456.635 2.986 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192912 1064347865 /nfs/dbraw/zinc/34/78/65/1064347865.db2.gz GXCLNPJRAMIMOJ-UHFFFAOYSA-N 1 1 467.662 2.877 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192875 1064347964 /nfs/dbraw/zinc/34/79/64/1064347964.db2.gz HAWBHZOVSNZQNR-REWPJTCUSA-N 1 1 483.661 2.529 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192900 1064347998 /nfs/dbraw/zinc/34/79/98/1064347998.db2.gz GWEOMNSFJBJSAC-DEJKCJRPSA-N 1 1 462.683 2.902 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296193129 1064348725 /nfs/dbraw/zinc/34/87/25/1064348725.db2.gz HPTXXCPYZNMPFW-GOSISDBHSA-N 1 1 481.567 2.507 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193176 1064348996 /nfs/dbraw/zinc/34/89/96/1064348996.db2.gz HVOVGNZPDRLRSU-FCHUYYIVSA-N 1 1 475.726 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193331 1064349499 /nfs/dbraw/zinc/34/94/99/1064349499.db2.gz IIUMOPPVYJWPMP-KNQAVFIVSA-N 1 1 474.723 2.745 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296193380 1064350279 /nfs/dbraw/zinc/35/02/79/1064350279.db2.gz PBTGNFSUMVLVMV-PCCBWWKXSA-N 1 1 458.626 2.895 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193634 1064351659 /nfs/dbraw/zinc/35/16/59/1064351659.db2.gz KBUNSCIYTHDHOH-FQEVSTJZSA-N 1 1 494.610 2.688 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193707 1064351717 /nfs/dbraw/zinc/35/17/17/1064351717.db2.gz PEGUDNNKFUMLNZ-RBBKRZOGSA-N 1 1 489.709 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193636 1064351844 /nfs/dbraw/zinc/35/18/44/1064351844.db2.gz KBUNSCIYTHDHOH-HXUWFJFHSA-N 1 1 494.610 2.688 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193765 1064352531 /nfs/dbraw/zinc/35/25/31/1064352531.db2.gz QCZHXQSVHGJWQN-BWKNWUBXSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)CC1 ZINC001296194499 1064353168 /nfs/dbraw/zinc/35/31/68/1064353168.db2.gz LYIZFXMMCXWWMF-DHIUTWEWSA-N 1 1 485.652 2.776 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296193959 1064353416 /nfs/dbraw/zinc/35/34/16/1064353416.db2.gz KRPHBDGXDBRYTD-FQEVSTJZSA-N 1 1 454.623 2.579 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194374 1064355482 /nfs/dbraw/zinc/35/54/82/1064355482.db2.gz RORSAPRWGQUEJT-XMMPIXPASA-N 1 1 495.716 2.642 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194501 1064356170 /nfs/dbraw/zinc/35/61/70/1064356170.db2.gz LYJDQCBHPGXLFE-UFYCRDLUSA-N 1 1 470.609 2.511 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194662 1064356971 /nfs/dbraw/zinc/35/69/71/1064356971.db2.gz NDAAMYRUQLKHJF-IBGZPJMESA-N 1 1 474.723 2.941 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296194848 1064358191 /nfs/dbraw/zinc/35/81/91/1064358191.db2.gz GPGWKGAGSKNANS-JOCHJYFZSA-N 1 1 484.645 2.761 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296194849 1064358243 /nfs/dbraw/zinc/35/82/43/1064358243.db2.gz GPGWKGAGSKNANS-QFIPXVFZSA-N 1 1 484.645 2.761 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(c3cccc(O)c3)CC2)CC1 ZINC001296195267 1064359743 /nfs/dbraw/zinc/35/97/43/1064359743.db2.gz NOBXOXXNBNCSHB-UHFFFAOYSA-N 1 1 455.651 2.851 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCSCC2)CC1 ZINC001296195401 1064361009 /nfs/dbraw/zinc/36/10/09/1064361009.db2.gz JIUXJRIOKHHFKX-UHFFFAOYSA-N 1 1 474.675 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195609 1064361803 /nfs/dbraw/zinc/36/18/03/1064361803.db2.gz WMDQWHCNYBRSAK-OTWHNJEPSA-N 1 1 460.589 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296196049 1064363397 /nfs/dbraw/zinc/36/33/97/1064363397.db2.gz RFFYGTCXGXHNSI-NRFANRHFSA-N 1 1 455.651 2.867 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296196065 1064364141 /nfs/dbraw/zinc/36/41/41/1064364141.db2.gz OOJKLAPPCJOLDY-HXUWFJFHSA-N 1 1 472.634 2.605 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296196094 1064364956 /nfs/dbraw/zinc/36/49/56/1064364956.db2.gz XCZUZDUEXNWSDH-IRFCIJBXSA-N 1 1 495.594 2.694 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296196545 1064368105 /nfs/dbraw/zinc/36/81/05/1064368105.db2.gz UIRJXUHKLIHRPM-KRWDZBQOSA-N 1 1 489.466 2.888 20 0 JFADMO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)CN1CC[NH+](CC)CC1)C(C)C ZINC001296196940 1064371073 /nfs/dbraw/zinc/37/10/73/1064371073.db2.gz WUIZRYOJLMBPOJ-FQEVSTJZSA-N 1 1 480.661 2.700 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197003 1064371876 /nfs/dbraw/zinc/37/18/76/1064371876.db2.gz WPMCWIFZCMVKQF-OFNKIYASSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196993 1064371942 /nfs/dbraw/zinc/37/19/42/1064371942.db2.gz XNKBHIKPUKNKEP-WOJBJXKFSA-N 1 1 475.682 2.875 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291825572 1064372933 /nfs/dbraw/zinc/37/29/33/1064372933.db2.gz BXEWPZWRVDVFAL-KBMIEXCESA-N 1 1 488.608 2.602 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197389 1064373454 /nfs/dbraw/zinc/37/34/54/1064373454.db2.gz XSIQJJZYVQBPLM-GOTSBHOMSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001296197138 1064373563 /nfs/dbraw/zinc/37/35/63/1064373563.db2.gz VEIRFRDCERQHSP-UHFFFAOYSA-N 1 1 492.690 2.668 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296197132 1064373580 /nfs/dbraw/zinc/37/35/80/1064373580.db2.gz UXDULILSNQZYES-HXUWFJFHSA-N 1 1 472.634 2.605 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291827531 1064378191 /nfs/dbraw/zinc/37/81/91/1064378191.db2.gz LVGPUYRXZRDLQY-KHYDEXNFSA-N 1 1 490.693 2.658 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291827528 1064378205 /nfs/dbraw/zinc/37/82/05/1064378205.db2.gz LVGPUYRXZRDLQY-AIDNLNPPSA-N 1 1 490.693 2.658 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296202951 1064379241 /nfs/dbraw/zinc/37/92/41/1064379241.db2.gz JBLJXOWSLRZQIS-NRFANRHFSA-N 1 1 456.635 2.520 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203326 1064381152 /nfs/dbraw/zinc/38/11/52/1064381152.db2.gz KVHZAPGDXJMHJD-SJBKTWHCSA-N 1 1 474.625 2.792 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296203649 1064382140 /nfs/dbraw/zinc/38/21/40/1064382140.db2.gz MOLGDVYZVDZBBC-LRSLUSHPSA-N 1 1 480.723 2.750 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296204539 1064386486 /nfs/dbraw/zinc/38/64/86/1064386486.db2.gz WGOVQFUVLGJZAN-FQEVSTJZSA-N 1 1 473.691 2.717 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296204674 1064387174 /nfs/dbraw/zinc/38/71/74/1064387174.db2.gz VDQMBVQOJSUGST-NRFANRHFSA-N 1 1 457.667 2.830 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)c(F)c2)CC1 ZINC001296205019 1064388681 /nfs/dbraw/zinc/38/86/81/1064388681.db2.gz QIZZPTKNZLZVQF-UHFFFAOYSA-N 1 1 458.561 2.621 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC001296205029 1064388712 /nfs/dbraw/zinc/38/87/12/1064388712.db2.gz QUPHCMDYVCYLPG-WATLYSKOSA-N 1 1 462.683 2.667 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296205772 1064391998 /nfs/dbraw/zinc/39/19/98/1064391998.db2.gz YPNRVFNJINIKNM-LJQANCHMSA-N 1 1 461.655 2.534 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296206250 1064394011 /nfs/dbraw/zinc/39/40/11/1064394011.db2.gz LMHYGTCNYDBGMS-JOCHJYFZSA-N 1 1 497.688 2.674 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296206289 1064394057 /nfs/dbraw/zinc/39/40/57/1064394057.db2.gz MFASHZYWXDKSPK-UHFFFAOYSA-N 1 1 457.026 2.996 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832252 1064395157 /nfs/dbraw/zinc/39/51/57/1064395157.db2.gz GAYPZHZJIUVPJA-FCHUYYIVSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296207341 1064398036 /nfs/dbraw/zinc/39/80/36/1064398036.db2.gz XUEJEMKBVPDQIT-GOSISDBHSA-N 1 1 450.990 2.990 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296211302 1064401862 /nfs/dbraw/zinc/40/18/62/1064401862.db2.gz MFMWQTVDVQTIGX-ISKFKSNPSA-N 1 1 454.663 2.952 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296211867 1064402793 /nfs/dbraw/zinc/40/27/93/1064402793.db2.gz QLIGBRJGAUNYFI-LJQANCHMSA-N 1 1 473.632 2.967 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC001296212381 1064403587 /nfs/dbraw/zinc/40/35/87/1064403587.db2.gz XQTLHZKHZHDYRY-HXUWFJFHSA-N 1 1 458.655 2.970 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001296212076 1064403645 /nfs/dbraw/zinc/40/36/45/1064403645.db2.gz UMKYTWUHHCMHQA-UHFFFAOYSA-N 1 1 499.679 2.996 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296212089 1064403708 /nfs/dbraw/zinc/40/37/08/1064403708.db2.gz UWUFREFKLKYQQW-NRFANRHFSA-N 1 1 477.698 2.998 20 0 JFADMO CCn1nc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC001296212972 1064405135 /nfs/dbraw/zinc/40/51/35/1064405135.db2.gz DCOPFVUGRJYOMR-SFHVURJKSA-N 1 1 494.644 2.640 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001296216029 1064421558 /nfs/dbraw/zinc/42/15/58/1064421558.db2.gz YUYOTRDOGPWQIA-NBLPZQPVSA-N 1 1 474.675 2.531 20 0 JFADMO CCn1nc(-c2nnc(N3CCC[C@@H]3C)n2CC[N@@H+](C)CCCOC)c2ccccc2c1=O ZINC001296218699 1064430173 /nfs/dbraw/zinc/43/01/73/1064430173.db2.gz BVJUXIGJHXIVNE-SFHVURJKSA-N 1 1 453.591 2.632 20 0 JFADMO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219157 1064432348 /nfs/dbraw/zinc/43/23/48/1064432348.db2.gz IWVPMIPEJDOUNP-WIYYLYMNSA-N 1 1 467.618 2.876 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001291839806 1064434635 /nfs/dbraw/zinc/43/46/35/1064434635.db2.gz KCGDQXYQQPILBW-IBGZPJMESA-N 1 1 499.063 2.764 20 0 JFADMO CCn1nc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296221615 1064441103 /nfs/dbraw/zinc/44/11/03/1064441103.db2.gz YIIDOHYJXAVHTD-UHFFFAOYSA-N 1 1 465.602 2.800 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@H](C)CC(N)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC001291841436 1064441138 /nfs/dbraw/zinc/44/11/38/1064441138.db2.gz WBGSYVZYLKNRAE-DZRGJMJISA-N 1 1 486.686 2.728 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291843617 1064449284 /nfs/dbraw/zinc/44/92/84/1064449284.db2.gz CKOJVYUEPPTFLJ-IFMALSPDSA-N 1 1 454.619 2.599 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001296225367 1064454112 /nfs/dbraw/zinc/45/41/12/1064454112.db2.gz MZTATVNTHFJANZ-RXVVDRJESA-N 1 1 487.693 2.812 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296228657 1064461060 /nfs/dbraw/zinc/46/10/60/1064461060.db2.gz PNAYAICHNCYVKL-QGZVFWFLSA-N 1 1 463.026 2.918 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291861319 1064471091 /nfs/dbraw/zinc/47/10/91/1064471091.db2.gz DHZQTHNDBWKEFP-JOCHJYFZSA-N 1 1 468.646 2.893 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291861319 1064471096 /nfs/dbraw/zinc/47/10/96/1064471096.db2.gz DHZQTHNDBWKEFP-JOCHJYFZSA-N 1 1 468.646 2.893 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291862841 1064473212 /nfs/dbraw/zinc/47/32/12/1064473212.db2.gz MDYCVLYNFPHJDY-HXAGEGRHSA-N 1 1 468.646 2.751 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291863292 1064474964 /nfs/dbraw/zinc/47/49/64/1064474964.db2.gz ODOJYYHILNSGCZ-QFIPXVFZSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863292 1064474969 /nfs/dbraw/zinc/47/49/69/1064474969.db2.gz ODOJYYHILNSGCZ-QFIPXVFZSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863292 1064474973 /nfs/dbraw/zinc/47/49/73/1064474973.db2.gz ODOJYYHILNSGCZ-QFIPXVFZSA-N 1 1 467.662 2.548 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001296234897 1064480779 /nfs/dbraw/zinc/48/07/79/1064480779.db2.gz UEUWDHWKSUXEFY-PMACEKPBSA-N 1 1 470.666 2.932 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001296240229 1064489431 /nfs/dbraw/zinc/48/94/31/1064489431.db2.gz FKACIUQXWVCGRL-UHFFFAOYSA-N 1 1 470.666 2.771 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291887941 1064510133 /nfs/dbraw/zinc/51/01/33/1064510133.db2.gz LJEUOCFPGBSCOV-ACIOBRDBSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887955 1064510441 /nfs/dbraw/zinc/51/04/41/1064510441.db2.gz LPUFMWXBZWNMSW-RJGXRXQPSA-N 1 1 468.646 2.879 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889228 1064514030 /nfs/dbraw/zinc/51/40/30/1064514030.db2.gz ZXNXGECHGXRWIU-RDGATRHJSA-N 1 1 481.689 2.762 20 0 JFADMO CCNC(=O)C1(Cn2c([C@H](C)CC)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC001296256477 1064520788 /nfs/dbraw/zinc/52/07/88/1064520788.db2.gz IKCRQFXQCVCRTA-LJQANCHMSA-N 1 1 456.639 2.544 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893516 1064522368 /nfs/dbraw/zinc/52/23/68/1064522368.db2.gz MHORVMPEYDYQDA-VXKWHMMOSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893516 1064522387 /nfs/dbraw/zinc/52/23/87/1064522387.db2.gz MHORVMPEYDYQDA-VXKWHMMOSA-N 1 1 454.619 2.503 20 0 JFADMO C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257217 1064522519 /nfs/dbraw/zinc/52/25/19/1064522519.db2.gz GVTNYFGYUGWCDR-LSDHHAIUSA-N 1 1 450.377 2.683 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291895607 1064527200 /nfs/dbraw/zinc/52/72/00/1064527200.db2.gz XJCMUZUNNQIYDK-IFMALSPDSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291900927 1064531541 /nfs/dbraw/zinc/53/15/41/1064531541.db2.gz KIQYSRNFUQKDBK-GGAORHGYSA-N 1 1 472.703 2.662 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cc1 ZINC001296271140 1064539392 /nfs/dbraw/zinc/53/93/92/1064539392.db2.gz CBFWFNLTCBJNOY-GOSISDBHSA-N 1 1 466.586 2.801 20 0 JFADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001291923922 1064544837 /nfs/dbraw/zinc/54/48/37/1064544837.db2.gz SWIBMJWKEWKSLK-OAQYLSRUSA-N 1 1 473.666 2.710 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)SC ZINC001291932732 1064550789 /nfs/dbraw/zinc/55/07/89/1064550789.db2.gz KASKYSWEBDSVLZ-RTBURBONSA-N 1 1 499.747 2.792 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)SC ZINC001291932732 1064550804 /nfs/dbraw/zinc/55/08/04/1064550804.db2.gz KASKYSWEBDSVLZ-RTBURBONSA-N 1 1 499.747 2.792 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001291934855 1064553922 /nfs/dbraw/zinc/55/39/22/1064553922.db2.gz YSCHNGQTIPIYEO-HXUWFJFHSA-N 1 1 489.690 2.582 20 0 JFADMO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291946201 1064560793 /nfs/dbraw/zinc/56/07/93/1064560793.db2.gz SPXAHPHLWZALDI-KSEOMHKRSA-N 1 1 453.587 2.566 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)CC1 ZINC001296288606 1064561785 /nfs/dbraw/zinc/56/17/85/1064561785.db2.gz LPEPPEWDWZOSKO-LJQANCHMSA-N 1 1 487.718 2.730 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001291952648 1064565669 /nfs/dbraw/zinc/56/56/69/1064565669.db2.gz MUZUYKXVOAZWBE-UNMCSNQZSA-N 1 1 476.666 2.514 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(CC)C1)[NH+]1CCOCC1 ZINC001291954960 1064569157 /nfs/dbraw/zinc/56/91/57/1064569157.db2.gz WLXAUXCWCCJTRU-BWKNWUBXSA-N 1 1 476.666 2.656 20 0 JFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001291958770 1064572204 /nfs/dbraw/zinc/57/22/04/1064572204.db2.gz HAJIVFCVLJLWJV-GHTZIAJQSA-N 1 1 458.603 2.977 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001296303076 1064583288 /nfs/dbraw/zinc/58/32/88/1064583288.db2.gz ZBFSKGVGPSQDKA-MOPGFXCFSA-N 1 1 473.597 2.893 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312216 1064592212 /nfs/dbraw/zinc/59/22/12/1064592212.db2.gz VMQIRMCDRQLPLR-UXHICEINSA-N 1 1 469.634 2.926 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296315555 1064594827 /nfs/dbraw/zinc/59/48/27/1064594827.db2.gz RYWRIAZPAULNIR-PMACEKPBSA-N 1 1 461.655 2.534 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296315557 1064594872 /nfs/dbraw/zinc/59/48/72/1064594872.db2.gz RYWRIAZPAULNIR-VQTJNVASSA-N 1 1 461.655 2.534 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCc2ccccc2C1 ZINC001291988130 1064601964 /nfs/dbraw/zinc/60/19/64/1064601964.db2.gz FTAUGLDPRMUDDC-UHFFFAOYSA-N 1 1 483.661 2.606 20 0 JFADMO Cc1c(Cl)c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)sc1S(N)(=O)=O ZINC001291989886 1064605145 /nfs/dbraw/zinc/60/51/45/1064605145.db2.gz CUGJVIQGXJEPGH-LBPRGKRZSA-N 1 1 458.005 2.508 20 0 JFADMO Cc1c(Cl)c(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)sc1S(N)(=O)=O ZINC001291989886 1064605150 /nfs/dbraw/zinc/60/51/50/1064605150.db2.gz CUGJVIQGXJEPGH-LBPRGKRZSA-N 1 1 458.005 2.508 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001296327831 1064622217 /nfs/dbraw/zinc/62/22/17/1064622217.db2.gz ZHHUWLKDOKKVDE-LEWJYISDSA-N 1 1 460.648 2.584 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CC12CCOCC2 ZINC001292008575 1064630381 /nfs/dbraw/zinc/63/03/81/1064630381.db2.gz NVICLLNDCMIBLJ-HSALFYBXSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CC12CCOCC2 ZINC001292008575 1064630400 /nfs/dbraw/zinc/63/04/00/1064630400.db2.gz NVICLLNDCMIBLJ-HSALFYBXSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292013004 1064638047 /nfs/dbraw/zinc/63/80/47/1064638047.db2.gz GXICUFBIBFIBDE-FCHUYYIVSA-N 1 1 481.645 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292013796 1064641457 /nfs/dbraw/zinc/64/14/57/1064641457.db2.gz MNYDUHJFMWOCID-AUSIDOKSSA-N 1 1 495.672 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001292014058 1064642839 /nfs/dbraw/zinc/64/28/39/1064642839.db2.gz NYAPIXLIPCDOGK-NNWRFLSQSA-N 1 1 487.693 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H]1CCCCS1 ZINC001292016456 1064649175 /nfs/dbraw/zinc/64/91/75/1064649175.db2.gz FFHDJHFLOPEICX-IHPCNDPISA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC=C(C)C ZINC001292017654 1064651560 /nfs/dbraw/zinc/65/15/60/1064651560.db2.gz LMWDARKOCDEQHH-REWPJTCUSA-N 1 1 487.693 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1 ZINC001292018348 1064654053 /nfs/dbraw/zinc/65/40/53/1064654053.db2.gz QSRASLCMCSPUIV-OFNKIYASSA-N 1 1 468.646 2.986 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019383 1064657776 /nfs/dbraw/zinc/65/77/76/1064657776.db2.gz FBMFXSIGZJSBPQ-FHWLQOOXSA-N 1 1 456.639 2.575 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292023036 1064667193 /nfs/dbraw/zinc/66/71/93/1064667193.db2.gz NUJNXWFNCNKKJO-YQQAZPJKSA-N 1 1 460.545 2.694 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001292026850 1064680411 /nfs/dbraw/zinc/68/04/11/1064680411.db2.gz OFRCECZWRANGLI-JOCHJYFZSA-N 1 1 491.434 2.546 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCCn1ccnc1C ZINC001292029702 1064683129 /nfs/dbraw/zinc/68/31/29/1064683129.db2.gz DYEZXTWAUPYFRM-WIYYLYMNSA-N 1 1 456.639 2.855 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030034 1064686049 /nfs/dbraw/zinc/68/60/49/1064686049.db2.gz KKFJPMPWYKEWLK-IEBWSBKVSA-N 1 1 477.654 2.736 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001292046393 1064711253 /nfs/dbraw/zinc/71/12/53/1064711253.db2.gz SVNHLHGUPNHGPX-WUMKDDEVSA-N 1 1 498.672 2.673 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292046699 1064711571 /nfs/dbraw/zinc/71/15/71/1064711571.db2.gz VLROKXDPASFTPE-OAQYLSRUSA-N 1 1 473.666 2.686 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001292048255 1064713422 /nfs/dbraw/zinc/71/34/22/1064713422.db2.gz GUFLYHCYNIAUCK-KRWDZBQOSA-N 1 1 456.639 2.797 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292053707 1064718672 /nfs/dbraw/zinc/71/86/72/1064718672.db2.gz RPAXODRWZKQQKY-GOTSBHOMSA-N 1 1 490.693 2.949 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(C)c(OC)c1 ZINC001292054766 1064721567 /nfs/dbraw/zinc/72/15/67/1064721567.db2.gz IXJUDIHHAOUGGW-OAQYLSRUSA-N 1 1 484.645 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(C)CCCS1 ZINC001292055085 1064723135 /nfs/dbraw/zinc/72/31/35/1064723135.db2.gz MUDPESXFXOQNBY-WZONZLPQSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CC2)OC(=O)NC32CCC2)n1CC[N@@H+](C)C(C)C ZINC001292070316 1064749260 /nfs/dbraw/zinc/74/92/60/1064749260.db2.gz MCQBNXRVYQYZOW-UHFFFAOYSA-N 1 1 475.638 2.538 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292070557 1064749696 /nfs/dbraw/zinc/74/96/96/1064749696.db2.gz OCCVOSLDBYJBLF-WOJBJXKFSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001292079363 1064762735 /nfs/dbraw/zinc/76/27/35/1064762735.db2.gz REKARVMYGYCPPI-YSIASYRMSA-N 1 1 476.622 2.679 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292084887 1064766618 /nfs/dbraw/zinc/76/66/18/1064766618.db2.gz JPEDMOKZLCACFJ-SIKLNZKXSA-N 1 1 495.672 2.606 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292094430 1064784313 /nfs/dbraw/zinc/78/43/13/1064784313.db2.gz KQEQIJPHZYIHCR-QUCCMNQESA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292097511 1064788763 /nfs/dbraw/zinc/78/87/63/1064788763.db2.gz RVVJDVHDAOZEND-VXKWHMMOSA-N 1 1 486.665 2.628 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292102198 1064792853 /nfs/dbraw/zinc/79/28/53/1064792853.db2.gz UXILMLWWMHSCBI-OALUTQOASA-N 1 1 457.623 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292102199 1064792921 /nfs/dbraw/zinc/79/29/21/1064792921.db2.gz UXILMLWWMHSCBI-RBUKOAKNSA-N 1 1 457.623 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001292105226 1064798181 /nfs/dbraw/zinc/79/81/81/1064798181.db2.gz LHCCBMOOMSSDED-BWKNWUBXSA-N 1 1 476.666 2.845 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292105460 1064798673 /nfs/dbraw/zinc/79/86/73/1064798673.db2.gz KXHKAIVBBRFWJW-LJQANCHMSA-N 1 1 475.682 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001292105715 1064799813 /nfs/dbraw/zinc/79/98/13/1064799813.db2.gz NWJDQOBRFNOOJZ-OAQYLSRUSA-N 1 1 487.693 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292109746 1064808396 /nfs/dbraw/zinc/80/83/96/1064808396.db2.gz KYESCMUVDSINBC-JTHBVZDNSA-N 1 1 495.672 2.735 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001292110303 1064812732 /nfs/dbraw/zinc/81/27/32/1064812732.db2.gz PXLHLLRDDOBUPN-HXUWFJFHSA-N 1 1 484.645 2.692 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001292110303 1064812752 /nfs/dbraw/zinc/81/27/52/1064812752.db2.gz PXLHLLRDDOBUPN-HXUWFJFHSA-N 1 1 484.645 2.692 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292115167 1064831823 /nfs/dbraw/zinc/83/18/23/1064831823.db2.gz LEWVOYGWGBNGFJ-XMMPIXPASA-N 1 1 495.672 2.702 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292115260 1064833035 /nfs/dbraw/zinc/83/30/35/1064833035.db2.gz HFOVMCZXTYHQQZ-HXUWFJFHSA-N 1 1 498.607 2.953 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001292122155 1064856003 /nfs/dbraw/zinc/85/60/03/1064856003.db2.gz OMNIXQJIZXTRCV-UHFFFAOYSA-N 1 1 497.692 2.886 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCc1ccc2c(c1)OCCO2 ZINC001292124088 1064864643 /nfs/dbraw/zinc/86/46/43/1064864643.db2.gz KVJFLDLFSXVOBL-SFHVURJKSA-N 1 1 470.618 2.741 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001292125326 1064868252 /nfs/dbraw/zinc/86/82/52/1064868252.db2.gz BTIYKPCUQDWNQS-BKMJKUGQSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cccc2cccnc21 ZINC001292125354 1064869153 /nfs/dbraw/zinc/86/91/53/1064869153.db2.gz BZJBCSGCZSWWSW-UHFFFAOYSA-N 1 1 465.602 2.561 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1ccc(F)cc1 ZINC001292126117 1064873841 /nfs/dbraw/zinc/87/38/41/1064873841.db2.gz HJEXIWXMRNIISN-JOCHJYFZSA-N 1 1 472.609 2.879 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@]1(C)OCCc2sccc21 ZINC001292126647 1064876324 /nfs/dbraw/zinc/87/63/24/1064876324.db2.gz NCVYRGFEHAKMAU-DEOSSOPVSA-N 1 1 490.674 2.515 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292126765 1064877547 /nfs/dbraw/zinc/87/75/47/1064877547.db2.gz TYRXZCCHJPDANJ-LJQANCHMSA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001292133888 1064890092 /nfs/dbraw/zinc/89/00/92/1064890092.db2.gz KOEOXUDZTLMQGX-SFTDATJTSA-N 1 1 473.666 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001292133887 1064890117 /nfs/dbraw/zinc/89/01/17/1064890117.db2.gz KOEOXUDZTLMQGX-RTWAWAEBSA-N 1 1 473.666 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[C@H](OC)C(F)(F)F ZINC001292134537 1064894752 /nfs/dbraw/zinc/89/47/52/1064894752.db2.gz SZTJFHFWRZJJHX-SJORKVTESA-N 1 1 460.545 2.838 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CSC)c1 ZINC001292134880 1064896707 /nfs/dbraw/zinc/89/67/07/1064896707.db2.gz YAZGXACOBHCRNY-NRFANRHFSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(CSC)c1 ZINC001292134880 1064896714 /nfs/dbraw/zinc/89/67/14/1064896714.db2.gz YAZGXACOBHCRNY-NRFANRHFSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292135408 1064900210 /nfs/dbraw/zinc/90/02/10/1064900210.db2.gz KFLYBUDNVRCMOA-OTWHNJEPSA-N 1 1 464.655 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292136233 1064903489 /nfs/dbraw/zinc/90/34/89/1064903489.db2.gz QWXHFQJMOMIOQR-KDYSTLNUSA-N 1 1 498.672 2.917 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001292145742 1064921486 /nfs/dbraw/zinc/92/14/86/1064921486.db2.gz WKKAWTXSZQDVKW-FQEVSTJZSA-N 1 1 466.590 2.749 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292145951 1064922411 /nfs/dbraw/zinc/92/24/11/1064922411.db2.gz YODBNAGGFKCIDY-IEBWSBKVSA-N 1 1 475.663 2.881 20 0 JFADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC001292158660 1064939143 /nfs/dbraw/zinc/93/91/43/1064939143.db2.gz DJFFNKRGSVOGIB-QFIPXVFZSA-N 1 1 462.602 2.680 20 0 JFADMO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292163741 1064949406 /nfs/dbraw/zinc/94/94/06/1064949406.db2.gz NTZDRIVRGMZORS-NHCUHLMSSA-N 1 1 488.658 2.645 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001292165668 1064953037 /nfs/dbraw/zinc/95/30/37/1064953037.db2.gz PAKJOFAZAXTEAF-NBGIEHNGSA-N 1 1 476.666 2.847 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)NC(=O)OC(C)(C)C ZINC001292172156 1064958441 /nfs/dbraw/zinc/95/84/41/1064958441.db2.gz JFHVYFAHLLYYCK-ZCNNSNEGSA-N 1 1 491.681 2.838 20 0 JFADMO CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292199777 1064991094 /nfs/dbraw/zinc/99/10/94/1064991094.db2.gz OPZDNQFPGUVWTD-UQBPGWFLSA-N 1 1 485.633 2.944 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001292208925 1064998434 /nfs/dbraw/zinc/99/84/34/1064998434.db2.gz RETZGVDGEFWSIA-UYAOXDASSA-N 1 1 469.565 2.889 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211926 1065002095 /nfs/dbraw/zinc/00/20/95/1065002095.db2.gz ZVKNBMOKBYHFOF-RCLSDMTESA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211926 1065002106 /nfs/dbraw/zinc/00/21/06/1065002106.db2.gz ZVKNBMOKBYHFOF-RCLSDMTESA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001292212786 1065003223 /nfs/dbraw/zinc/00/32/23/1065003223.db2.gz WLZTXKYQQLQKGQ-OKZBNKHCSA-N 1 1 453.591 2.536 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292218870 1065005722 /nfs/dbraw/zinc/00/57/22/1065005722.db2.gz JVRFWHCYFAJMHP-UEVCKROQSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292218870 1065005733 /nfs/dbraw/zinc/00/57/33/1065005733.db2.gz JVRFWHCYFAJMHP-UEVCKROQSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOC)CC1)Oc1cccc(F)c1 ZINC001292225779 1065012812 /nfs/dbraw/zinc/01/28/12/1065012812.db2.gz PODUVIFZXUTQSW-FPOVZHCZSA-N 1 1 461.582 2.937 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292226994 1065014633 /nfs/dbraw/zinc/01/46/33/1065014633.db2.gz VCCGNSWGDXNQAU-FGZHOGPDSA-N 1 1 454.619 2.581 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001292231173 1065018041 /nfs/dbraw/zinc/01/80/41/1065018041.db2.gz RMMDQYZPYGLPCP-SXSPYAJSSA-N 1 1 489.064 2.936 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292243506 1065026567 /nfs/dbraw/zinc/02/65/67/1065026567.db2.gz MSDGVOAYKMICDP-VXKWHMMOSA-N 1 1 499.660 2.726 20 0 JFADMO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001292254863 1065037240 /nfs/dbraw/zinc/03/72/40/1065037240.db2.gz HTBUIWVCUGCEKP-MIOZMULLSA-N 1 1 492.665 2.775 20 0 JFADMO CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001292279574 1065054534 /nfs/dbraw/zinc/05/45/34/1065054534.db2.gz BQQKZQYNXOGVNY-UHFFFAOYSA-N 1 1 465.602 2.925 20 0 JFADMO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292284940 1065059254 /nfs/dbraw/zinc/05/92/54/1065059254.db2.gz QSYMIIQZHUGFJX-JOCHJYFZSA-N 1 1 462.683 2.718 20 0 JFADMO CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001292288385 1065060853 /nfs/dbraw/zinc/06/08/53/1065060853.db2.gz APRPNROEHFCRMV-QHCPKHFHSA-N 1 1 482.673 2.747 20 0 JFADMO CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001292289236 1065061332 /nfs/dbraw/zinc/06/13/32/1065061332.db2.gz KUSJYMHZHJDLCC-IFMALSPDSA-N 1 1 457.619 2.608 20 0 JFADMO CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001292292127 1065063747 /nfs/dbraw/zinc/06/37/47/1065063747.db2.gz QUNVKNBYXXVURS-FQEVSTJZSA-N 1 1 454.619 2.662 20 0 JFADMO CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)O1 ZINC001292298224 1065069186 /nfs/dbraw/zinc/06/91/86/1065069186.db2.gz UWCFHNPFNUEYIW-IMIIHFCZSA-N 1 1 489.709 2.759 20 0 JFADMO CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001292300422 1065071766 /nfs/dbraw/zinc/07/17/66/1065071766.db2.gz NKOAUXWZNKSLAA-ZWCUEREDSA-N 1 1 496.703 2.620 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)O1 ZINC001292314941 1065082254 /nfs/dbraw/zinc/08/22/54/1065082254.db2.gz WLZJQJUXFLVLFK-BINBFKAUSA-N 1 1 460.667 2.912 20 0 JFADMO CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001292315809 1065082776 /nfs/dbraw/zinc/08/27/76/1065082776.db2.gz AMDSLOSPAAMQQD-OFVILXPXSA-N 1 1 454.619 2.658 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001292333172 1065089281 /nfs/dbraw/zinc/08/92/81/1065089281.db2.gz VDVXPXVRRBJOFM-YOSAUDMPSA-N 1 1 496.722 2.748 20 0 JFADMO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413984 1065148395 /nfs/dbraw/zinc/14/83/95/1065148395.db2.gz PNRGOSQXHNTZEJ-RZUBCFFCSA-N 1 1 476.666 2.571 20 0 JFADMO CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292458931 1065183701 /nfs/dbraw/zinc/18/37/01/1065183701.db2.gz SNNQUFUMWLLYNU-SLFFLAALSA-N 1 1 456.635 2.825 20 0 JFADMO CCc1ccc([C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(CC)c2)[NH+](C)C)cc1 ZINC001292459152 1065184332 /nfs/dbraw/zinc/18/43/32/1065184332.db2.gz CBONVTDUUZZTDP-DHIUTWEWSA-N 1 1 499.685 2.898 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC001292462407 1065192203 /nfs/dbraw/zinc/19/22/03/1065192203.db2.gz SERFLUHSRZXTNX-FSSWDIPSSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292471345 1065197681 /nfs/dbraw/zinc/19/76/81/1065197681.db2.gz FEYVLHSRASGFEN-VWLOTQADSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292471345 1065197687 /nfs/dbraw/zinc/19/76/87/1065197687.db2.gz FEYVLHSRASGFEN-VWLOTQADSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N(CC)CCS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292476963 1065200779 /nfs/dbraw/zinc/20/07/79/1065200779.db2.gz RBJDICGJSYPNKJ-LJQANCHMSA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)n2C[C@@H](C)OC)cc1 ZINC001292478172 1065202409 /nfs/dbraw/zinc/20/24/09/1065202409.db2.gz DYCQBKHNABOOSM-YYDVJCTNSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479738 1065203664 /nfs/dbraw/zinc/20/36/64/1065203664.db2.gz TUJZQIJOTOBXCQ-AUSIDOKSSA-N 1 1 468.646 2.657 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479775 1065204198 /nfs/dbraw/zinc/20/41/98/1065204198.db2.gz UOWAIVUEKAEJDE-WMZHIEFXSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](CC)C3)n2C[C@H](COC)OC)cc1 ZINC001292483799 1065205692 /nfs/dbraw/zinc/20/56/92/1065205692.db2.gz DRMIZPOZQUKTJR-WWNPGLIZSA-N 1 1 457.619 2.716 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001292497650 1065217233 /nfs/dbraw/zinc/21/72/33/1065217233.db2.gz HZOVJOHEBRSOIO-UHFFFAOYSA-N 1 1 474.675 2.900 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001292499558 1065219715 /nfs/dbraw/zinc/21/97/15/1065219715.db2.gz WBPVFYBTYNAZSS-UHFFFAOYSA-N 1 1 454.619 2.853 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001292506317 1065223243 /nfs/dbraw/zinc/22/32/43/1065223243.db2.gz CPIOSKVAMMKDIO-UNMCSNQZSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001292506017 1065223341 /nfs/dbraw/zinc/22/33/41/1065223341.db2.gz CPIOSKVAMMKDIO-IRLDBZIGSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001292506020 1065223364 /nfs/dbraw/zinc/22/33/64/1065223364.db2.gz CPIOSKVAMMKDIO-RBBKRZOGSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001292508238 1065226289 /nfs/dbraw/zinc/22/62/89/1065226289.db2.gz YPVUNTIQCQLLCK-REWPJTCUSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)n2CCc2cn[nH]c2)cc1 ZINC001292512415 1065230204 /nfs/dbraw/zinc/23/02/04/1065230204.db2.gz LGRWEAYJPSPMLL-UHFFFAOYSA-N 1 1 478.645 2.854 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)n2CCc2cn[nH]c2)cc1 ZINC001292512415 1065230213 /nfs/dbraw/zinc/23/02/13/1065230213.db2.gz LGRWEAYJPSPMLL-UHFFFAOYSA-N 1 1 478.645 2.854 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292513217 1065232141 /nfs/dbraw/zinc/23/21/41/1065232141.db2.gz AMGQVRKYUZVNKJ-BGYRXZFFSA-N 1 1 483.661 2.857 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCCOC(F)F)cc1 ZINC001292513186 1065232221 /nfs/dbraw/zinc/23/22/21/1065232221.db2.gz ACTNIMJNRSVFIX-FQEVSTJZSA-N 1 1 476.572 2.880 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292513612 1065233567 /nfs/dbraw/zinc/23/35/67/1065233567.db2.gz IPIKKRWKKYHHPL-OYRHEFFESA-N 1 1 498.672 2.690 20 0 JFADMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2)c1 ZINC001292513689 1065233985 /nfs/dbraw/zinc/23/39/85/1065233985.db2.gz AABBLBNOXYBBAK-DHIUTWEWSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292520467 1065245948 /nfs/dbraw/zinc/24/59/48/1065245948.db2.gz KFLXTPCALXDMDU-SQJMNOBHSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520903 1065246846 /nfs/dbraw/zinc/24/68/46/1065246846.db2.gz XIVYDUACSKBNQP-QFIPXVFZSA-N 1 1 484.689 2.900 20 0 JFADMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521210 1065247283 /nfs/dbraw/zinc/24/72/83/1065247283.db2.gz DGUAEBSYJNCUNR-YYWHXJBOSA-N 1 1 458.603 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292524093 1065248797 /nfs/dbraw/zinc/24/87/97/1065248797.db2.gz AMEHTSZTIATVDH-UGKGYDQZSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001292524948 1065250387 /nfs/dbraw/zinc/25/03/87/1065250387.db2.gz AKODPTAMTVXOPU-PKTZIBPZSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292526753 1065252929 /nfs/dbraw/zinc/25/29/29/1065252929.db2.gz ZSCXLOQWMPFKNL-NRFANRHFSA-N 1 1 460.648 2.510 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292526754 1065253384 /nfs/dbraw/zinc/25/33/84/1065253384.db2.gz ZSCXLOQWMPFKNL-OAQYLSRUSA-N 1 1 460.648 2.510 20 0 JFADMO CCc1ccc(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)s1 ZINC001292552227 1065270143 /nfs/dbraw/zinc/27/01/43/1065270143.db2.gz QZVKWRSLOMLNPU-LQWHRVPQSA-N 1 1 463.648 2.831 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292570734 1065282353 /nfs/dbraw/zinc/28/23/53/1065282353.db2.gz RIKQCYZGBSVJJI-FQEVSTJZSA-N 1 1 467.618 2.636 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292589136 1065304711 /nfs/dbraw/zinc/30/47/11/1065304711.db2.gz HYTCXLKWHVCUKJ-QNWVGRARSA-N 1 1 498.672 2.976 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)O ZINC001292589144 1065305411 /nfs/dbraw/zinc/30/54/11/1065305411.db2.gz IBLIHTHEKFFLNC-RTWAWAEBSA-N 1 1 457.619 2.737 20 0 JFADMO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001292591444 1065309084 /nfs/dbraw/zinc/30/90/84/1065309084.db2.gz UOWSNMVNTZYQPS-INIZCTEOSA-N 1 1 454.518 2.873 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC(C)(C)O ZINC001292592238 1065311112 /nfs/dbraw/zinc/31/11/12/1065311112.db2.gz WBEZADJBTPMMFW-FPOVZHCZSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292593527 1065313704 /nfs/dbraw/zinc/31/37/04/1065313704.db2.gz NYFCIFDYSXOADR-BGYRXZFFSA-N 1 1 484.645 2.621 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292597849 1065318063 /nfs/dbraw/zinc/31/80/63/1065318063.db2.gz ZAQCVGBGSIFCMF-UQBPGWFLSA-N 1 1 454.619 2.866 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292603789 1065327216 /nfs/dbraw/zinc/32/72/16/1065327216.db2.gz NWJCEINXJGGJTE-NRFANRHFSA-N 1 1 497.688 2.537 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292606619 1065332561 /nfs/dbraw/zinc/33/25/61/1065332561.db2.gz SBPYDAJRNHPYOL-TZIWHRDSSA-N 1 1 475.659 2.775 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001292614212 1065342545 /nfs/dbraw/zinc/34/25/45/1065342545.db2.gz DWYPIISYVYMAKJ-ICSRJNTNSA-N 1 1 456.591 2.791 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1snnc1C ZINC001292615132 1065347410 /nfs/dbraw/zinc/34/74/10/1065347410.db2.gz NXJPURNVEBZFNU-KRWDZBQOSA-N 1 1 471.631 2.785 20 0 JFADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634349 1065372348 /nfs/dbraw/zinc/37/23/48/1065372348.db2.gz CABBNAXHYCCBMK-OAQYLSRUSA-N 1 1 458.603 2.652 20 0 JFADMO CC(C)CC(=O)Nc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001292660135 1065395355 /nfs/dbraw/zinc/39/53/55/1065395355.db2.gz AQJIEWUKZCBMAF-UHFFFAOYSA-N 1 1 454.546 2.885 20 0 JFADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001292660700 1065397183 /nfs/dbraw/zinc/39/71/83/1065397183.db2.gz MIBHXXGFAPTJGS-UHFFFAOYSA-N 1 1 453.543 2.503 20 0 JFADMO O=C(CNC(=O)C1(Cc2cccc(F)c2)CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292661045 1065397912 /nfs/dbraw/zinc/39/79/12/1065397912.db2.gz PIKJRNJCOUFDSK-UHFFFAOYSA-N 1 1 453.558 2.626 20 0 JFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1)C1CCOCC1 ZINC001292705143 1065461035 /nfs/dbraw/zinc/46/10/35/1065461035.db2.gz AKUAXXHCGBZHOM-UHFFFAOYSA-N 1 1 452.598 2.571 20 0 JFADMO CCc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)no1 ZINC001292721437 1065483680 /nfs/dbraw/zinc/48/36/80/1065483680.db2.gz SFDYCKFQGSGIKL-WOIUINJBSA-N 1 1 489.665 2.932 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001292728517 1065489511 /nfs/dbraw/zinc/48/95/11/1065489511.db2.gz ICDJZDHBCNQKTR-KRWDZBQOSA-N 1 1 456.620 2.891 20 0 JFADMO CCc1nc(CN(C)c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001292732921 1065494722 /nfs/dbraw/zinc/49/47/22/1065494722.db2.gz MFTWCXDNOOBSPC-UHFFFAOYSA-N 1 1 468.675 2.945 20 0 JFADMO CCc1nc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001292732921 1065494728 /nfs/dbraw/zinc/49/47/28/1065494728.db2.gz MFTWCXDNOOBSPC-UHFFFAOYSA-N 1 1 468.675 2.945 20 0 JFADMO CCc1nc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001292732921 1065494730 /nfs/dbraw/zinc/49/47/30/1065494730.db2.gz MFTWCXDNOOBSPC-UHFFFAOYSA-N 1 1 468.675 2.945 20 0 JFADMO CCc1nc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC001292735082 1065496754 /nfs/dbraw/zinc/49/67/54/1065496754.db2.gz YMPVASWWCMLKRF-QHCPKHFHSA-N 1 1 456.616 2.887 20 0 JFADMO CCc1nc(CN2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)cs1 ZINC001292756972 1065513204 /nfs/dbraw/zinc/51/32/04/1065513204.db2.gz VGNSWXXDFAOVMD-UHFFFAOYSA-N 1 1 475.707 2.930 20 0 JFADMO CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)s1 ZINC001292787426 1065549985 /nfs/dbraw/zinc/54/99/85/1065549985.db2.gz SDWVROQLKJJDNQ-SFHVURJKSA-N 1 1 498.657 2.766 20 0 JFADMO CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)s1 ZINC001292787426 1065549993 /nfs/dbraw/zinc/54/99/93/1065549993.db2.gz SDWVROQLKJJDNQ-SFHVURJKSA-N 1 1 498.657 2.766 20 0 JFADMO CCc1nnc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)s1 ZINC001292787025 1065550049 /nfs/dbraw/zinc/55/00/49/1065550049.db2.gz ZFBVJINIZKIYHM-GOSISDBHSA-N 1 1 471.631 2.963 20 0 JFADMO CCc1nnc(Cn2c(COc3ccccc3OC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)s1 ZINC001292797648 1065558245 /nfs/dbraw/zinc/55/82/45/1065558245.db2.gz GMRQYTSCXYERCE-INIZCTEOSA-N 1 1 457.604 2.858 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292813824 1065564703 /nfs/dbraw/zinc/56/47/03/1065564703.db2.gz RDYNBYQQNMDINU-UHFFFAOYSA-N 1 1 463.671 2.702 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292813824 1065564714 /nfs/dbraw/zinc/56/47/14/1065564714.db2.gz RDYNBYQQNMDINU-UHFFFAOYSA-N 1 1 463.671 2.702 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292813824 1065564725 /nfs/dbraw/zinc/56/47/25/1065564725.db2.gz RDYNBYQQNMDINU-UHFFFAOYSA-N 1 1 463.671 2.702 20 0 JFADMO CCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292817722 1065566231 /nfs/dbraw/zinc/56/62/31/1065566231.db2.gz UPIOIWVBSWIWOX-DEOSSOPVSA-N 1 1 472.659 2.740 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001292865174 1065579803 /nfs/dbraw/zinc/57/98/03/1065579803.db2.gz UDTHKYCHUCORGR-UHFFFAOYSA-N 1 1 463.936 2.842 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001292865174 1065579812 /nfs/dbraw/zinc/57/98/12/1065579812.db2.gz UDTHKYCHUCORGR-UHFFFAOYSA-N 1 1 463.936 2.842 20 0 JFADMO Cc1nc(C[NH+]2CCC(CNC(=O)Cc3ccccc3S(=O)(=O)C(F)F)CC2)oc1C ZINC001292881014 1065584598 /nfs/dbraw/zinc/58/45/98/1065584598.db2.gz PMJSJDZTRXPSQS-UHFFFAOYSA-N 1 1 455.527 2.859 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001292892200 1065589272 /nfs/dbraw/zinc/58/92/72/1065589272.db2.gz AIVFPNCKLMPZEW-HYBUGGRVSA-N 1 1 468.646 2.912 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892228 1065589567 /nfs/dbraw/zinc/58/95/67/1065589567.db2.gz BDFUZNJFXMCPNR-GBXCKJPGSA-N 1 1 498.672 2.869 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1cccc(Cl)c1 ZINC001292893209 1065593156 /nfs/dbraw/zinc/59/31/56/1065593156.db2.gz MHBCLJFSMCENDG-UTKZUKDTSA-N 1 1 461.010 2.562 20 0 JFADMO CCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292907485 1065599025 /nfs/dbraw/zinc/59/90/25/1065599025.db2.gz SQGFJBVPIZXAQB-BVSLBCMMSA-N 1 1 454.619 2.750 20 0 JFADMO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001292922262 1065608621 /nfs/dbraw/zinc/60/86/21/1065608621.db2.gz BKHNMUMPLVUWST-YLJYHZDGSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001292922262 1065608627 /nfs/dbraw/zinc/60/86/27/1065608627.db2.gz BKHNMUMPLVUWST-YLJYHZDGSA-N 1 1 494.562 2.614 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3=C(C)N(C)c4ncnn4[C@@H]3C)CC2)c1C ZINC001292932376 1065621712 /nfs/dbraw/zinc/62/17/12/1065621712.db2.gz CNSYZCIKLAVZKB-GOSISDBHSA-N 1 1 453.591 2.706 20 0 JFADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC001292932938 1065622719 /nfs/dbraw/zinc/62/27/19/1065622719.db2.gz IKXWWDYZPGSVLH-KRWDZBQOSA-N 1 1 458.360 2.976 20 0 JFADMO CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943303 1065628439 /nfs/dbraw/zinc/62/84/39/1065628439.db2.gz MPGCNLSNPSHUTG-QFIPXVFZSA-N 1 1 454.619 2.873 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292950379 1065630652 /nfs/dbraw/zinc/63/06/52/1065630652.db2.gz BQRIRXDTLITGCT-JOCHJYFZSA-N 1 1 460.667 2.863 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292950601 1065630724 /nfs/dbraw/zinc/63/07/24/1065630724.db2.gz GABDEEGXOZBYPH-UHFFFAOYSA-N 1 1 459.683 2.533 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292950380 1065630804 /nfs/dbraw/zinc/63/08/04/1065630804.db2.gz BQRIRXDTLITGCT-QFIPXVFZSA-N 1 1 460.667 2.863 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001292951617 1065631322 /nfs/dbraw/zinc/63/13/22/1065631322.db2.gz JZJOMFSAKHJXKO-BWKNWUBXSA-N 1 1 460.667 2.959 20 0 JFADMO CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292952521 1065632811 /nfs/dbraw/zinc/63/28/11/1065632811.db2.gz HYFJSKYCEFTISV-QFIPXVFZSA-N 1 1 462.683 2.670 20 0 JFADMO CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292952521 1065632817 /nfs/dbraw/zinc/63/28/17/1065632817.db2.gz HYFJSKYCEFTISV-QFIPXVFZSA-N 1 1 462.683 2.670 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959485 1065637946 /nfs/dbraw/zinc/63/79/46/1065637946.db2.gz YKHGMIMQALUYJH-LJQANCHMSA-N 1 1 456.660 2.712 20 0 JFADMO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292961614 1065643650 /nfs/dbraw/zinc/64/36/50/1065643650.db2.gz GZMJXXRPEVQPDH-LJQANCHMSA-N 1 1 470.666 2.731 20 0 JFADMO C[NH+](C)CCN1CCC(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001292967432 1065646697 /nfs/dbraw/zinc/64/66/97/1065646697.db2.gz WKCRIRSNVXWNFP-UHFFFAOYSA-N 1 1 452.437 2.887 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968345 1065647311 /nfs/dbraw/zinc/64/73/11/1065647311.db2.gz NZEKYBPECHSBQY-QHCPKHFHSA-N 1 1 453.587 2.722 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968345 1065647316 /nfs/dbraw/zinc/64/73/16/1065647316.db2.gz NZEKYBPECHSBQY-QHCPKHFHSA-N 1 1 453.587 2.722 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968345 1065647322 /nfs/dbraw/zinc/64/73/22/1065647322.db2.gz NZEKYBPECHSBQY-QHCPKHFHSA-N 1 1 453.587 2.722 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC001292968482 1065648239 /nfs/dbraw/zinc/64/82/39/1065648239.db2.gz QLFQNEBNGJHRNZ-UHFFFAOYSA-N 1 1 455.784 2.701 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC001292968482 1065648247 /nfs/dbraw/zinc/64/82/47/1065648247.db2.gz QLFQNEBNGJHRNZ-UHFFFAOYSA-N 1 1 455.784 2.701 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC001292968482 1065648255 /nfs/dbraw/zinc/64/82/55/1065648255.db2.gz QLFQNEBNGJHRNZ-UHFFFAOYSA-N 1 1 455.784 2.701 20 0 JFADMO CCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292971650 1065653879 /nfs/dbraw/zinc/65/38/79/1065653879.db2.gz ZZWVCMWHQCWUFI-OTWHNJEPSA-N 1 1 450.628 2.785 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292978713 1065659765 /nfs/dbraw/zinc/65/97/65/1065659765.db2.gz VWBWHSYERAURRP-UHFFFAOYSA-N 1 1 473.691 2.637 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292979042 1065659853 /nfs/dbraw/zinc/65/98/53/1065659853.db2.gz ZIWHGAVIFUTAJY-JOCHJYFZSA-N 1 1 472.609 2.735 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001292981075 1065665182 /nfs/dbraw/zinc/66/51/82/1065665182.db2.gz CAJRIMNQTONWGF-FCHUYYIVSA-N 1 1 484.645 2.949 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292981890 1065666304 /nfs/dbraw/zinc/66/63/04/1065666304.db2.gz LCJYSXLWWDYHEG-HXUWFJFHSA-N 1 1 484.649 2.551 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292983123 1065666437 /nfs/dbraw/zinc/66/64/37/1065666437.db2.gz SQKPWKUGBKXJKL-UHFFFAOYSA-N 1 1 461.655 2.552 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292983123 1065666452 /nfs/dbraw/zinc/66/64/52/1065666452.db2.gz SQKPWKUGBKXJKL-UHFFFAOYSA-N 1 1 461.655 2.552 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001292984850 1065667919 /nfs/dbraw/zinc/66/79/19/1065667919.db2.gz AYRBZJCVBFEUAC-JXFKEZNVSA-N 1 1 466.677 2.503 20 0 JFADMO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293024217 1065696978 /nfs/dbraw/zinc/69/69/78/1065696978.db2.gz ZSECVNYCBDEUAY-SLFFLAALSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001293030718 1065700916 /nfs/dbraw/zinc/70/09/16/1065700916.db2.gz WZGIGHMOYWHHAA-OFNKIYASSA-N 1 1 488.702 2.785 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031604 1065701466 /nfs/dbraw/zinc/70/14/66/1065701466.db2.gz DHEYZEBDKQLEMZ-FYYLOGMGSA-N 1 1 451.615 2.811 20 0 JFADMO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001293035736 1065704517 /nfs/dbraw/zinc/70/45/17/1065704517.db2.gz BSCHLFHGSUBIRI-JOCHJYFZSA-N 1 1 474.675 2.733 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293062947 1065716413 /nfs/dbraw/zinc/71/64/13/1065716413.db2.gz VLKCMSRPZFJVDL-OYRHEFFESA-N 1 1 454.619 2.692 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001293068080 1065719720 /nfs/dbraw/zinc/71/97/20/1065719720.db2.gz BTSPBLQRZZBNNZ-UHFFFAOYSA-N 1 1 479.000 2.847 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001293068080 1065719730 /nfs/dbraw/zinc/71/97/30/1065719730.db2.gz BTSPBLQRZZBNNZ-UHFFFAOYSA-N 1 1 479.000 2.847 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc(-n2cccn2)cc1 ZINC001293069183 1065722411 /nfs/dbraw/zinc/72/24/11/1065722411.db2.gz TYLXAJKISCSQKB-UHFFFAOYSA-N 1 1 478.645 2.649 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc(-n2cccn2)cc1 ZINC001293069183 1065722422 /nfs/dbraw/zinc/72/24/22/1065722422.db2.gz TYLXAJKISCSQKB-UHFFFAOYSA-N 1 1 478.645 2.649 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293083203 1065733578 /nfs/dbraw/zinc/73/35/78/1065733578.db2.gz KEOAYUPOLZUQFP-IFMALSPDSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001293093514 1065742147 /nfs/dbraw/zinc/74/21/47/1065742147.db2.gz SWKMUROHGHZRSO-UHFFFAOYSA-N 1 1 470.618 2.636 20 0 JFADMO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293109979 1065755384 /nfs/dbraw/zinc/75/53/84/1065755384.db2.gz YTEQOEFJIIWRJN-NRFANRHFSA-N 1 1 483.709 2.663 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001293116291 1065763058 /nfs/dbraw/zinc/76/30/58/1065763058.db2.gz KQOGDYOYDXVPJN-LUKWVAJMSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293118785 1065766283 /nfs/dbraw/zinc/76/62/83/1065766283.db2.gz DTWIEBCNZJEJNL-GOTSBHOMSA-N 1 1 481.689 2.884 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293121005 1065770654 /nfs/dbraw/zinc/77/06/54/1065770654.db2.gz VQXGVSZJGKGDIZ-SMIHKQSGSA-N 1 1 487.737 2.979 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001293123065 1065775381 /nfs/dbraw/zinc/77/53/81/1065775381.db2.gz DBFPRSTVQOOKKR-UHFFFAOYSA-N 1 1 450.591 2.520 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cccc(C(OC)OC)c1 ZINC001293123132 1065775669 /nfs/dbraw/zinc/77/56/69/1065775669.db2.gz GAKKRCHQQPKCPJ-UHFFFAOYSA-N 1 1 467.618 2.853 20 0 JFADMO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001293127245 1065778250 /nfs/dbraw/zinc/77/82/50/1065778250.db2.gz JKQYJXCRIRYRHV-OAQYLSRUSA-N 1 1 475.037 2.700 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130589 1065781678 /nfs/dbraw/zinc/78/16/78/1065781678.db2.gz INFVBFCJPIUAEV-HSZRJFAPSA-N 1 1 458.626 2.762 20 0 JFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1 ZINC001293131139 1065782574 /nfs/dbraw/zinc/78/25/74/1065782574.db2.gz VBXBYZODHYYJJC-UHFFFAOYSA-N 1 1 457.538 2.967 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001293131358 1065783353 /nfs/dbraw/zinc/78/33/53/1065783353.db2.gz OUVHJXNXJBFMGU-DNVJHFABSA-N 1 1 462.683 2.667 20 0 JFADMO CCc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1Cc1ncccc1N(C)C ZINC001293132439 1065784989 /nfs/dbraw/zinc/78/49/89/1065784989.db2.gz XNFSTOIDMSIHNR-UHFFFAOYSA-N 1 1 462.646 2.604 20 0 JFADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001293138791 1065789388 /nfs/dbraw/zinc/78/93/88/1065789388.db2.gz WRUIAXFHMHNSDV-QGZVFWFLSA-N 1 1 456.513 2.772 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccccc1Oc1cccc(F)c1 ZINC001293145785 1065792373 /nfs/dbraw/zinc/79/23/73/1065792373.db2.gz UIWCDMKOTOEMRX-HSZRJFAPSA-N 1 1 455.530 2.948 20 0 JFADMO CCc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCC[NH+]1CCOCC1 ZINC001293151111 1065794122 /nfs/dbraw/zinc/79/41/22/1065794122.db2.gz VGBQARUBAKDEMQ-IBGZPJMESA-N 1 1 464.408 2.903 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293173465 1065801108 /nfs/dbraw/zinc/80/11/08/1065801108.db2.gz LOJFPGVKKIPEKO-KSZLIROESA-N 1 1 450.628 2.832 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CCn1cc[nH+]c1C ZINC001293216071 1065853777 /nfs/dbraw/zinc/85/37/77/1065853777.db2.gz AAKVRVWCWAPAJA-QGZVFWFLSA-N 1 1 458.364 2.628 20 0 JFADMO CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCSCC2)c1 ZINC001293219013 1065864901 /nfs/dbraw/zinc/86/49/01/1065864901.db2.gz HHEXZHVMOJTAKY-UHFFFAOYSA-N 1 1 450.582 2.632 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293220516 1065871275 /nfs/dbraw/zinc/87/12/75/1065871275.db2.gz RTHSZBCEYRDOLH-CRAIPNDOSA-N 1 1 478.439 2.871 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293220518 1065871394 /nfs/dbraw/zinc/87/13/94/1065871394.db2.gz RTHSZBCEYRDOLH-QAPCUYQASA-N 1 1 478.439 2.871 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001293230099 1065886535 /nfs/dbraw/zinc/88/65/35/1065886535.db2.gz YCENKUFDAZJMJE-LJQANCHMSA-N 1 1 470.618 2.799 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293243756 1065907003 /nfs/dbraw/zinc/90/70/03/1065907003.db2.gz BEHZHFDYCCXARM-AABGKKOBSA-N 1 1 489.665 2.797 20 0 JFADMO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293253310 1065917611 /nfs/dbraw/zinc/91/76/11/1065917611.db2.gz LAEAVWKOBTYQKI-GOSISDBHSA-N 1 1 451.409 2.873 20 0 JFADMO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293253310 1065917622 /nfs/dbraw/zinc/91/76/22/1065917622.db2.gz LAEAVWKOBTYQKI-GOSISDBHSA-N 1 1 451.409 2.873 20 0 JFADMO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001293253403 1065917704 /nfs/dbraw/zinc/91/77/04/1065917704.db2.gz UNKGOLFTCAGGSY-KNQAVFIVSA-N 1 1 454.619 2.922 20 0 JFADMO COc1c(N)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(Cl)c1Br ZINC001293254646 1065919034 /nfs/dbraw/zinc/91/90/34/1065919034.db2.gz ROEBTXPQKDRAOJ-CYBMUJFWSA-N 1 1 459.816 2.934 20 0 JFADMO COc1c(N)c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254646 1065919038 /nfs/dbraw/zinc/91/90/38/1065919038.db2.gz ROEBTXPQKDRAOJ-CYBMUJFWSA-N 1 1 459.816 2.934 20 0 JFADMO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293255443 1065919832 /nfs/dbraw/zinc/91/98/32/1065919832.db2.gz UWFVFAXTXVHDCW-LJQANCHMSA-N 1 1 456.978 2.623 20 0 JFADMO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293255443 1065919838 /nfs/dbraw/zinc/91/98/38/1065919838.db2.gz UWFVFAXTXVHDCW-LJQANCHMSA-N 1 1 456.978 2.623 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255470 1065919959 /nfs/dbraw/zinc/91/99/59/1065919959.db2.gz VYRJYCAGWUUTCC-NZSAHSFTSA-N 1 1 458.603 2.539 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255470 1065919966 /nfs/dbraw/zinc/91/99/66/1065919966.db2.gz VYRJYCAGWUUTCC-NZSAHSFTSA-N 1 1 458.603 2.539 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293260701 1065923884 /nfs/dbraw/zinc/92/38/84/1065923884.db2.gz ZQUBBMRYYGAZOK-YSTOQKLRSA-N 1 1 454.685 2.881 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285920 1065933857 /nfs/dbraw/zinc/93/38/57/1065933857.db2.gz WNLUGNNIBITNOO-HNNXBMFYSA-N 1 1 453.328 2.546 20 0 JFADMO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001293287731 1065934259 /nfs/dbraw/zinc/93/42/59/1065934259.db2.gz BIIMCEDJGKGJFN-LZLYRXPVSA-N 1 1 466.677 2.948 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001293357830 1065963037 /nfs/dbraw/zinc/96/30/37/1065963037.db2.gz BEYHRWVTZJEBPK-NHCUHLMSSA-N 1 1 496.660 2.931 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293358440 1065963535 /nfs/dbraw/zinc/96/35/35/1065963535.db2.gz GSENXMQCMJDPRW-IBGZPJMESA-N 1 1 477.654 2.738 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293362529 1065965907 /nfs/dbraw/zinc/96/59/07/1065965907.db2.gz DRXTWSNKXMMLMT-UXHICEINSA-N 1 1 478.663 2.877 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001293362651 1065966382 /nfs/dbraw/zinc/96/63/82/1065966382.db2.gz FTEIIZIMYFXRTI-WBVHZDCISA-N 1 1 478.439 2.967 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001293364184 1065967785 /nfs/dbraw/zinc/96/77/85/1065967785.db2.gz DFPHUGDWTXDZAL-MSOLQXFVSA-N 1 1 456.591 2.538 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001293363826 1065967967 /nfs/dbraw/zinc/96/79/67/1065967967.db2.gz ARVHIHXYZDROST-IBGZPJMESA-N 1 1 496.582 2.838 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001293364434 1065969355 /nfs/dbraw/zinc/96/93/55/1065969355.db2.gz NNDHQBMRBHWVBB-GUDVDZBRSA-N 1 1 464.636 2.740 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293364647 1065969666 /nfs/dbraw/zinc/96/96/66/1065969666.db2.gz GQXNNRQMHXPTPT-RTBURBONSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293366564 1065971599 /nfs/dbraw/zinc/97/15/99/1065971599.db2.gz WADJQSHEYDCCJT-OAQYLSRUSA-N 1 1 456.639 2.638 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001293369512 1065972958 /nfs/dbraw/zinc/97/29/58/1065972958.db2.gz HJJBNNMJZBJUGC-GGHGKWSUSA-N 1 1 472.659 2.868 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001293371577 1065974365 /nfs/dbraw/zinc/97/43/65/1065974365.db2.gz NFGFFOBSZFNPFJ-OALUTQOASA-N 1 1 454.685 2.601 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373778 1065977864 /nfs/dbraw/zinc/97/78/64/1065977864.db2.gz RKANLRRARAQROT-MSOLQXFVSA-N 1 1 471.572 2.568 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293373573 1065977889 /nfs/dbraw/zinc/97/78/89/1065977889.db2.gz QDHVFAFUNVMAIC-LEWJYISDSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373780 1065978013 /nfs/dbraw/zinc/97/80/13/1065978013.db2.gz RKANLRRARAQROT-QZTJIDSGSA-N 1 1 471.572 2.568 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373792 1065978755 /nfs/dbraw/zinc/97/87/55/1065978755.db2.gz RYZPUQWSUZGVJH-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001293373878 1065979368 /nfs/dbraw/zinc/97/93/68/1065979368.db2.gz SMSBBOBSOUTUOC-RCCFBDPRSA-N 1 1 471.572 2.567 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O ZINC001293376580 1065981507 /nfs/dbraw/zinc/98/15/07/1065981507.db2.gz CVHCCLPDTGFHEJ-DJIMGWMZSA-N 1 1 486.593 2.673 20 0 JFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@@H](C)C1 ZINC001293377335 1065981853 /nfs/dbraw/zinc/98/18/53/1065981853.db2.gz SVDPFKWMSVEHKS-FUHWJXTLSA-N 1 1 459.591 2.507 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293378784 1065982851 /nfs/dbraw/zinc/98/28/51/1065982851.db2.gz LUDRTQYDLIFUCY-KJJMTIBFSA-N 1 1 497.706 2.670 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293380071 1065985090 /nfs/dbraw/zinc/98/50/90/1065985090.db2.gz VRTRJCCBYSEUJJ-RQTOMXEWSA-N 1 1 476.666 2.688 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001293388087 1065989007 /nfs/dbraw/zinc/98/90/07/1065989007.db2.gz YJJRSQNCKZNVPB-IAGOWNOFSA-N 1 1 466.677 2.635 20 0 JFADMO CC[C@@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)CCOC ZINC001293415800 1066000087 /nfs/dbraw/zinc/00/00/87/1066000087.db2.gz LDBFTELOGYBCTQ-GOSISDBHSA-N 1 1 463.652 2.504 20 0 JFADMO CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCN2CC[NH+](CC)CC2)CC1 ZINC001293447670 1066009689 /nfs/dbraw/zinc/00/96/89/1066009689.db2.gz AQTWJKKQEKOMIA-UHFFFAOYSA-N 1 1 468.650 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC001293506657 1066030416 /nfs/dbraw/zinc/03/04/16/1066030416.db2.gz DVGZODKNGAIAEG-GOSISDBHSA-N 1 1 498.550 2.910 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC001293506658 1066030707 /nfs/dbraw/zinc/03/07/07/1066030707.db2.gz DVGZODKNGAIAEG-SFHVURJKSA-N 1 1 498.550 2.910 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293507754 1066031854 /nfs/dbraw/zinc/03/18/54/1066031854.db2.gz JJFMXMHJSDGBTM-XLIONFOSSA-N 1 1 491.036 2.674 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC[N@H+]1CCOC ZINC001293508001 1066032398 /nfs/dbraw/zinc/03/23/98/1066032398.db2.gz UVSDAEHPNAOREO-SFHVURJKSA-N 1 1 490.649 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCS1 ZINC001293508848 1066033186 /nfs/dbraw/zinc/03/31/86/1066033186.db2.gz FTBMBZGQJSBAIJ-WOJBJXKFSA-N 1 1 486.690 2.531 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293509627 1066033999 /nfs/dbraw/zinc/03/39/99/1066033999.db2.gz NAHROZYFCWJPRM-MQSCRBSSSA-N 1 1 484.645 2.739 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001293509733 1066034359 /nfs/dbraw/zinc/03/43/59/1066034359.db2.gz JFBWMWWCBSTHIT-QFIPXVFZSA-N 1 1 470.618 2.875 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293509633 1066034423 /nfs/dbraw/zinc/03/44/23/1066034423.db2.gz NAHROZYFCWJPRM-XPNTWCBSSA-N 1 1 484.645 2.739 20 0 JFADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001293510884 1066036818 /nfs/dbraw/zinc/03/68/18/1066036818.db2.gz UMLUGJVPNSCHEI-YADHBBJMSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC001293511366 1066037525 /nfs/dbraw/zinc/03/75/25/1066037525.db2.gz VUNBYIHAQXBXNV-UGKGYDQZSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC2Cc3ccccc3C2)CC[N@H+]1CCOC ZINC001293512044 1066038480 /nfs/dbraw/zinc/03/84/80/1066038480.db2.gz ZDJGARYUCWRCPO-QHCPKHFHSA-N 1 1 468.646 2.768 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293517019 1066040341 /nfs/dbraw/zinc/04/03/41/1066040341.db2.gz GXQMIZDSCZSIEJ-XMMPIXPASA-N 1 1 470.662 2.829 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524099 1066045462 /nfs/dbraw/zinc/04/54/62/1066045462.db2.gz KXZWMWLPFAHUQN-HSALFYBXSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CCN1CCOC ZINC001293530367 1066049381 /nfs/dbraw/zinc/04/93/81/1066049381.db2.gz OUSVLYHYCNLWJA-FYYLOGMGSA-N 1 1 456.635 2.979 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293530047 1066049475 /nfs/dbraw/zinc/04/94/75/1066049475.db2.gz CNFLGUVNSWKAOK-OUMCCJGNSA-N 1 1 479.666 2.681 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001293531128 1066051059 /nfs/dbraw/zinc/05/10/59/1066051059.db2.gz KQSQIUXPXWCHOR-YKSBVNFPSA-N 1 1 480.723 2.677 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CCN1CCOC ZINC001293538956 1066057046 /nfs/dbraw/zinc/05/70/46/1066057046.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CCN1CCOC ZINC001293538956 1066057057 /nfs/dbraw/zinc/05/70/57/1066057057.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C[C@H](C)O1 ZINC001293540123 1066059192 /nfs/dbraw/zinc/05/91/92/1066059192.db2.gz LXEXICBVLCOJCF-RZUBCFFCSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001293548877 1066064829 /nfs/dbraw/zinc/06/48/29/1066064829.db2.gz BIQGXYHJANTSPQ-UTKZUKDTSA-N 1 1 464.408 2.698 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293549273 1066065192 /nfs/dbraw/zinc/06/51/92/1066065192.db2.gz JKWDBKXVJXXKLV-FXAWDEMLSA-N 1 1 475.037 2.918 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293552403 1066067644 /nfs/dbraw/zinc/06/76/44/1066067644.db2.gz NTPXMJBHLDDZMZ-QZTJIDSGSA-N 1 1 467.973 2.700 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293555039 1066069398 /nfs/dbraw/zinc/06/93/98/1066069398.db2.gz BRVXEJDMNDKOLH-GHTZIAJQSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293556427 1066070542 /nfs/dbraw/zinc/07/05/42/1066070542.db2.gz IYHZIDMGPVIALY-NRFANRHFSA-N 1 1 479.629 2.909 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293556428 1066070597 /nfs/dbraw/zinc/07/05/97/1066070597.db2.gz IYHZIDMGPVIALY-OAQYLSRUSA-N 1 1 479.629 2.909 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293556358 1066070772 /nfs/dbraw/zinc/07/07/72/1066070772.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 1 1 486.661 2.612 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293558775 1066072360 /nfs/dbraw/zinc/07/23/60/1066072360.db2.gz SFQKCSQJBBHVEO-PZJWPPBQSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293559479 1066073829 /nfs/dbraw/zinc/07/38/29/1066073829.db2.gz YJGQLCIFNBLKEB-HKUYNNGSSA-N 1 1 495.571 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001293566138 1066078678 /nfs/dbraw/zinc/07/86/78/1066078678.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293566138 1066078689 /nfs/dbraw/zinc/07/86/89/1066078689.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001293566139 1066078782 /nfs/dbraw/zinc/07/87/82/1066078782.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293566139 1066078793 /nfs/dbraw/zinc/07/87/93/1066078793.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293566383 1066079422 /nfs/dbraw/zinc/07/94/22/1066079422.db2.gz SMESORLMUSGIBE-XLIONFOSSA-N 1 1 461.010 2.624 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001293566755 1066080193 /nfs/dbraw/zinc/08/01/93/1066080193.db2.gz WNDRZKRAABQMNT-HXUWFJFHSA-N 1 1 474.625 2.742 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CCN1CCOC ZINC001293569138 1066081607 /nfs/dbraw/zinc/08/16/07/1066081607.db2.gz UPSBIAIPHKKATH-FQEVSTJZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2OC)CC[N@H+]1CCOC ZINC001293569152 1066081827 /nfs/dbraw/zinc/08/18/27/1066081827.db2.gz UYKJGJMAOMUBNP-FQEVSTJZSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293570588 1066082665 /nfs/dbraw/zinc/08/26/65/1066082665.db2.gz GZPGJDCNMYCNNT-BWKNWUBXSA-N 1 1 470.593 2.877 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC[N@H+]1CCOC ZINC001293571071 1066082964 /nfs/dbraw/zinc/08/29/64/1066082964.db2.gz JPCWJSQUSKJRSD-LJQANCHMSA-N 1 1 473.528 2.932 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293574155 1066085162 /nfs/dbraw/zinc/08/51/62/1066085162.db2.gz ZTESGBIOAJTSSA-MSOLQXFVSA-N 1 1 450.678 2.679 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(C)O)c2)CC[N@H+]1CCOC ZINC001293577715 1066088003 /nfs/dbraw/zinc/08/80/03/1066088003.db2.gz WWADXWIBZNPAKQ-NRFANRHFSA-N 1 1 465.602 2.558 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001293578712 1066089303 /nfs/dbraw/zinc/08/93/03/1066089303.db2.gz LQZBAWMRKTWDGW-HXUWFJFHSA-N 1 1 451.575 2.533 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001293578711 1066089390 /nfs/dbraw/zinc/08/93/90/1066089390.db2.gz LQZBAWMRKTWDGW-FQEVSTJZSA-N 1 1 451.575 2.533 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293593100 1066098996 /nfs/dbraw/zinc/09/89/96/1066098996.db2.gz DBUKHIFELVODLG-NCXUSEDFSA-N 1 1 475.556 2.687 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293595223 1066103675 /nfs/dbraw/zinc/10/36/75/1066103675.db2.gz NSWAQLZRIHUANU-YYDVJCTNSA-N 1 1 463.648 2.688 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293598962 1066112714 /nfs/dbraw/zinc/11/27/14/1066112714.db2.gz YKHSUCAFUWNRNP-HSALFYBXSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293599111 1066113756 /nfs/dbraw/zinc/11/37/56/1066113756.db2.gz AZALCWSYUFSKJS-RBUKOAKNSA-N 1 1 464.655 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC001293599666 1066114120 /nfs/dbraw/zinc/11/41/20/1066114120.db2.gz NOGHQMDWQZFHJU-XRXFAXGQSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC[N@H+]1CCOC ZINC001293601641 1066118093 /nfs/dbraw/zinc/11/80/93/1066118093.db2.gz UWWDSEKVBRLVRS-IBGZPJMESA-N 1 1 494.681 2.707 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC[N@H+]1CCOC ZINC001293602511 1066118981 /nfs/dbraw/zinc/11/89/81/1066118981.db2.gz XNPUWQCUJKXBAN-NQIIRXRSSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293606724 1066121903 /nfs/dbraw/zinc/12/19/03/1066121903.db2.gz GKFZCGKQDYWHGM-RTWAWAEBSA-N 1 1 476.666 2.891 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001293608043 1066123838 /nfs/dbraw/zinc/12/38/38/1066123838.db2.gz LJYFEWTWUGUIHY-DHIUTWEWSA-N 1 1 468.646 2.730 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293610717 1066126581 /nfs/dbraw/zinc/12/65/81/1066126581.db2.gz FTCASHQBMGHFBD-QFIPXVFZSA-N 1 1 488.652 2.666 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(CC)c2)CC[N@H+]1CCOC ZINC001293611551 1066127015 /nfs/dbraw/zinc/12/70/15/1066127015.db2.gz GMQUJWGECJCJMG-QFIPXVFZSA-N 1 1 455.582 2.820 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293612261 1066128131 /nfs/dbraw/zinc/12/81/31/1066128131.db2.gz LEWDBZRGNIOQAT-IRLDBZIGSA-N 1 1 456.635 2.874 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293616770 1066133240 /nfs/dbraw/zinc/13/32/40/1066133240.db2.gz NTIAITHWENQBOE-ZEQKJWHPSA-N 1 1 464.614 2.719 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001293619384 1066135888 /nfs/dbraw/zinc/13/58/88/1066135888.db2.gz BPZSKZWMRWLASF-OAQYLSRUSA-N 1 1 498.657 2.720 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293623209 1066139500 /nfs/dbraw/zinc/13/95/00/1066139500.db2.gz NZVKCMOKQPJYMT-RBUKOAKNSA-N 1 1 498.619 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293625330 1066140564 /nfs/dbraw/zinc/14/05/64/1066140564.db2.gz DRGRVLRXZIGFDO-DHIUTWEWSA-N 1 1 460.667 2.816 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293625332 1066140653 /nfs/dbraw/zinc/14/06/53/1066140653.db2.gz DRGRVLRXZIGFDO-PKTZIBPZSA-N 1 1 460.667 2.816 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[S@](=O)CC)CCS1 ZINC001293628441 1066142602 /nfs/dbraw/zinc/14/26/02/1066142602.db2.gz IBUSQJHICQWSGV-DHYKOVJISA-N 1 1 490.743 2.743 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(N(C)C)c2)CC[N@H+]1CCOC ZINC001293635824 1066152861 /nfs/dbraw/zinc/15/28/61/1066152861.db2.gz PXFUNZUSKIJQEK-QHCPKHFHSA-N 1 1 480.661 2.801 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293636299 1066153354 /nfs/dbraw/zinc/15/33/54/1066153354.db2.gz SSLGHFUAFYINOH-AQNXPRMDSA-N 1 1 490.674 2.630 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293636188 1066153362 /nfs/dbraw/zinc/15/33/62/1066153362.db2.gz AIKXPBKDRUHTEG-BKMJKUGQSA-N 1 1 487.645 2.826 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293636190 1066153405 /nfs/dbraw/zinc/15/34/05/1066153405.db2.gz AIKXPBKDRUHTEG-NVQXNPDNSA-N 1 1 487.645 2.826 20 0 JFADMO CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293636743 1066154580 /nfs/dbraw/zinc/15/45/80/1066154580.db2.gz WDOHEHTWXNFMTO-RBUKOAKNSA-N 1 1 492.715 2.958 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001293645684 1066161317 /nfs/dbraw/zinc/16/13/17/1066161317.db2.gz XROHBVUXCTVCNA-SFTDATJTSA-N 1 1 473.618 2.838 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293650733 1066163448 /nfs/dbraw/zinc/16/34/48/1066163448.db2.gz TUPXLJCUYOENNF-SVFBPWRDSA-N 1 1 461.582 2.968 20 0 JFADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001293651187 1066163643 /nfs/dbraw/zinc/16/36/43/1066163643.db2.gz NPSMTDXJRMCCOG-QZTJIDSGSA-N 1 1 459.450 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293652517 1066164642 /nfs/dbraw/zinc/16/46/42/1066164642.db2.gz PQDAIKBNYDKJSJ-CUDBPUKSSA-N 1 1 490.693 2.658 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293652884 1066165223 /nfs/dbraw/zinc/16/52/23/1066165223.db2.gz YXQPDLWDIFXOLX-JLRUASKGSA-N 1 1 457.619 2.874 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293653530 1066166151 /nfs/dbraw/zinc/16/61/51/1066166151.db2.gz PJPXPVPEDXWNGL-XKRYSZRTSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001293653941 1066166738 /nfs/dbraw/zinc/16/67/38/1066166738.db2.gz REGGCDGUFJMOCD-IAGOWNOFSA-N 1 1 483.539 2.728 20 0 JFADMO CC/C=C\Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293714513 1066180358 /nfs/dbraw/zinc/18/03/58/1066180358.db2.gz KPZRVXKVRUEEQO-DYRFGFBLSA-N 1 1 473.691 2.831 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(CC)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001293736093 1066195007 /nfs/dbraw/zinc/19/50/07/1066195007.db2.gz KIGVYYTWUUMNCS-WMZHIEFXSA-N 1 1 481.645 2.616 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(CC)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001293736092 1066195055 /nfs/dbraw/zinc/19/50/55/1066195055.db2.gz KIGVYYTWUUMNCS-CVDCTZTESA-N 1 1 481.645 2.616 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293741017 1066204676 /nfs/dbraw/zinc/20/46/76/1066204676.db2.gz BVBIQQUAVUHJSK-MJGOQNOKSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293741017 1066204689 /nfs/dbraw/zinc/20/46/89/1066204689.db2.gz BVBIQQUAVUHJSK-MJGOQNOKSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293741022 1066204814 /nfs/dbraw/zinc/20/48/14/1066204814.db2.gz BVBIQQUAVUHJSK-PKOBYXMFSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293741022 1066204826 /nfs/dbraw/zinc/20/48/26/1066204826.db2.gz BVBIQQUAVUHJSK-PKOBYXMFSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293743715 1066211147 /nfs/dbraw/zinc/21/11/47/1066211147.db2.gz UCXXFZVNAGQRKL-HXOBKFHXSA-N 1 1 461.010 2.550 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001293744107 1066212702 /nfs/dbraw/zinc/21/27/02/1066212702.db2.gz VXTWBDOUHLKNED-YADHBBJMSA-N 1 1 497.688 2.865 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001293748829 1066220374 /nfs/dbraw/zinc/22/03/74/1066220374.db2.gz AERIHQAVURMFGW-VXKWHMMOSA-N 1 1 481.645 2.614 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293756383 1066236339 /nfs/dbraw/zinc/23/63/39/1066236339.db2.gz RBWRARQYFVFAER-BDTNDASRSA-N 1 1 487.693 2.654 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001293757695 1066238758 /nfs/dbraw/zinc/23/87/58/1066238758.db2.gz YLKDVYCHUCUUGU-LEWJYISDSA-N 1 1 473.666 2.550 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293784089 1066282052 /nfs/dbraw/zinc/28/20/52/1066282052.db2.gz HSHPVPPMAFZRMG-RBUKOAKNSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293784089 1066282068 /nfs/dbraw/zinc/28/20/68/1066282068.db2.gz HSHPVPPMAFZRMG-RBUKOAKNSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293785254 1066283885 /nfs/dbraw/zinc/28/38/85/1066283885.db2.gz MMXGROMBVLVSOU-BXKMTCNYSA-N 1 1 493.027 2.937 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293786090 1066287232 /nfs/dbraw/zinc/28/72/32/1066287232.db2.gz DVFBUCRAEFTXDR-YADHBBJMSA-N 1 1 483.661 2.830 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001293795369 1066303180 /nfs/dbraw/zinc/30/31/80/1066303180.db2.gz UGDMCEUHZMPWDN-PKTZIBPZSA-N 1 1 468.646 2.874 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001293795369 1066303192 /nfs/dbraw/zinc/30/31/92/1066303192.db2.gz UGDMCEUHZMPWDN-PKTZIBPZSA-N 1 1 468.646 2.874 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293799977 1066310962 /nfs/dbraw/zinc/31/09/62/1066310962.db2.gz BZZAZUFVEZVVLJ-KKSFZXQISA-N 1 1 481.439 2.745 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293822514 1066330650 /nfs/dbraw/zinc/33/06/50/1066330650.db2.gz VALQIDBXOKXZLE-CZZAQMAHSA-N 1 1 483.661 2.579 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001293832808 1066335983 /nfs/dbraw/zinc/33/59/83/1066335983.db2.gz AHHKNCFDCBSKAV-DNQXCXABSA-N 1 1 461.582 2.848 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293833690 1066337875 /nfs/dbraw/zinc/33/78/75/1066337875.db2.gz GBTJCNPCTIKDIC-NLFFAJNJSA-N 1 1 474.625 2.764 20 0 JFADMO CCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293834278 1066339204 /nfs/dbraw/zinc/33/92/04/1066339204.db2.gz HMWNOFRIOVHSKD-VWLOTQADSA-N 1 1 460.667 2.552 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293835503 1066339895 /nfs/dbraw/zinc/33/98/95/1066339895.db2.gz KXAOJVILEAJDPY-CUNXSJBXSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293837286 1066342265 /nfs/dbraw/zinc/34/22/65/1066342265.db2.gz SIWOAQYMDWQZQJ-YIXXDRMTSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001293856972 1066364226 /nfs/dbraw/zinc/36/42/26/1066364226.db2.gz OZSFQGMZLCZGGP-NHCUHLMSSA-N 1 1 478.645 2.942 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001293870130 1066382182 /nfs/dbraw/zinc/38/21/82/1066382182.db2.gz SAGZCJLHHSQLMA-NRFANRHFSA-N 1 1 480.661 2.990 20 0 JFADMO COc1cc(CCc2cc(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)n[nH]2)cc(OC)c1 ZINC001293885837 1066389618 /nfs/dbraw/zinc/38/96/18/1066389618.db2.gz BDHYLTCTKVMTOZ-UHFFFAOYSA-N 1 1 450.543 2.611 20 0 JFADMO COc1cc(CCc2cc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886535 1066389728 /nfs/dbraw/zinc/38/97/28/1066389728.db2.gz IPGNQGXLCRHNJZ-RUZDIDTESA-N 1 1 450.539 2.788 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001293890220 1066392041 /nfs/dbraw/zinc/39/20/41/1066392041.db2.gz XSFAEIDJYBOSDR-TUFLPTIASA-N 1 1 484.711 2.604 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293910978 1066397283 /nfs/dbraw/zinc/39/72/83/1066397283.db2.gz REEYOCGAWIFHOY-MOPGFXCFSA-N 1 1 467.618 2.785 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001293930573 1066409369 /nfs/dbraw/zinc/40/93/69/1066409369.db2.gz CTFXRFYFLALXSC-PWRODBHTSA-N 1 1 475.682 2.812 20 0 JFADMO C[C@@H](CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[NH+]1CCOCC1 ZINC001293932181 1066412148 /nfs/dbraw/zinc/41/21/48/1066412148.db2.gz GUVHRQARKIWKIX-AWEZNQCLSA-N 1 1 450.630 2.593 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293934461 1066415076 /nfs/dbraw/zinc/41/50/76/1066415076.db2.gz XZXYBCORMBPTIB-LEWJYISDSA-N 1 1 487.693 2.910 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293935956 1066417875 /nfs/dbraw/zinc/41/78/75/1066417875.db2.gz GQDUNJWLAZQKPR-NHCUHLMSSA-N 1 1 483.661 2.972 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001293939092 1066423528 /nfs/dbraw/zinc/42/35/28/1066423528.db2.gz UMBBZTIMXIVANN-QKNQBKEWSA-N 1 1 456.639 2.684 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293996742 1066498806 /nfs/dbraw/zinc/49/88/06/1066498806.db2.gz LPUGBWJWFHRYEV-SFHVURJKSA-N 1 1 472.700 2.530 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294007724 1066506982 /nfs/dbraw/zinc/50/69/82/1066506982.db2.gz XQBFTYRHLTVWDB-ZJSXRUAMSA-N 1 1 497.688 2.584 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294012923 1066508466 /nfs/dbraw/zinc/50/84/66/1066508466.db2.gz PARDAIFTLWDGST-OAQYLSRUSA-N 1 1 459.639 2.907 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294014155 1066508802 /nfs/dbraw/zinc/50/88/02/1066508802.db2.gz ZATMEIJLDFIVFM-LJQANCHMSA-N 1 1 461.582 2.848 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294014155 1066508817 /nfs/dbraw/zinc/50/88/17/1066508817.db2.gz ZATMEIJLDFIVFM-LJQANCHMSA-N 1 1 461.582 2.848 20 0 JFADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC001294015756 1066509645 /nfs/dbraw/zinc/50/96/45/1066509645.db2.gz JHWCDIFVFKUYCB-QGZVFWFLSA-N 1 1 466.677 2.852 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC[N@H+]1CCOC ZINC001294058528 1066531309 /nfs/dbraw/zinc/53/13/09/1066531309.db2.gz RGFSVZZVVLWGHR-OALUTQOASA-N 1 1 476.588 2.602 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC[N@H+]1CCOC ZINC001294068729 1066539133 /nfs/dbraw/zinc/53/91/33/1066539133.db2.gz XDWJHOKOPVUWDG-OALUTQOASA-N 1 1 490.052 2.845 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294069464 1066539998 /nfs/dbraw/zinc/53/99/98/1066539998.db2.gz QEMBDJWWTDGSSE-FQEVSTJZSA-N 1 1 459.591 2.690 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294074360 1066543388 /nfs/dbraw/zinc/54/33/88/1066543388.db2.gz RMEKSDJIEPGPKT-YADARESESA-N 1 1 475.659 2.759 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294074583 1066543827 /nfs/dbraw/zinc/54/38/27/1066543827.db2.gz TZDFAYXOLVONJK-YADARESESA-N 1 1 461.582 2.827 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001294075078 1066544079 /nfs/dbraw/zinc/54/40/79/1066544079.db2.gz XPLYVLVZQGGGRO-OAQYLSRUSA-N 1 1 480.617 2.760 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001294075288 1066544198 /nfs/dbraw/zinc/54/41/98/1066544198.db2.gz ZUHYQYFOXYRJJM-LJQANCHMSA-N 1 1 461.010 2.768 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CC[N@H+]1CCOC ZINC001294075807 1066544965 /nfs/dbraw/zinc/54/49/65/1066544965.db2.gz CFVLMVBRGKKGRJ-GOSISDBHSA-N 1 1 456.982 2.769 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC[N@H+]1CCOC ZINC001294076296 1066544989 /nfs/dbraw/zinc/54/49/89/1066544989.db2.gz HLZQSBHAHIPJGR-QFIPXVFZSA-N 1 1 494.644 2.871 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CC[N@H+]1CCOC ZINC001294075808 1066545038 /nfs/dbraw/zinc/54/50/38/1066545038.db2.gz CFVLMVBRGKKGRJ-SFHVURJKSA-N 1 1 456.982 2.769 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294081713 1066549597 /nfs/dbraw/zinc/54/95/97/1066549597.db2.gz NWFCOAAAQMTROY-ZWKOTPCHSA-N 1 1 497.566 2.771 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294082431 1066551514 /nfs/dbraw/zinc/55/15/14/1066551514.db2.gz REKFVFBIBVNCHH-PZJWPPBQSA-N 1 1 458.607 2.561 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294082429 1066551565 /nfs/dbraw/zinc/55/15/65/1066551565.db2.gz REKFVFBIBVNCHH-CTNGQTDRSA-N 1 1 458.607 2.561 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@H+]1CCOC ZINC001294082601 1066551820 /nfs/dbraw/zinc/55/18/20/1066551820.db2.gz MDXWMIUJKILHKV-JKSUJKDBSA-N 1 1 460.545 2.755 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001294082977 1066552353 /nfs/dbraw/zinc/55/23/53/1066552353.db2.gz UJKMTNSUXJNHKD-YCRNBWNJSA-N 1 1 463.648 2.688 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001294085533 1066555920 /nfs/dbraw/zinc/55/59/20/1066555920.db2.gz UAKBWGWVGNCKLH-PKOBYXMFSA-N 1 1 494.562 2.826 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001294089435 1066560568 /nfs/dbraw/zinc/56/05/68/1066560568.db2.gz AKDZBOUBLDQNHW-NRFANRHFSA-N 1 1 457.619 2.994 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092057 1066563045 /nfs/dbraw/zinc/56/30/45/1066563045.db2.gz SVSBUKKJVBJAPL-JTHBVZDNSA-N 1 1 486.636 2.956 20 0 JFADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC4)COCC(=O)N5)c32)C1 ZINC001164423099 718935359 /nfs/dbraw/zinc/93/53/59/718935359.db2.gz DISAYLWCZURYLD-INIZCTEOSA-N 1 1 455.628 2.897 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629586 719090115 /nfs/dbraw/zinc/09/01/15/719090115.db2.gz SRYDUWCHXBYGCW-UNMCSNQZSA-N 1 1 451.571 2.591 20 0 JFADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635948 719144017 /nfs/dbraw/zinc/14/40/17/719144017.db2.gz XSEVHCNBKTZTAN-KCWPFWIISA-N 1 1 461.610 2.587 20 0 JFADMO Cc1cc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc(Cl)n1 ZINC001164665986 719357035 /nfs/dbraw/zinc/35/70/35/719357035.db2.gz ZOJRIPFKIWUZKG-FQEVSTJZSA-N 1 1 467.952 2.963 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cc4N)C3)C2)cc[nH+]1 ZINC001164665397 719357282 /nfs/dbraw/zinc/35/72/82/719357282.db2.gz WGGUVHSKXVVTBI-FQEVSTJZSA-N 1 1 467.952 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)c(N)c4)C3)C2)cc[nH+]1 ZINC001164662832 719357480 /nfs/dbraw/zinc/35/74/80/719357480.db2.gz ABCKBJPSKYSBGT-FQEVSTJZSA-N 1 1 467.952 2.842 20 0 JFADMO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)C2)n1 ZINC001164664912 719357850 /nfs/dbraw/zinc/35/78/50/719357850.db2.gz SAWSQMFSOOVWPH-AREMUKBSSA-N 1 1 481.645 2.534 20 0 JFADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671659 719443817 /nfs/dbraw/zinc/44/38/17/719443817.db2.gz QOEWDKRKLZNRDB-DLBZAZTESA-N 1 1 459.616 2.682 20 0 JFADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164671662 719444395 /nfs/dbraw/zinc/44/43/95/719444395.db2.gz QOEWDKRKLZNRDB-IAGOWNOFSA-N 1 1 459.616 2.682 20 0 JFADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164677446 719550550 /nfs/dbraw/zinc/55/05/50/719550550.db2.gz NCQVQXKRSBWIRF-QFIPXVFZSA-N 1 1 450.583 2.530 20 0 JFADMO CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164690759 719758210 /nfs/dbraw/zinc/75/82/10/719758210.db2.gz HWALRVSJASPWOF-UHFFFAOYSA-N 1 1 453.965 2.837 20 0 JFADMO CN1CC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)COc2ccccc2S1(=O)=O ZINC001164691355 719779197 /nfs/dbraw/zinc/77/91/97/719779197.db2.gz NQCKJFHOCJSXNZ-UHFFFAOYSA-N 1 1 456.612 2.976 20 0 JFADMO O=S(=O)(c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1)N1CCCC1 ZINC001164707756 719900774 /nfs/dbraw/zinc/90/07/74/719900774.db2.gz XMYYKUNHWRLVFA-UHFFFAOYSA-N 1 1 462.641 2.799 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810354 720086309 /nfs/dbraw/zinc/08/63/09/720086309.db2.gz LDRLYLXQZUBLSH-LAUBAEHRSA-N 1 1 471.980 2.696 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814784 720095012 /nfs/dbraw/zinc/09/50/12/720095012.db2.gz WPPWSJBCLMTLRL-NLFFAJNJSA-N 1 1 481.622 2.853 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164712953 720098222 /nfs/dbraw/zinc/09/82/22/720098222.db2.gz ZBQICPYBFSADJU-DEOSSOPVSA-N 1 1 451.615 2.816 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164711252 720135940 /nfs/dbraw/zinc/13/59/40/720135940.db2.gz GKZSBGBERIHQGC-GOSISDBHSA-N 1 1 458.994 2.861 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164711254 720136878 /nfs/dbraw/zinc/13/68/78/720136878.db2.gz GKZSBGBERIHQGC-SFHVURJKSA-N 1 1 458.994 2.861 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164712249 720138246 /nfs/dbraw/zinc/13/82/46/720138246.db2.gz LSVPLTRHENBXLN-HXUWFJFHSA-N 1 1 464.570 2.657 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164713099 720150071 /nfs/dbraw/zinc/15/00/71/720150071.db2.gz QVOMSVDZLXYISC-NRFANRHFSA-N 1 1 454.644 2.932 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815944 720158106 /nfs/dbraw/zinc/15/81/06/720158106.db2.gz IZKLKEWVGZPRNX-SQJMNOBHSA-N 1 1 481.622 2.853 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164815570 720174243 /nfs/dbraw/zinc/17/42/43/720174243.db2.gz IIHMWHLWWNVFMC-CVDCTZTESA-N 1 1 450.649 2.733 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813263 720204789 /nfs/dbraw/zinc/20/47/89/720204789.db2.gz NXEZKSXZYXSWGA-APWZRJJASA-N 1 1 463.978 2.868 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)NCc1ccccc1)CCC2 ZINC001164813997 720212281 /nfs/dbraw/zinc/21/22/81/720212281.db2.gz RORZHUKHMAWNHL-UHFFFAOYSA-N 1 1 460.582 2.819 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CCC2 ZINC001164812096 720221857 /nfs/dbraw/zinc/22/18/57/720221857.db2.gz DGXVICUOIAUYDW-IBGZPJMESA-N 1 1 487.008 2.986 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CCC2 ZINC001164814032 720236466 /nfs/dbraw/zinc/23/64/66/720236466.db2.gz TZSSDTGEXYNWQO-LJQANCHMSA-N 1 1 452.603 2.761 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CCC2 ZINC001164814027 720237564 /nfs/dbraw/zinc/23/75/64/720237564.db2.gz TZSSDTGEXYNWQO-IBGZPJMESA-N 1 1 452.603 2.761 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164722898 720281512 /nfs/dbraw/zinc/28/15/12/720281512.db2.gz TXBXTHGETCPXTQ-HHHXNRCGSA-N 1 1 459.594 2.885 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164722898 720281522 /nfs/dbraw/zinc/28/15/22/720281522.db2.gz TXBXTHGETCPXTQ-HHHXNRCGSA-N 1 1 459.594 2.885 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)C2)C1 ZINC001164721234 720284957 /nfs/dbraw/zinc/28/49/57/720284957.db2.gz HZSMSLYZBVWPTM-IBVKSMDESA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)C2)C1 ZINC001164721234 720284958 /nfs/dbraw/zinc/28/49/58/720284958.db2.gz HZSMSLYZBVWPTM-IBVKSMDESA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C2)C1 ZINC001164721236 720285701 /nfs/dbraw/zinc/28/57/01/720285701.db2.gz IAJRSTITKYMWNM-JOCHJYFZSA-N 1 1 463.941 2.726 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C2)C1 ZINC001164721236 720285704 /nfs/dbraw/zinc/28/57/04/720285704.db2.gz IAJRSTITKYMWNM-JOCHJYFZSA-N 1 1 463.941 2.726 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(OCc5ccccc5)ccc43)C2)C1 ZINC001164724499 720305005 /nfs/dbraw/zinc/30/50/05/720305005.db2.gz QOXSOLJXAKVJAG-HHHXNRCGSA-N 1 1 475.593 2.874 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc(OCc5ccccc5)ccc43)C2)C1 ZINC001164724499 720305011 /nfs/dbraw/zinc/30/50/11/720305011.db2.gz QOXSOLJXAKVJAG-HHHXNRCGSA-N 1 1 475.593 2.874 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)c(OC)cc43)C2)C1 ZINC001164722748 720310328 /nfs/dbraw/zinc/31/03/28/720310328.db2.gz LFNXMCRMOFZMQY-JOCHJYFZSA-N 1 1 450.942 2.701 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc4cc(F)c(OC)cc43)C2)C1 ZINC001164722748 720310337 /nfs/dbraw/zinc/31/03/37/720310337.db2.gz LFNXMCRMOFZMQY-JOCHJYFZSA-N 1 1 450.942 2.701 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723195 720350565 /nfs/dbraw/zinc/35/05/65/720350565.db2.gz HOQCCOSMJNHXIG-SJORKVTESA-N 1 1 450.921 2.760 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723195 720350569 /nfs/dbraw/zinc/35/05/69/720350569.db2.gz HOQCCOSMJNHXIG-SJORKVTESA-N 1 1 450.921 2.760 20 0 JFADMO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380430 /nfs/dbraw/zinc/38/04/30/720380430.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 1 1 454.644 2.754 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839604 720561121 /nfs/dbraw/zinc/56/11/21/720561121.db2.gz QVBBOAWGARICHB-FGTMMUONSA-N 1 1 487.008 2.617 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839611 720561979 /nfs/dbraw/zinc/56/19/79/720561979.db2.gz QVBBOAWGARICHB-RCCFBDPRSA-N 1 1 487.008 2.617 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001164842234 720589609 /nfs/dbraw/zinc/58/96/09/720589609.db2.gz UVBRUQQWVUJATI-MPGHIAIKSA-N 1 1 452.937 2.953 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840140 720602317 /nfs/dbraw/zinc/60/23/17/720602317.db2.gz PDLSDWDZZAENAH-FUPPJEDESA-N 1 1 472.659 2.831 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164742964 720640235 /nfs/dbraw/zinc/64/02/35/720640235.db2.gz NRMSXYSWASKNHC-WOJBJXKFSA-N 1 1 478.000 2.820 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164737106 720660021 /nfs/dbraw/zinc/66/00/21/720660021.db2.gz DJTCXQLFEGHPMB-MOPGFXCFSA-N 1 1 463.973 2.778 20 0 JFADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740076 720663280 /nfs/dbraw/zinc/66/32/80/720663280.db2.gz PNTXAALTZSPVTC-ROUUACIJSA-N 1 1 462.945 2.660 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164737108 720663942 /nfs/dbraw/zinc/66/39/42/720663942.db2.gz DJTCXQLFEGHPMB-RBUKOAKNSA-N 1 1 463.973 2.778 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737480 720751472 /nfs/dbraw/zinc/75/14/72/720751472.db2.gz BVUDTDBCTXSXIA-HZPDHXFCSA-N 1 1 454.918 2.592 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741858 720753648 /nfs/dbraw/zinc/75/36/48/720753648.db2.gz NFSJDYMXDMQGHX-HOTGVXAUSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741858 720753655 /nfs/dbraw/zinc/75/36/55/720753655.db2.gz NFSJDYMXDMQGHX-HOTGVXAUSA-N 1 1 459.888 2.869 20 0 JFADMO COC[C@@]12CCC[C@H]1CN(c1nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845482 720790029 /nfs/dbraw/zinc/79/00/29/720790029.db2.gz GKJAFCWRVQYNFX-DFBJGRDBSA-N 1 1 486.686 2.528 20 0 JFADMO COC[C@@]12CCC[C@@H]1CN(c1nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845481 720790267 /nfs/dbraw/zinc/79/02/67/720790267.db2.gz GKJAFCWRVQYNFX-CLOONOSVSA-N 1 1 486.686 2.528 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745353 720811615 /nfs/dbraw/zinc/81/16/15/720811615.db2.gz JZSLBWDYOYCMSU-LZLYRXPVSA-N 1 1 495.962 2.823 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1OCC ZINC001164737373 720827369 /nfs/dbraw/zinc/82/73/69/720827369.db2.gz AKXBCWYMJVIJEK-SVFBPWRDSA-N 1 1 454.575 2.628 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738040 720827625 /nfs/dbraw/zinc/82/76/25/720827625.db2.gz DOZKQMCMGPTENF-TUNNFDKTSA-N 1 1 461.570 2.777 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747413 720834097 /nfs/dbraw/zinc/83/40/97/720834097.db2.gz QMAIMEYFWYQTCM-OKZBNKHCSA-N 1 1 493.443 2.591 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745229 720840355 /nfs/dbraw/zinc/84/03/55/720840355.db2.gz MYCYMCHVVRCXSG-TZBSWOFLSA-N 1 1 488.640 2.987 20 0 JFADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750283 720842901 /nfs/dbraw/zinc/84/29/01/720842901.db2.gz WZUPWACJUSXMKI-BFYDXBDKSA-N 1 1 453.925 2.654 20 0 JFADMO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751806 720848035 /nfs/dbraw/zinc/84/80/35/720848035.db2.gz YSUUVCOYSXTROO-SKBVVQJISA-N 1 1 499.667 2.774 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164743540 720848786 /nfs/dbraw/zinc/84/87/86/720848786.db2.gz IZGXXMRSASYHPJ-DEXHYYOUSA-N 1 1 487.674 2.519 20 0 JFADMO NC(=S)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc21 ZINC001164747623 720861399 /nfs/dbraw/zinc/86/13/99/720861399.db2.gz ILAZZOVJTFWGFT-TXPKVOOTSA-N 1 1 453.641 2.901 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1N1CCOCC1 ZINC001164746974 720861844 /nfs/dbraw/zinc/86/18/44/720861844.db2.gz HJGXPIIZCUMQKK-KZNAEPCWSA-N 1 1 493.443 2.591 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@@H]2C1 ZINC001164858423 720864077 /nfs/dbraw/zinc/86/40/77/720864077.db2.gz SAHSMHODOZWAFV-KNQAVFIVSA-N 1 1 474.627 2.511 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@H]2C1 ZINC001164858430 720864111 /nfs/dbraw/zinc/86/41/11/720864111.db2.gz SAHSMHODOZWAFV-SIKLNZKXSA-N 1 1 474.627 2.511 20 0 JFADMO NC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164755277 720872353 /nfs/dbraw/zinc/87/23/53/720872353.db2.gz VRNAHBDCENCDAD-HYBUGGRVSA-N 1 1 455.990 2.984 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@@H]2C1 ZINC001164862225 720872940 /nfs/dbraw/zinc/87/29/40/720872940.db2.gz RKGFIBMDVKNICG-IAGOWNOFSA-N 1 1 453.921 2.910 20 0 JFADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C(=O)OC ZINC001164755280 720874908 /nfs/dbraw/zinc/87/49/08/720874908.db2.gz VRTIJUYBVAICDA-IDISGSTGSA-N 1 1 494.592 2.805 20 0 JFADMO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164865038 720881882 /nfs/dbraw/zinc/88/18/82/720881882.db2.gz XZZWMEZEXINVFP-IIBYNOLFSA-N 1 1 499.008 2.848 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@@H]2C1 ZINC001164865038 720881883 /nfs/dbraw/zinc/88/18/83/720881883.db2.gz XZZWMEZEXINVFP-IIBYNOLFSA-N 1 1 499.008 2.848 20 0 JFADMO CCOC(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758840 720887433 /nfs/dbraw/zinc/88/74/33/720887433.db2.gz ZVHFNWPYMFUWPX-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758839 720887518 /nfs/dbraw/zinc/88/75/18/720887518.db2.gz ZVHFNWPYMFUWPX-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755408 720895112 /nfs/dbraw/zinc/89/51/12/720895112.db2.gz LXIDHIMVEDTMQT-FQRUVTKNSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755408 720895113 /nfs/dbraw/zinc/89/51/13/720895113.db2.gz LXIDHIMVEDTMQT-FQRUVTKNSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755408 720895115 /nfs/dbraw/zinc/89/51/15/720895115.db2.gz LXIDHIMVEDTMQT-FQRUVTKNSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755407 720895214 /nfs/dbraw/zinc/89/52/14/720895214.db2.gz LXIDHIMVEDTMQT-FNZWTVRRSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755407 720895218 /nfs/dbraw/zinc/89/52/18/720895218.db2.gz LXIDHIMVEDTMQT-FNZWTVRRSA-N 1 1 476.581 2.895 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755407 720895220 /nfs/dbraw/zinc/89/52/20/720895220.db2.gz LXIDHIMVEDTMQT-FNZWTVRRSA-N 1 1 476.581 2.895 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756522 720896898 /nfs/dbraw/zinc/89/68/98/720896898.db2.gz PYDMTCFPPAVKIP-WIOPSUGQSA-N 1 1 485.654 2.530 20 0 JFADMO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164757193 720898621 /nfs/dbraw/zinc/89/86/21/720898621.db2.gz UFTMDWUGNOVBSQ-GJZUVCINSA-N 1 1 465.598 2.732 20 0 JFADMO CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753227 720910105 /nfs/dbraw/zinc/91/01/05/720910105.db2.gz RACHCALWLKGQCY-DHLKQENFSA-N 1 1 485.654 2.530 20 0 JFADMO NC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164749144 720938828 /nfs/dbraw/zinc/93/88/28/720938828.db2.gz HXGCXEYZOZVXDJ-HFZDXXHNSA-N 1 1 462.598 2.603 20 0 JFADMO CN1C[C@@H](COCC2CC2)[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O ZINC001164857279 721030458 /nfs/dbraw/zinc/03/04/58/721030458.db2.gz CEHVZOULBPNNAV-ZTCOLXNVSA-N 1 1 456.631 2.902 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164863290 721037278 /nfs/dbraw/zinc/03/72/78/721037278.db2.gz QMGBVYJGRWOWBB-BVAGGSTKSA-N 1 1 462.598 2.868 20 0 JFADMO O=C1COC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)CN1c1cncnc1 ZINC001164861368 721037818 /nfs/dbraw/zinc/03/78/18/721037818.db2.gz HDRVOLGPWMWNSV-UHFFFAOYSA-N 1 1 470.577 2.832 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164871014 721053771 /nfs/dbraw/zinc/05/37/71/721053771.db2.gz XTLQWDSLRLHEAX-MSOLQXFVSA-N 1 1 453.930 2.945 20 0 JFADMO c1ccc(CN2CCc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868629 721059181 /nfs/dbraw/zinc/05/91/81/721059181.db2.gz OVAJASQLBKQOJP-DNQXCXABSA-N 1 1 456.594 2.910 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164766445 721084193 /nfs/dbraw/zinc/08/41/93/721084193.db2.gz KHHZGYWSSHVMNN-SFTDATJTSA-N 1 1 491.621 2.669 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164867339 721087583 /nfs/dbraw/zinc/08/75/83/721087583.db2.gz YDBQQKCSMPWVLX-RJGXRXQPSA-N 1 1 491.640 2.855 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164773219 721090047 /nfs/dbraw/zinc/09/00/47/721090047.db2.gz XHCKNGBVVHTIHY-IRXDYDNUSA-N 1 1 451.953 2.967 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)ncc4C(=O)OCC4CC4)C[C@@H]3C2)cn1 ZINC001164773256 721114572 /nfs/dbraw/zinc/11/45/72/721114572.db2.gz XNZWVZYBODJHGP-IRXDYDNUSA-N 1 1 480.947 2.934 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874449 721139446 /nfs/dbraw/zinc/13/94/46/721139446.db2.gz KABFOVQPSWWZQA-HZPDHXFCSA-N 1 1 452.889 2.941 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)CC1 ZINC001164880938 721157000 /nfs/dbraw/zinc/15/70/00/721157000.db2.gz XWUSEELUHWDTOH-XZOQPEGZSA-N 1 1 489.599 2.817 20 0 JFADMO Cc1cc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164762070 721157645 /nfs/dbraw/zinc/15/76/45/721157645.db2.gz BQQPVWLNXNITDI-MOPGFXCFSA-N 1 1 453.616 2.528 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ncn3)CC2)cc1 ZINC001164875529 721167641 /nfs/dbraw/zinc/16/76/41/721167641.db2.gz LUSLGFPNYPISEO-LOSJGSFVSA-N 1 1 471.609 2.678 20 0 JFADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164879861 721174934 /nfs/dbraw/zinc/17/49/34/721174934.db2.gz UUDZPRNOMXUTRG-ISKFKSNPSA-N 1 1 460.582 2.996 20 0 JFADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164879862 721175395 /nfs/dbraw/zinc/17/53/95/721175395.db2.gz UUDZPRNOMXUTRG-LADGPHEKSA-N 1 1 460.582 2.996 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@@H]3C2)cn1 ZINC001164770946 721188191 /nfs/dbraw/zinc/18/81/91/721188191.db2.gz PGMIKCRWHGRZGT-SJORKVTESA-N 1 1 452.563 2.997 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164765905 721211238 /nfs/dbraw/zinc/21/12/38/721211238.db2.gz IPHNWBOVVMMGFL-ZBFHGGJFSA-N 1 1 458.979 2.531 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)C1 ZINC001164877741 721263965 /nfs/dbraw/zinc/26/39/65/721263965.db2.gz ROSAAQPIGWDRDT-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)C1 ZINC001164870348 721264026 /nfs/dbraw/zinc/26/40/26/721264026.db2.gz WRCIDEGQDPXMJV-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)C1 ZINC001164869357 721264288 /nfs/dbraw/zinc/26/42/88/721264288.db2.gz LNYBAJHDUNXUMA-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC2)C1 ZINC001164868609 721268194 /nfs/dbraw/zinc/26/81/94/721268194.db2.gz FAGOFPKXISEBLQ-UHFFFAOYSA-N 1 1 499.059 2.653 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4nc3N3CCCCC3)CC2)C1 ZINC001164874481 721284128 /nfs/dbraw/zinc/28/41/28/721284128.db2.gz SJOIVIOSXHYUPX-UHFFFAOYSA-N 1 1 466.630 2.627 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(F)ccc3-c3ccc(Cl)nn3)CC2)C1 ZINC001164879135 721288099 /nfs/dbraw/zinc/28/80/99/721288099.db2.gz VGMJFOPFMREXNU-UHFFFAOYSA-N 1 1 461.969 2.943 20 0 JFADMO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1=O ZINC001164768772 721296622 /nfs/dbraw/zinc/29/66/22/721296622.db2.gz GHYWDLUCBWVKHW-HSZRJFAPSA-N 1 1 463.001 2.939 20 0 JFADMO CCN1CC[C@]2(CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C[C@@H]2C)C1=O ZINC001164776080 721320249 /nfs/dbraw/zinc/32/02/49/721320249.db2.gz BZAJQCOGVNTCDR-LZJCXSABSA-N 1 1 471.646 2.575 20 0 JFADMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1)c1ccnnc1 ZINC001164875623 721322818 /nfs/dbraw/zinc/32/28/18/721322818.db2.gz GHTOWMNPRAPDFJ-LDQXTDLNSA-N 1 1 456.978 2.535 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)nc1 ZINC001164877231 721324009 /nfs/dbraw/zinc/32/40/09/721324009.db2.gz KLVAMYALCSZGOJ-AYEXWZOKSA-N 1 1 450.587 2.832 20 0 JFADMO CN(C)C1=[NH+]OC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164873985 721326708 /nfs/dbraw/zinc/32/67/08/721326708.db2.gz FITXLRUZUVDYHU-UHFFFAOYSA-N 1 1 456.616 2.647 20 0 JFADMO O=C(COC[C@]12COC[C@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCCC1 ZINC001164875386 721334224 /nfs/dbraw/zinc/33/42/24/721334224.db2.gz KRNUWQNZBSRKQO-YWEHKCAJSA-N 1 1 476.621 2.732 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(CN4CCOCC4)cn3)C2)C1 ZINC001164776062 721336210 /nfs/dbraw/zinc/33/62/10/721336210.db2.gz CGCFJIOYACFPAL-VWLOTQADSA-N 1 1 455.603 2.638 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164776851 721341880 /nfs/dbraw/zinc/34/18/80/721341880.db2.gz DKOJONGCHGMDJN-OAQYLSRUSA-N 1 1 451.930 2.697 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C(N)=O)C2)C1 ZINC001164776851 721341883 /nfs/dbraw/zinc/34/18/83/721341883.db2.gz DKOJONGCHGMDJN-OAQYLSRUSA-N 1 1 451.930 2.697 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC001164784006 721357070 /nfs/dbraw/zinc/35/70/70/721357070.db2.gz QCKFOXCACGLHOI-SANMLTNESA-N 1 1 498.628 2.590 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC001164784006 721357076 /nfs/dbraw/zinc/35/70/76/721357076.db2.gz QCKFOXCACGLHOI-SANMLTNESA-N 1 1 498.628 2.590 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787104 721361350 /nfs/dbraw/zinc/36/13/50/721361350.db2.gz ZDYAXSKIQLVOOP-VWLOTQADSA-N 1 1 482.585 2.869 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCSCC4)ncn3)C2)C1 ZINC001164781667 721371354 /nfs/dbraw/zinc/37/13/54/721371354.db2.gz KMKQFINZFFULKP-QHCPKHFHSA-N 1 1 458.632 2.754 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N4CCSCC4)ncn3)C2)C1 ZINC001164781667 721371359 /nfs/dbraw/zinc/37/13/59/721371359.db2.gz KMKQFINZFFULKP-QHCPKHFHSA-N 1 1 458.632 2.754 20 0 JFADMO CCOC(=O)c1cnc(CC)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164783853 721372320 /nfs/dbraw/zinc/37/23/20/721372320.db2.gz PVFQQFHNOCFCTJ-XMMPIXPASA-N 1 1 457.575 2.940 20 0 JFADMO CCOC(=O)c1cnc(CC)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164783853 721372324 /nfs/dbraw/zinc/37/23/24/721372324.db2.gz PVFQQFHNOCFCTJ-XMMPIXPASA-N 1 1 457.575 2.940 20 0 JFADMO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164885474 721375283 /nfs/dbraw/zinc/37/52/83/721375283.db2.gz IIBKIAOEYIFOLJ-XMMPIXPASA-N 1 1 455.628 2.819 20 0 JFADMO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164885474 721375286 /nfs/dbraw/zinc/37/52/86/721375286.db2.gz IIBKIAOEYIFOLJ-XMMPIXPASA-N 1 1 455.628 2.819 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786953 721376641 /nfs/dbraw/zinc/37/66/41/721376641.db2.gz VOLOIMJTIFJZJL-RXFWQSSRSA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786953 721376643 /nfs/dbraw/zinc/37/66/43/721376643.db2.gz VOLOIMJTIFJZJL-RXFWQSSRSA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164891867 721384048 /nfs/dbraw/zinc/38/40/48/721384048.db2.gz QZWLTPJLLLJYMH-IERDGZPVSA-N 1 1 487.979 2.617 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164891869 721384074 /nfs/dbraw/zinc/38/40/74/721384074.db2.gz QZWLTPJLLLJYMH-KKSFZXQISA-N 1 1 487.979 2.617 20 0 JFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164884303 721385342 /nfs/dbraw/zinc/38/53/42/721385342.db2.gz AADQZBFBUCMRNG-JPYJTQIMSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885620 721386852 /nfs/dbraw/zinc/38/68/52/721386852.db2.gz CVMMZQOINJCSKZ-DFBJGRDBSA-N 1 1 453.587 2.572 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)NCc4ccccc4)C3)O2)CC1 ZINC001164886315 721387696 /nfs/dbraw/zinc/38/76/96/721387696.db2.gz FBJVVBRRCSBGJS-WNCULLNHSA-N 1 1 463.626 2.777 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891986 721407849 /nfs/dbraw/zinc/40/78/49/721407849.db2.gz XTYFOUODWAGSFO-IIBYNOLFSA-N 1 1 472.964 2.832 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164781757 721409894 /nfs/dbraw/zinc/40/98/94/721409894.db2.gz DTLAVBIELVAMCV-JTDSTZFVSA-N 1 1 453.616 2.981 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164781757 721409895 /nfs/dbraw/zinc/40/98/95/721409895.db2.gz DTLAVBIELVAMCV-JTDSTZFVSA-N 1 1 453.616 2.981 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891447 721410442 /nfs/dbraw/zinc/41/04/42/721410442.db2.gz WERBSVVHGLHJLO-CJFMBICVSA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888364 721411010 /nfs/dbraw/zinc/41/10/10/721411010.db2.gz OLEPJPWUPUAKCA-OPAMFIHVSA-N 1 1 484.066 2.794 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888366 721411324 /nfs/dbraw/zinc/41/13/24/721411324.db2.gz OLEPJPWUPUAKCA-ZHRRBRCNSA-N 1 1 484.066 2.794 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164887127 721412585 /nfs/dbraw/zinc/41/25/85/721412585.db2.gz LBQIIASIWTYONG-DFBJGRDBSA-N 1 1 455.603 2.721 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888354 721417928 /nfs/dbraw/zinc/41/79/28/721417928.db2.gz OKLHTCHSZSNSKL-QVKFZJNVSA-N 1 1 472.417 2.726 20 0 JFADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883521 721418274 /nfs/dbraw/zinc/41/82/74/721418274.db2.gz AMGLGZVGIQSSLM-RDPSFJRHSA-N 1 1 464.054 2.982 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)C3)O2)CC1 ZINC001164890131 721420555 /nfs/dbraw/zinc/42/05/55/721420555.db2.gz SDZHWLRYEMPBPP-HFZDXXHNSA-N 1 1 479.604 2.779 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C3)O2)CC1 ZINC001164884580 721420683 /nfs/dbraw/zinc/42/06/83/721420683.db2.gz FBXMSAIMJGAIRZ-HOFKKMOUSA-N 1 1 492.672 2.689 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH]c(Cl)cc-2n1 ZINC001164890285 721425258 /nfs/dbraw/zinc/42/52/58/721425258.db2.gz DBANVPRMQTZDKS-MWTRTKDXSA-N 1 1 461.994 2.768 20 0 JFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897351 721427196 /nfs/dbraw/zinc/42/71/96/721427196.db2.gz SZDXFTBMEUYNMV-QYSIVFCQSA-N 1 1 453.587 2.515 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164891508 721429068 /nfs/dbraw/zinc/42/90/68/721429068.db2.gz GUIXBPPWCBZYDA-LAUBAEHRSA-N 1 1 472.964 2.832 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)ncn2)CC1 ZINC001164787988 721429233 /nfs/dbraw/zinc/42/92/33/721429233.db2.gz RQQFDDGPURZUPL-KDURUIRLSA-N 1 1 465.602 2.967 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)ncn2)CC1 ZINC001164787988 721429236 /nfs/dbraw/zinc/42/92/36/721429236.db2.gz RQQFDDGPURZUPL-KDURUIRLSA-N 1 1 465.602 2.967 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888684 721438742 /nfs/dbraw/zinc/43/87/42/721438742.db2.gz AIQGILWBPIBQFN-QRWLVFNGSA-N 1 1 454.953 2.922 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C3)O2)CC1 ZINC001164895365 721438891 /nfs/dbraw/zinc/43/88/91/721438891.db2.gz NYZONTPGKWEXEP-JTSKRJEESA-N 1 1 492.049 2.604 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1OC ZINC001164899474 721444052 /nfs/dbraw/zinc/44/40/52/721444052.db2.gz YMSASMCFJLYGGN-NFQMXDRXSA-N 1 1 497.640 2.935 20 0 JFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc(NC(=O)c2ccccc2)n1 ZINC001164898706 721444285 /nfs/dbraw/zinc/44/42/85/721444285.db2.gz WPEGRNUBZFENPJ-NVQXNPDNSA-N 1 1 464.614 2.803 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(Cl)n1 ZINC001164898489 721447970 /nfs/dbraw/zinc/44/79/70/721447970.db2.gz VZXBBNSXOCANMT-OXQOHEQNSA-N 1 1 458.985 2.506 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164787806 721450735 /nfs/dbraw/zinc/45/07/35/721450735.db2.gz QSCSEQSONIZBBE-KRWDZBQOSA-N 1 1 452.983 2.651 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164785849 721458465 /nfs/dbraw/zinc/45/84/65/721458465.db2.gz OAOGPGSNYWLPOS-IBGZPJMESA-N 1 1 481.037 2.970 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164783968 721460433 /nfs/dbraw/zinc/46/04/33/721460433.db2.gz GPOCCEJVCQBOPU-HXUWFJFHSA-N 1 1 480.053 2.701 20 0 JFADMO CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(N2CCOCC2)n1 ZINC001164785722 721462883 /nfs/dbraw/zinc/46/28/83/721462883.db2.gz NAFVINHHDAEVCM-QHCPKHFHSA-N 1 1 473.662 2.610 20 0 JFADMO CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(N2CCOCC2)n1 ZINC001164785722 721462886 /nfs/dbraw/zinc/46/28/86/721462886.db2.gz NAFVINHHDAEVCM-QHCPKHFHSA-N 1 1 473.662 2.610 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164790081 721465850 /nfs/dbraw/zinc/46/58/50/721465850.db2.gz QSXLFAHQNKMUEZ-JOCHJYFZSA-N 1 1 488.677 2.995 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164786382 721469342 /nfs/dbraw/zinc/46/93/42/721469342.db2.gz AXUJCNQNYMYPLU-JOCHJYFZSA-N 1 1 471.646 2.883 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164788293 721473795 /nfs/dbraw/zinc/47/37/95/721473795.db2.gz IVVLMLSUKNFAHM-GMAHTHKFSA-N 1 1 486.657 2.879 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796345 721499129 /nfs/dbraw/zinc/49/91/29/721499129.db2.gz QUFIFHXCOKSGHE-JGCGQSQUSA-N 1 1 457.600 2.667 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807221 721537424 /nfs/dbraw/zinc/53/74/24/721537424.db2.gz QPSMPGYWYXVJHK-DBXWQHBBSA-N 1 1 494.974 2.775 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807221 721537428 /nfs/dbraw/zinc/53/74/28/721537428.db2.gz QPSMPGYWYXVJHK-DBXWQHBBSA-N 1 1 494.974 2.775 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164907128 721546365 /nfs/dbraw/zinc/54/63/65/721546365.db2.gz MEIZOYKGKOOGQX-UYAOXDASSA-N 1 1 480.496 2.961 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)[C@H]2CCCO[C@H]12 ZINC001164804577 721550848 /nfs/dbraw/zinc/55/08/48/721550848.db2.gz KLULNBKFWHEULP-ARNLJNQMSA-N 1 1 458.566 2.626 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164906603 721551259 /nfs/dbraw/zinc/55/12/59/721551259.db2.gz KFAHIRZPLDXBDD-ZBFHGGJFSA-N 1 1 459.909 2.889 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc-2n1 ZINC001164798936 721551514 /nfs/dbraw/zinc/55/15/14/721551514.db2.gz AEVJMNLLZMBTJB-JAXLGGSGSA-N 1 1 451.527 2.621 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc-2n1 ZINC001164798939 721552068 /nfs/dbraw/zinc/55/20/68/721552068.db2.gz AEVJMNLLZMBTJB-ONTIZHBOSA-N 1 1 451.527 2.621 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)C1 ZINC001164907192 721555310 /nfs/dbraw/zinc/55/53/10/721555310.db2.gz MOPGIFZBZZAAKA-CBQOVEMMSA-N 1 1 469.561 2.737 20 0 JFADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906868 721555901 /nfs/dbraw/zinc/55/59/01/721555901.db2.gz LGNGVNVQOKYDJB-ICSRJNTNSA-N 1 1 460.937 2.688 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905313 721556231 /nfs/dbraw/zinc/55/62/31/721556231.db2.gz GPZDICCDHXSRTE-TZIWHRDSSA-N 1 1 462.591 2.887 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC(C)=O ZINC001164805398 721569119 /nfs/dbraw/zinc/56/91/19/721569119.db2.gz NNPSUJFGSGUJDY-OTNCWRBYSA-N 1 1 491.548 2.744 20 0 JFADMO CN(C)C(=O)[C@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CC2 ZINC001164903567 721570194 /nfs/dbraw/zinc/57/01/94/721570194.db2.gz CPHZXGJNOKKXLG-UYAOXDASSA-N 1 1 471.646 2.575 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801399 721571643 /nfs/dbraw/zinc/57/16/43/721571643.db2.gz GNEJZVRXJKHUJY-AKFKNWHVSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801399 721571644 /nfs/dbraw/zinc/57/16/44/721571644.db2.gz GNEJZVRXJKHUJY-AKFKNWHVSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164809924 721573052 /nfs/dbraw/zinc/57/30/52/721573052.db2.gz YGRAPVLXYCGGNA-ZHALLVOQSA-N 1 1 451.905 2.642 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@@H]2CCCO[C@@H]12 ZINC001164809924 721573056 /nfs/dbraw/zinc/57/30/56/721573056.db2.gz YGRAPVLXYCGGNA-ZHALLVOQSA-N 1 1 451.905 2.642 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1C ZINC001164802308 721574802 /nfs/dbraw/zinc/57/48/02/721574802.db2.gz IAQUYNMMBKKEEO-WDSOQIARSA-N 1 1 470.961 2.672 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1C ZINC001164802308 721574805 /nfs/dbraw/zinc/57/48/05/721574805.db2.gz IAQUYNMMBKKEEO-WDSOQIARSA-N 1 1 470.961 2.672 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2C1=O ZINC001164900943 721575262 /nfs/dbraw/zinc/57/52/62/721575262.db2.gz BEZFNCNLFOYAQQ-WMZOPIPTSA-N 1 1 455.628 2.707 20 0 JFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCCCCC2)n1 ZINC001164805357 721576436 /nfs/dbraw/zinc/57/64/36/721576436.db2.gz MVGRAGUKVFALNQ-ACRUOGEOSA-N 1 1 453.591 2.524 20 0 JFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(N2CCCCCC2)n1 ZINC001164805357 721576438 /nfs/dbraw/zinc/57/64/38/721576438.db2.gz MVGRAGUKVFALNQ-ACRUOGEOSA-N 1 1 453.591 2.524 20 0 JFADMO O=C(c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164907082 721585847 /nfs/dbraw/zinc/58/58/47/721585847.db2.gz RANAVRLOSOOOBZ-QHCPKHFHSA-N 1 1 457.525 2.687 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810203 721590153 /nfs/dbraw/zinc/59/01/53/721590153.db2.gz VCUJHEVSMNYZJP-DZKIICNBSA-N 1 1 452.342 2.833 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164810203 721590154 /nfs/dbraw/zinc/59/01/54/721590154.db2.gz VCUJHEVSMNYZJP-DZKIICNBSA-N 1 1 452.342 2.833 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1C(=O)OCC ZINC001164806915 721591360 /nfs/dbraw/zinc/59/13/60/721591360.db2.gz NQEPPTOTJXVSDC-QNWVGRARSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1C(=O)OCC ZINC001164806915 721591363 /nfs/dbraw/zinc/59/13/63/721591363.db2.gz NQEPPTOTJXVSDC-QNWVGRARSA-N 1 1 468.554 2.698 20 0 JFADMO c1cnn(C[C@@H]2CC[C@]3(COCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805950 721607547 /nfs/dbraw/zinc/60/75/47/721607547.db2.gz PYUIBJPPZUNXAN-NVQXNPDNSA-N 1 1 460.582 2.686 20 0 JFADMO c1cnn(C[C@@H]2CC[C@]3(COCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805950 721607548 /nfs/dbraw/zinc/60/75/48/721607548.db2.gz PYUIBJPPZUNXAN-NVQXNPDNSA-N 1 1 460.582 2.686 20 0 JFADMO COC(=O)c1cc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2n1C ZINC001164906237 721721667 /nfs/dbraw/zinc/72/16/67/721721667.db2.gz LKZZPDGYCPJEIJ-QFIPXVFZSA-N 1 1 456.497 2.888 20 0 JFADMO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165020136 721784173 /nfs/dbraw/zinc/78/41/73/721784173.db2.gz MENBKZKVOHHFDV-SANMLTNESA-N 1 1 455.566 2.848 20 0 JFADMO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165020136 721784177 /nfs/dbraw/zinc/78/41/77/721784177.db2.gz MENBKZKVOHHFDV-SANMLTNESA-N 1 1 455.566 2.848 20 0 JFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164915547 721786081 /nfs/dbraw/zinc/78/60/81/721786081.db2.gz LBCGLHYJQUMRER-XMMPIXPASA-N 1 1 458.006 2.834 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]32)cc1 ZINC001165026568 721795829 /nfs/dbraw/zinc/79/58/29/721795829.db2.gz ZTCTUJGCILGGCY-SFTDATJTSA-N 1 1 456.974 2.956 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026438 721817098 /nfs/dbraw/zinc/81/70/98/721817098.db2.gz QGIWMAVCEMJPHE-PMVMPFDFSA-N 1 1 464.614 2.998 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165025492 721818067 /nfs/dbraw/zinc/81/80/67/721818067.db2.gz MXRVRACDXAEKEL-MDNUFGMLSA-N 1 1 464.614 2.998 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165019238 721839926 /nfs/dbraw/zinc/83/99/26/721839926.db2.gz ATNXVCKRVMYWBJ-UHFFFAOYSA-N 1 1 461.588 2.888 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C(=O)N(CCOC)CCO[C@@H]3C2)n1 ZINC001164919867 721844079 /nfs/dbraw/zinc/84/40/79/721844079.db2.gz DOTMLJCQSVYCSE-RTBURBONSA-N 1 1 475.659 2.850 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1=O ZINC001164922570 721844124 /nfs/dbraw/zinc/84/41/24/721844124.db2.gz RAMMHAUMZXAADX-UYAOXDASSA-N 1 1 499.681 2.866 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1=O ZINC001164920939 721844153 /nfs/dbraw/zinc/84/41/53/721844153.db2.gz LWVAETSMAPWHEJ-PMACEKPBSA-N 1 1 487.670 2.994 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@@H]3C2)n1 ZINC001164919866 721844187 /nfs/dbraw/zinc/84/41/87/721844187.db2.gz DOTMLJCQSVYCSE-RBUKOAKNSA-N 1 1 475.659 2.850 20 0 JFADMO COc1cccc(OC)c1CN1CCC(N(C)c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001165031024 721844646 /nfs/dbraw/zinc/84/46/46/721844646.db2.gz OTMGDZSXPHYAFH-UHFFFAOYSA-N 1 1 455.603 2.973 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164931732 721854268 /nfs/dbraw/zinc/85/42/68/721854268.db2.gz VNIVOMUIFMCHEK-PMACEKPBSA-N 1 1 489.045 2.845 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164931732 721854269 /nfs/dbraw/zinc/85/42/69/721854269.db2.gz VNIVOMUIFMCHEK-PMACEKPBSA-N 1 1 489.045 2.845 20 0 JFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922588 721875228 /nfs/dbraw/zinc/87/52/28/721875228.db2.gz HASRBUGUYNRYDK-OALUTQOASA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922588 721875231 /nfs/dbraw/zinc/87/52/31/721875231.db2.gz HASRBUGUYNRYDK-OALUTQOASA-N 1 1 475.018 2.536 20 0 JFADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001165034503 721875761 /nfs/dbraw/zinc/87/57/61/721875761.db2.gz LYOYJFMXARWALJ-QGZVFWFLSA-N 1 1 453.568 2.678 20 0 JFADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931012 721883949 /nfs/dbraw/zinc/88/39/49/721883949.db2.gz DZHOCZZUTQRIAP-MOPGFXCFSA-N 1 1 467.998 2.890 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938684 721930555 /nfs/dbraw/zinc/93/05/55/721930555.db2.gz DQFXVBDXLYSHSE-XIFFEERXSA-N 1 1 472.611 2.571 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938684 721930556 /nfs/dbraw/zinc/93/05/56/721930556.db2.gz DQFXVBDXLYSHSE-XIFFEERXSA-N 1 1 472.611 2.571 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)CC3)C2)cc1 ZINC001164940203 721931114 /nfs/dbraw/zinc/93/11/14/721931114.db2.gz RUHMMXIYYKGJJD-UHFFFAOYSA-N 1 1 456.612 2.702 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[NH+](CCOc4ccccc4)CC3)n2)cc1 ZINC001165044452 721958252 /nfs/dbraw/zinc/95/82/52/721958252.db2.gz LRNMJBCVGUUNEI-UHFFFAOYSA-N 1 1 454.552 2.873 20 0 JFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164951419 721980161 /nfs/dbraw/zinc/98/01/61/721980161.db2.gz ZHWOARXPNJKMJF-UHFFFAOYSA-N 1 1 453.550 2.787 20 0 JFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164951419 721980164 /nfs/dbraw/zinc/98/01/64/721980164.db2.gz ZHWOARXPNJKMJF-UHFFFAOYSA-N 1 1 453.550 2.787 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165056622 722016130 /nfs/dbraw/zinc/01/61/30/722016130.db2.gz YZNDAJXWXDJUDV-VQTJNVASSA-N 1 1 485.583 2.986 20 0 JFADMO O=C([C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164959126 722044917 /nfs/dbraw/zinc/04/49/17/722044917.db2.gz HGZPVWSOPQEMGD-DEOSSOPVSA-N 1 1 476.621 2.874 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)C1 ZINC001164961695 722059733 /nfs/dbraw/zinc/05/97/33/722059733.db2.gz OHGROZKYGLIAFN-HSZRJFAPSA-N 1 1 494.640 2.770 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC001164963290 722060555 /nfs/dbraw/zinc/06/05/55/722060555.db2.gz VRGHQXPXJDHCPA-UHFFFAOYSA-N 1 1 487.670 2.920 20 0 JFADMO CC[C@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164967778 722074607 /nfs/dbraw/zinc/07/46/07/722074607.db2.gz WBOHEHSWVBXPRH-OKYOBFRVSA-N 1 1 476.572 2.525 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164978668 722093735 /nfs/dbraw/zinc/09/37/35/722093735.db2.gz JBNHLDSBEKRSEX-KGSLCBSSSA-N 1 1 452.603 2.918 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164981938 722095582 /nfs/dbraw/zinc/09/55/82/722095582.db2.gz PNAIHXUYEMTEFB-WMZOPIPTSA-N 1 1 453.616 2.983 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977283 722101453 /nfs/dbraw/zinc/10/14/53/722101453.db2.gz FRRQOTDMBAQOOP-SJLPKXTDSA-N 1 1 481.931 2.974 20 0 JFADMO NC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164976476 722101635 /nfs/dbraw/zinc/10/16/35/722101635.db2.gz DJRZSDBFNLCQJA-RDJZCZTQSA-N 1 1 451.905 2.501 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977285 722101656 /nfs/dbraw/zinc/10/16/56/722101656.db2.gz FRRQOTDMBAQOOP-WMZOPIPTSA-N 1 1 481.931 2.974 20 0 JFADMO c1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980693 722105264 /nfs/dbraw/zinc/10/52/64/722105264.db2.gz JYDSZVHWVMTBDF-CTNGQTDRSA-N 1 1 466.611 2.650 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982695 722125182 /nfs/dbraw/zinc/12/51/82/722125182.db2.gz XSOPVADRLWCLLK-MSOLQXFVSA-N 1 1 479.412 2.742 20 0 JFADMO Cc1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978188 722128426 /nfs/dbraw/zinc/12/84/26/722128426.db2.gz NSVXMTFZVWQOLI-UNMCSNQZSA-N 1 1 480.638 2.959 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164983304 722130980 /nfs/dbraw/zinc/13/09/80/722130980.db2.gz TVIVGUDKPLIMTG-IEBWSBKVSA-N 1 1 453.568 2.990 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981154 722132574 /nfs/dbraw/zinc/13/25/74/722132574.db2.gz ORFVQPLJKBPFJL-NLFFAJNJSA-N 1 1 491.548 2.603 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976078 722143599 /nfs/dbraw/zinc/14/35/99/722143599.db2.gz GZEWJAAICWPOKU-RBBKRZOGSA-N 1 1 473.643 2.671 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982116 722145743 /nfs/dbraw/zinc/14/57/43/722145743.db2.gz RDQIEKHXINRYAY-VQIMIIECSA-N 1 1 486.001 2.961 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164972193 722156497 /nfs/dbraw/zinc/15/64/97/722156497.db2.gz GOHNBMQDOLLDPU-HUUCEWRRSA-N 1 1 452.342 2.692 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(=O)OCC ZINC001164977120 722158054 /nfs/dbraw/zinc/15/80/54/722158054.db2.gz XDTFCBMIPWXQFI-FPOVZHCZSA-N 1 1 468.554 2.557 20 0 JFADMO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973012 722158913 /nfs/dbraw/zinc/15/89/13/722158913.db2.gz JXLPUHJPQMHYJG-AEFFLSMTSA-N 1 1 486.972 2.806 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1N1CCOCC1 ZINC001164973186 722158924 /nfs/dbraw/zinc/15/89/24/722158924.db2.gz LRJHFYDLCRUHRF-ZWKOTPCHSA-N 1 1 479.412 2.742 20 0 JFADMO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973013 722159093 /nfs/dbraw/zinc/15/90/93/722159093.db2.gz JXLPUHJPQMHYJG-FUHWJXTLSA-N 1 1 486.972 2.806 20 0 JFADMO Clc1ccc(C[NH+]2CCCC2)c(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)n1 ZINC001164992010 722173210 /nfs/dbraw/zinc/17/32/10/722173210.db2.gz ZRMFSJHOORLFHK-LJQANCHMSA-N 1 1 454.962 2.871 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164991371 722188957 /nfs/dbraw/zinc/18/89/57/722188957.db2.gz PQVCJWAIRDMJIM-QFIPXVFZSA-N 1 1 451.615 2.874 20 0 JFADMO CC(C)C(=O)NCc1nnc2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164988317 722190100 /nfs/dbraw/zinc/19/01/00/722190100.db2.gz GCCROPCMALCJMQ-UHFFFAOYSA-N 1 1 459.598 2.914 20 0 JFADMO Cn1cnc2c1nc(N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)nc2N1CCOCC1 ZINC001164994557 722196752 /nfs/dbraw/zinc/19/67/52/722196752.db2.gz NVTFIJJEYHHWNI-XMMPIXPASA-N 1 1 451.550 2.584 20 0 JFADMO Cn1cnc2c1nc(N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)nc2N1CCOCC1 ZINC001164994555 722196829 /nfs/dbraw/zinc/19/68/29/722196829.db2.gz NVTFIJJEYHHWNI-DEOSSOPVSA-N 1 1 451.550 2.584 20 0 JFADMO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164995727 722218293 /nfs/dbraw/zinc/21/82/93/722218293.db2.gz KHEPZWZICVHRSK-MUUNZHRXSA-N 1 1 497.603 2.862 20 0 JFADMO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164995727 722218298 /nfs/dbraw/zinc/21/82/98/722218298.db2.gz KHEPZWZICVHRSK-MUUNZHRXSA-N 1 1 497.603 2.862 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)c2)CC1 ZINC001164998992 722220246 /nfs/dbraw/zinc/22/02/46/722220246.db2.gz NRXGXNXNDPMABM-VWLOTQADSA-N 1 1 450.539 2.917 20 0 JFADMO COCCO[C@@H]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164998245 722223304 /nfs/dbraw/zinc/22/33/04/722223304.db2.gz HKQJYKIEUUYYBI-LOSJGSFVSA-N 1 1 462.598 2.621 20 0 JFADMO COCCO[C@@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164998245 722223306 /nfs/dbraw/zinc/22/33/06/722223306.db2.gz HKQJYKIEUUYYBI-LOSJGSFVSA-N 1 1 462.598 2.621 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)CC1 ZINC001164996523 722230594 /nfs/dbraw/zinc/23/05/94/722230594.db2.gz IYZTXAOEMDSSBI-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1Cl ZINC001164996029 722231051 /nfs/dbraw/zinc/23/10/51/722231051.db2.gz AVYKBGFHYVBYDN-UHFFFAOYSA-N 1 1 465.385 2.712 20 0 JFADMO CN1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164998152 722232009 /nfs/dbraw/zinc/23/20/09/722232009.db2.gz YTOMSAUZWNHLGV-UHFFFAOYSA-N 1 1 469.637 2.787 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)CC1 ZINC001164997843 722232542 /nfs/dbraw/zinc/23/25/42/722232542.db2.gz XJPFGIZJJDGZHU-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997946 722232833 /nfs/dbraw/zinc/23/28/33/722232833.db2.gz YWAOKSNNTIYDJO-UHFFFAOYSA-N 1 1 481.988 2.607 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)ncc2C(=O)OC(C)(C)C)CC3)CC1 ZINC001164997581 722235035 /nfs/dbraw/zinc/23/50/35/722235035.db2.gz RAKYPVOPWYMZNA-UHFFFAOYSA-N 1 1 458.994 2.837 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc(Oc4ccc(F)cc4)n2)CC3)CC1 ZINC001164997187 722235107 /nfs/dbraw/zinc/23/51/07/722235107.db2.gz NTSNUJINGLQKSX-UHFFFAOYSA-N 1 1 470.940 2.603 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)OCc4ccccc4)cn2)CC3)CC1 ZINC001165001574 722238274 /nfs/dbraw/zinc/23/82/74/722238274.db2.gz JGBLZEWBFBGKIV-UHFFFAOYSA-N 1 1 458.566 2.586 20 0 JFADMO COc1ccc(Oc2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc(C)n2)cc1 ZINC001165001813 722239185 /nfs/dbraw/zinc/23/91/85/722239185.db2.gz MFTLYXMSSNNYPB-UHFFFAOYSA-N 1 1 461.570 2.733 20 0 JFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297582 1059475846 /nfs/dbraw/zinc/47/58/46/1059475846.db2.gz UJJAMBWDNTZHNN-MJGOQNOKSA-N 1 1 489.432 2.502 20 0 JFADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc3ncc(I)n3c2)C[C@H](C)O1 ZINC001264317286 1059568944 /nfs/dbraw/zinc/56/89/44/1059568944.db2.gz GNWPTAJJHLEQOZ-BETUJISGSA-N 1 1 456.328 2.557 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc3ncc(I)n3c2)C[C@H](C)O1 ZINC001264317286 1059568969 /nfs/dbraw/zinc/56/89/69/1059568969.db2.gz GNWPTAJJHLEQOZ-BETUJISGSA-N 1 1 456.328 2.557 20 0 JFADMO Cc1cn(C2CCOCC2)nc1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001264565049 1059616458 /nfs/dbraw/zinc/61/64/58/1059616458.db2.gz OYUPCMXVJXRKAL-UHFFFAOYSA-N 1 1 459.522 2.595 20 0 JFADMO Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001264708085 1059653306 /nfs/dbraw/zinc/65/33/06/1059653306.db2.gz JSZRWSLAONJDIP-SFHVURJKSA-N 1 1 458.584 2.546 20 0 JFADMO CS(C)(=O)=Nc1ccccc1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001264708555 1059654443 /nfs/dbraw/zinc/65/44/43/1059654443.db2.gz UFMCSGFCFRYWGY-UHFFFAOYSA-N 1 1 458.584 2.637 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3COc4ccc(Br)cc43)cc2)CC1 ZINC001264765161 1059666988 /nfs/dbraw/zinc/66/69/88/1059666988.db2.gz MTWJLJPHTHNCJW-LJQANCHMSA-N 1 1 458.356 2.880 20 0 JFADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)c2)CC1 ZINC001264942864 1059733842 /nfs/dbraw/zinc/73/38/42/1059733842.db2.gz JKHFQTMJCWQGMG-DHIUTWEWSA-N 1 1 457.596 2.772 20 0 JFADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3COCC[C@@H]3c3ccccc3)c2)CC1 ZINC001264942864 1059733864 /nfs/dbraw/zinc/73/38/64/1059733864.db2.gz JKHFQTMJCWQGMG-DHIUTWEWSA-N 1 1 457.596 2.772 20 0 JFADMO CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C(=O)OC(C)(C)C ZINC001264943072 1059733969 /nfs/dbraw/zinc/73/39/69/1059733969.db2.gz RMZAJCCSKKHYHQ-IBGZPJMESA-N 1 1 453.605 2.565 20 0 JFADMO CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C(=O)OC(C)(C)C ZINC001264943072 1059733986 /nfs/dbraw/zinc/73/39/86/1059733986.db2.gz RMZAJCCSKKHYHQ-IBGZPJMESA-N 1 1 453.605 2.565 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(CN4CCOCC4)o3)CC2)c1C ZINC001264964694 1059741800 /nfs/dbraw/zinc/74/18/00/1059741800.db2.gz MPCJRSASZSLCDL-UHFFFAOYSA-N 1 1 456.587 2.869 20 0 JFADMO CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nc1 ZINC001265064070 1059760157 /nfs/dbraw/zinc/76/01/57/1059760157.db2.gz VVLLIGKUYGVRMN-FQEVSTJZSA-N 1 1 452.555 2.664 20 0 JFADMO CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001265066498 1059761048 /nfs/dbraw/zinc/76/10/48/1059761048.db2.gz QTUDKXJBARBPRA-IBGZPJMESA-N 1 1 453.624 2.942 20 0 JFADMO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001265127135 1059774127 /nfs/dbraw/zinc/77/41/27/1059774127.db2.gz VLIBXRBLIASZPJ-SFHVURJKSA-N 1 1 454.658 2.973 20 0 JFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@H](C)C1 ZINC001265127364 1059774752 /nfs/dbraw/zinc/77/47/52/1059774752.db2.gz ALTDLQIXKISFPN-ZBNTXBBCSA-N 1 1 453.624 2.513 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001265241330 1059803554 /nfs/dbraw/zinc/80/35/54/1059803554.db2.gz SGCOWHLLAFDHAF-TZIWHRDSSA-N 1 1 459.587 2.959 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001265241330 1059803574 /nfs/dbraw/zinc/80/35/74/1059803574.db2.gz SGCOWHLLAFDHAF-TZIWHRDSSA-N 1 1 459.587 2.959 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265246723 1059804871 /nfs/dbraw/zinc/80/48/71/1059804871.db2.gz DECHTXLXYZGQEH-GOSISDBHSA-N 1 1 453.543 2.850 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265247166 1059805935 /nfs/dbraw/zinc/80/59/35/1059805935.db2.gz LPEQLLWMIYWCPW-IFMALSPDSA-N 1 1 455.603 2.719 20 0 JFADMO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393742 1059841078 /nfs/dbraw/zinc/84/10/78/1059841078.db2.gz HKLBZAAMPQBDCL-UXHICEINSA-N 1 1 458.628 2.704 20 0 JFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC001265393906 1059841849 /nfs/dbraw/zinc/84/18/49/1059841849.db2.gz MDKJNSMYLRNRLF-UUOWRZLLSA-N 1 1 452.555 2.524 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001265661431 1059906471 /nfs/dbraw/zinc/90/64/71/1059906471.db2.gz RCBWUEYQFJCWDQ-SCWSEQNSSA-N 1 1 474.403 2.644 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC001265661292 1059906522 /nfs/dbraw/zinc/90/65/22/1059906522.db2.gz QDAMFRGHQGZKPA-GOSISDBHSA-N 1 1 452.534 2.920 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1noc2ccc(Br)cc12 ZINC001265662275 1059907045 /nfs/dbraw/zinc/90/70/45/1059907045.db2.gz ZTYYMSOBDWFWNJ-HNNXBMFYSA-N 1 1 458.360 2.855 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cn(-c4ccc(F)cc4C)nn3)cc2)CC1 ZINC001265681826 1059910614 /nfs/dbraw/zinc/91/06/14/1059910614.db2.gz YHKBEWYXPZLOBN-UHFFFAOYSA-N 1 1 450.518 2.674 20 0 JFADMO CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001265828751 1059930890 /nfs/dbraw/zinc/93/08/90/1059930890.db2.gz SSBHSABQQKSOIJ-OAQYLSRUSA-N 1 1 458.628 2.936 20 0 JFADMO CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837638 1059934242 /nfs/dbraw/zinc/93/42/42/1059934242.db2.gz ZSUQFSATLAYUDO-JTHBVZDNSA-N 1 1 450.514 2.781 20 0 JFADMO CC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837638 1059934261 /nfs/dbraw/zinc/93/42/61/1059934261.db2.gz ZSUQFSATLAYUDO-JTHBVZDNSA-N 1 1 450.514 2.781 20 0 JFADMO CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001266229338 1059975649 /nfs/dbraw/zinc/97/56/49/1059975649.db2.gz HSORINAOXLOSTP-AJSBUHFISA-N 1 1 476.042 2.953 20 0 JFADMO CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2S1(=O)=O ZINC001279365638 1059982892 /nfs/dbraw/zinc/98/28/92/1059982892.db2.gz WKFMKOURGWDPFV-OAQYLSRUSA-N 1 1 455.580 2.834 20 0 JFADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CC1 ZINC001279365167 1059983056 /nfs/dbraw/zinc/98/30/56/1059983056.db2.gz RIDWZNZSAHNEIS-KXTRFFEISA-N 1 1 459.631 2.693 20 0 JFADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1Br ZINC001279577375 1059984778 /nfs/dbraw/zinc/98/47/78/1059984778.db2.gz HLFDUHZNQWRLEH-MRXNPFEDSA-N 1 1 458.422 2.836 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001286839589 1061097375 /nfs/dbraw/zinc/09/73/75/1061097375.db2.gz VIEDWGQCQKHDTP-OAQYLSRUSA-N 1 1 490.052 2.820 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286842064 1061111810 /nfs/dbraw/zinc/11/18/10/1061111810.db2.gz LZAIDBYINNBAOQ-IBGZPJMESA-N 1 1 456.639 2.780 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286843470 1061122193 /nfs/dbraw/zinc/12/21/93/1061122193.db2.gz TXOQCZQEDIBUAP-FQEVSTJZSA-N 1 1 473.666 2.502 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)C1 ZINC001286843827 1061125532 /nfs/dbraw/zinc/12/55/32/1061125532.db2.gz AJXHSPHSJLELDM-FQEVSTJZSA-N 1 1 470.618 2.751 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001286844720 1061136891 /nfs/dbraw/zinc/13/68/91/1061136891.db2.gz SOVIRBDIZVKFEU-UHFFFAOYSA-N 1 1 451.575 2.818 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286846927 1061152862 /nfs/dbraw/zinc/15/28/62/1061152862.db2.gz FJRLQYBAJHMFKD-NRFANRHFSA-N 1 1 454.619 2.669 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286850647 1061178488 /nfs/dbraw/zinc/17/84/88/1061178488.db2.gz PQZTZFODFIJQSZ-DHIUTWEWSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001286854632 1061204682 /nfs/dbraw/zinc/20/46/82/1061204682.db2.gz OILMENPNWVXTSX-IRLDBZIGSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286854945 1061206676 /nfs/dbraw/zinc/20/66/76/1061206676.db2.gz WJSRSICUYKSWIV-BHDDXSALSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286854945 1061206691 /nfs/dbraw/zinc/20/66/91/1061206691.db2.gz WJSRSICUYKSWIV-BHDDXSALSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286855011 1061206954 /nfs/dbraw/zinc/20/69/54/1061206954.db2.gz XJZIGLCCBHUPDP-MJGOQNOKSA-N 1 1 458.582 2.784 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286860972 1061229764 /nfs/dbraw/zinc/22/97/64/1061229764.db2.gz DSCHOTLYWNAXOQ-UHFFFAOYSA-N 1 1 492.571 2.716 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001289601712 1061247246 /nfs/dbraw/zinc/24/72/46/1061247246.db2.gz FAOLKVMXPFKECH-GOSISDBHSA-N 1 1 452.550 2.735 20 0 JFADMO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001286868346 1061256196 /nfs/dbraw/zinc/25/61/96/1061256196.db2.gz KBZPBHWRQHLWCF-UHFFFAOYSA-N 1 1 481.689 2.743 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286868900 1061259063 /nfs/dbraw/zinc/25/90/63/1061259063.db2.gz CHXOWLDTMVOEPF-DHLKQENFSA-N 1 1 497.688 2.706 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001286869453 1061261965 /nfs/dbraw/zinc/26/19/65/1061261965.db2.gz FAYHULUYWFRUMU-WSBIGAKOSA-N 1 1 492.734 2.862 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001286869449 1061262154 /nfs/dbraw/zinc/26/21/54/1061262154.db2.gz FAYHULUYWFRUMU-HVSLEJHRSA-N 1 1 492.734 2.862 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001286870245 1061264954 /nfs/dbraw/zinc/26/49/54/1061264954.db2.gz IIXXTLLSSLMFLA-KNQAVFIVSA-N 1 1 454.623 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870831 1061268057 /nfs/dbraw/zinc/26/80/57/1061268057.db2.gz KQXXABDSYKIAJG-NZQKXSOJSA-N 1 1 471.650 2.715 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870830 1061268303 /nfs/dbraw/zinc/26/83/03/1061268303.db2.gz KQXXABDSYKIAJG-NFBKMPQASA-N 1 1 471.650 2.715 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)o1 ZINC001289634651 1061268611 /nfs/dbraw/zinc/26/86/11/1061268611.db2.gz DPAXFZHHBHMNQD-NTKDMRAZSA-N 1 1 461.607 2.825 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001286871101 1061269277 /nfs/dbraw/zinc/26/92/77/1061269277.db2.gz LSJHOUULSFXBSW-KSEOMHKRSA-N 1 1 478.707 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870915 1061269441 /nfs/dbraw/zinc/26/94/41/1061269441.db2.gz LSJHOUULSFXBSW-BAGYTPMASA-N 1 1 478.707 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286871812 1061275400 /nfs/dbraw/zinc/27/54/00/1061275400.db2.gz QCHPTFBKVMCBIQ-REWPJTCUSA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286871811 1061275819 /nfs/dbraw/zinc/27/58/19/1061275819.db2.gz QCHPTFBKVMCBIQ-OFNKIYASSA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872144 1061276668 /nfs/dbraw/zinc/27/66/68/1061276668.db2.gz SITBMRXEDXFZIT-XLIONFOSSA-N 1 1 494.587 2.897 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872178 1061277208 /nfs/dbraw/zinc/27/72/08/1061277208.db2.gz SVIDOTXBKIMTNZ-XUZZJYLKSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286875006 1061291097 /nfs/dbraw/zinc/29/10/97/1061291097.db2.gz DUWIKGIEIXCNAJ-SFHVURJKSA-N 1 1 474.053 2.682 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286875006 1061291115 /nfs/dbraw/zinc/29/11/15/1061291115.db2.gz DUWIKGIEIXCNAJ-SFHVURJKSA-N 1 1 474.053 2.682 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286875006 1061291132 /nfs/dbraw/zinc/29/11/32/1061291132.db2.gz DUWIKGIEIXCNAJ-SFHVURJKSA-N 1 1 474.053 2.682 20 0 JFADMO CC1(C)CC[N@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001289678754 1061294462 /nfs/dbraw/zinc/29/44/62/1061294462.db2.gz JEVVXVAGTBZNQY-KRWDZBQOSA-N 1 1 459.450 2.891 20 0 JFADMO CC1(C)CC[N@@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001289678754 1061294481 /nfs/dbraw/zinc/29/44/81/1061294481.db2.gz JEVVXVAGTBZNQY-KRWDZBQOSA-N 1 1 459.450 2.891 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286882564 1061310868 /nfs/dbraw/zinc/31/08/68/1061310868.db2.gz HXBPQCFALKYQNU-SFHVURJKSA-N 1 1 491.036 2.678 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286883762 1061315234 /nfs/dbraw/zinc/31/52/34/1061315234.db2.gz PIZKCRUDLVOUBD-QFIPXVFZSA-N 1 1 497.688 2.557 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286884144 1061317285 /nfs/dbraw/zinc/31/72/85/1061317285.db2.gz CGURGUKHOOMMFR-KDURUIRLSA-N 1 1 470.666 2.565 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706918 1061317552 /nfs/dbraw/zinc/31/75/52/1061317552.db2.gz ZHIZXLKZTRFUOZ-SIKLNZKXSA-N 1 1 472.609 2.809 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706916 1061317676 /nfs/dbraw/zinc/31/76/76/1061317676.db2.gz ZHIZXLKZTRFUOZ-KNQAVFIVSA-N 1 1 472.609 2.809 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001286884976 1061321977 /nfs/dbraw/zinc/32/19/77/1061321977.db2.gz SLISJZGQEUZBHI-XLIONFOSSA-N 1 1 459.664 2.811 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CC2=O)cc1 ZINC001289716630 1061324449 /nfs/dbraw/zinc/32/44/49/1061324449.db2.gz OCCLFFWRLDCIPC-QFIPXVFZSA-N 1 1 468.646 2.974 20 0 JFADMO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001286885708 1061324757 /nfs/dbraw/zinc/32/47/57/1061324757.db2.gz NBYJUAUXLAGPMI-GOSISDBHSA-N 1 1 487.674 2.591 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289720516 1061326739 /nfs/dbraw/zinc/32/67/39/1061326739.db2.gz DHIVDHHUQGLGHM-RTBURBONSA-N 1 1 490.674 2.889 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001286886781 1061331727 /nfs/dbraw/zinc/33/17/27/1061331727.db2.gz IPTKRRFPUIHMNB-UTKZUKDTSA-N 1 1 460.026 2.562 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289723030 1061331634 /nfs/dbraw/zinc/33/16/34/1061331634.db2.gz PGLLUOCHHUQDQZ-XMMPIXPASA-N 1 1 484.004 2.899 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286887020 1061332670 /nfs/dbraw/zinc/33/26/70/1061332670.db2.gz LYIFCNXSVLJCJI-XUZZJYLKSA-N 1 1 483.661 2.782 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001289725689 1061333480 /nfs/dbraw/zinc/33/34/80/1061333480.db2.gz IIXJEEXBMQNPJA-FYYLOGMGSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCc3ccccc3C(F)(F)F)C[C@@H]2C)CC1 ZINC001286887509 1061337113 /nfs/dbraw/zinc/33/71/13/1061337113.db2.gz RXOOMQMKMWVQMY-KKSFZXQISA-N 1 1 464.536 2.837 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)cc1C ZINC001289727900 1061337227 /nfs/dbraw/zinc/33/72/27/1061337227.db2.gz VJNOVTOULOERBW-RZUBCFFCSA-N 1 1 470.618 2.872 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCCO2)cc1C ZINC001289727900 1061337248 /nfs/dbraw/zinc/33/72/48/1061337248.db2.gz VJNOVTOULOERBW-RZUBCFFCSA-N 1 1 470.618 2.872 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286887529 1061337188 /nfs/dbraw/zinc/33/71/88/1061337188.db2.gz SELPMOYNYAOABU-ZJSXRUAMSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286887528 1061337270 /nfs/dbraw/zinc/33/72/70/1061337270.db2.gz SELPMOYNYAOABU-XUZZJYLKSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286887521 1061337395 /nfs/dbraw/zinc/33/73/95/1061337395.db2.gz SCFDUCDTQQPFFG-VQIMIIECSA-N 1 1 497.591 2.506 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887776 1061338173 /nfs/dbraw/zinc/33/81/73/1061338173.db2.gz UQLRVISYVVFSJT-LPHOPBHVSA-N 1 1 467.540 2.615 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC001286887853 1061338749 /nfs/dbraw/zinc/33/87/49/1061338749.db2.gz HAOPDTRDASTTFQ-IRMYBRCSSA-N 1 1 490.693 2.755 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3Cc3c(F)cc(F)c(F)c3F)C[C@@H]2C)CC1 ZINC001286888013 1061339286 /nfs/dbraw/zinc/33/92/86/1061339286.db2.gz WBMIYMUWSBABKI-IFXJQAMLSA-N 1 1 482.526 2.995 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001289729452 1061339726 /nfs/dbraw/zinc/33/97/26/1061339726.db2.gz OHYGQBPEPKXNPK-UYAOXDASSA-N 1 1 492.571 2.933 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(Nc3cnn(C)c3)nnc2-c2ccc(C)c(Br)c2)CC1 ZINC001286888919 1061344256 /nfs/dbraw/zinc/34/42/56/1061344256.db2.gz CEQVYLIXHLETDZ-UHFFFAOYSA-N 1 1 487.406 2.657 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001286889803 1061350931 /nfs/dbraw/zinc/35/09/31/1061350931.db2.gz LZDCHQMYAYYTCL-KRWDZBQOSA-N 1 1 492.571 2.714 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289738435 1061351063 /nfs/dbraw/zinc/35/10/63/1061351063.db2.gz NDYFTSPWAMTAPS-LJQANCHMSA-N 1 1 455.607 2.579 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001286889817 1061351399 /nfs/dbraw/zinc/35/13/99/1061351399.db2.gz MLBUWFMBIYPUKP-SJORKVTESA-N 1 1 492.466 2.693 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001289739092 1061352513 /nfs/dbraw/zinc/35/25/13/1061352513.db2.gz HDYOYWCCEZQRHO-QFIPXVFZSA-N 1 1 470.618 2.731 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001286890697 1061353752 /nfs/dbraw/zinc/35/37/52/1061353752.db2.gz QBHYOOSQMITTRE-UHFFFAOYSA-N 1 1 491.427 2.786 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001289740245 1061353982 /nfs/dbraw/zinc/35/39/82/1061353982.db2.gz MFLSHJITXYOZGK-OAQYLSRUSA-N 1 1 481.645 2.936 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001286890580 1061356159 /nfs/dbraw/zinc/35/61/59/1061356159.db2.gz AUDQWXMNDMCIOG-FQEVSTJZSA-N 1 1 477.613 2.667 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289742489 1061357712 /nfs/dbraw/zinc/35/77/12/1061357712.db2.gz AMKMFWZJTJXXLA-IBGZPJMESA-N 1 1 481.645 2.986 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001289742515 1061358317 /nfs/dbraw/zinc/35/83/17/1061358317.db2.gz BALBMUYFNSZTDP-GOSISDBHSA-N 1 1 482.507 2.595 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001289742515 1061358334 /nfs/dbraw/zinc/35/83/34/1061358334.db2.gz BALBMUYFNSZTDP-GOSISDBHSA-N 1 1 482.507 2.595 20 0 JFADMO CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001286891512 1061361092 /nfs/dbraw/zinc/36/10/92/1061361092.db2.gz ZOTWFEYZSYCXKZ-UHFFFAOYSA-N 1 1 474.053 2.683 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001289744091 1061361346 /nfs/dbraw/zinc/36/13/46/1061361346.db2.gz UXVIJTVYYBANML-NVQXNPDNSA-N 1 1 484.645 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001289744091 1061361365 /nfs/dbraw/zinc/36/13/65/1061361365.db2.gz UXVIJTVYYBANML-NVQXNPDNSA-N 1 1 484.645 2.855 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CCCOCC2)CC1 ZINC001286891682 1061361558 /nfs/dbraw/zinc/36/15/58/1061361558.db2.gz MVMDJMORGJYEJL-UHFFFAOYSA-N 1 1 484.645 2.761 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001289746325 1061363466 /nfs/dbraw/zinc/36/34/66/1061363466.db2.gz GWDUVCJMOQUHNH-NHCUHLMSSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289754562 1061376205 /nfs/dbraw/zinc/37/62/05/1061376205.db2.gz SVGIUNARGLHUAB-UNMCSNQZSA-N 1 1 470.618 2.871 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289754561 1061376276 /nfs/dbraw/zinc/37/62/76/1061376276.db2.gz SVGIUNARGLHUAB-RBBKRZOGSA-N 1 1 470.618 2.871 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001289755373 1061377427 /nfs/dbraw/zinc/37/74/27/1061377427.db2.gz ARSGLDGLCNIVDV-FQEVSTJZSA-N 1 1 470.618 2.666 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001289755373 1061377445 /nfs/dbraw/zinc/37/74/45/1061377445.db2.gz ARSGLDGLCNIVDV-FQEVSTJZSA-N 1 1 470.618 2.666 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001289769293 1061390641 /nfs/dbraw/zinc/39/06/41/1061390641.db2.gz PTACKBVQBVPQKN-AABGKKOBSA-N 1 1 486.642 2.882 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001286900438 1061391953 /nfs/dbraw/zinc/39/19/53/1061391953.db2.gz GHJWVZMXSWNMSJ-UHFFFAOYSA-N 1 1 454.623 2.741 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286900473 1061392424 /nfs/dbraw/zinc/39/24/24/1061392424.db2.gz IBRXDMOJGGHUBE-LNLZDRLMSA-N 1 1 476.666 2.903 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001289774568 1061396473 /nfs/dbraw/zinc/39/64/73/1061396473.db2.gz RZQLAYOOKWVTFU-UXHICEINSA-N 1 1 463.648 2.828 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001286902265 1061396906 /nfs/dbraw/zinc/39/69/06/1061396906.db2.gz MKPPUXDLVOEZCZ-KXTRFFEISA-N 1 1 468.646 2.900 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286902488 1061397931 /nfs/dbraw/zinc/39/79/31/1061397931.db2.gz BGYZTWKFVVGVOU-UHFFFAOYSA-N 1 1 498.672 2.894 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289775608 1061398467 /nfs/dbraw/zinc/39/84/67/1061398467.db2.gz RZWTUQNXSADLTG-FQEVSTJZSA-N 1 1 484.645 2.501 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289782734 1061405731 /nfs/dbraw/zinc/40/57/31/1061405731.db2.gz LAHOXLLJYCPUER-HSZRJFAPSA-N 1 1 474.009 2.564 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286904515 1061410176 /nfs/dbraw/zinc/41/01/76/1061410176.db2.gz VMQYOZNLKILKGH-HOHBBMLPSA-N 1 1 456.639 2.506 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286904555 1061410222 /nfs/dbraw/zinc/41/02/22/1061410222.db2.gz RNOWDXRVBITFAL-OWUFIANHSA-N 1 1 476.666 2.553 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cnn(C)c2)cc1C ZINC001289788861 1061415681 /nfs/dbraw/zinc/41/56/81/1061415681.db2.gz YOUJHOSDWFWCCX-UHFFFAOYSA-N 1 1 467.618 2.803 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cnn(C)c2)cc1C ZINC001289788861 1061415688 /nfs/dbraw/zinc/41/56/88/1061415688.db2.gz YOUJHOSDWFWCCX-UHFFFAOYSA-N 1 1 467.618 2.803 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286905301 1061418130 /nfs/dbraw/zinc/41/81/30/1061418130.db2.gz MWGOGTHKAJWRAY-FPOVZHCZSA-N 1 1 482.633 2.685 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286905299 1061418235 /nfs/dbraw/zinc/41/82/35/1061418235.db2.gz MWGOGTHKAJWRAY-CTNGQTDRSA-N 1 1 482.633 2.685 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001289799414 1061433574 /nfs/dbraw/zinc/43/35/74/1061433574.db2.gz JBXMGMKVOKNNTK-QHCPKHFHSA-N 1 1 497.644 2.662 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289802168 1061437662 /nfs/dbraw/zinc/43/76/62/1061437662.db2.gz GRIGOGDINLKWNE-CJFMBICVSA-N 1 1 454.619 2.988 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286907943 1061439523 /nfs/dbraw/zinc/43/95/23/1061439523.db2.gz GBBFBPIFBXGGPC-FUHWJXTLSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286908079 1061440793 /nfs/dbraw/zinc/44/07/93/1061440793.db2.gz XQMNUDAUGURFLR-MAUKXSAKSA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286908079 1061440802 /nfs/dbraw/zinc/44/08/02/1061440802.db2.gz XQMNUDAUGURFLR-MAUKXSAKSA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001286910200 1061455269 /nfs/dbraw/zinc/45/52/69/1061455269.db2.gz DGSCFAAKZRUWJN-LADGPHEKSA-N 1 1 484.645 2.627 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001286911710 1061464913 /nfs/dbraw/zinc/46/49/13/1061464913.db2.gz KQTWJFPMXNWRHY-DEOSSOPVSA-N 1 1 497.688 2.544 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286912078 1061466503 /nfs/dbraw/zinc/46/65/03/1061466503.db2.gz JKINQNLIFGYMLD-MBOZVWFJSA-N 1 1 459.664 2.859 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289818684 1061476178 /nfs/dbraw/zinc/47/61/78/1061476178.db2.gz ICLTYYUCLHFUFN-HSZRJFAPSA-N 1 1 498.672 2.829 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001289819324 1061479015 /nfs/dbraw/zinc/47/90/15/1061479015.db2.gz SERZJYVNPRFYLV-UHFFFAOYSA-N 1 1 456.635 2.727 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCS(C)(=O)=O)cc1C ZINC001289824763 1061492270 /nfs/dbraw/zinc/49/22/70/1061492270.db2.gz PLHKKNWGDPWJTD-UHFFFAOYSA-N 1 1 461.632 2.583 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001289825656 1061498576 /nfs/dbraw/zinc/49/85/76/1061498576.db2.gz GBOFDHOIEDENMQ-UHFFFAOYSA-N 1 1 484.645 2.581 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001289825656 1061498583 /nfs/dbraw/zinc/49/85/83/1061498583.db2.gz GBOFDHOIEDENMQ-UHFFFAOYSA-N 1 1 484.645 2.581 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(C)(C)O)CC1 ZINC001289825715 1061498599 /nfs/dbraw/zinc/49/85/99/1061498599.db2.gz HODCQIONCBDRIR-UHFFFAOYSA-N 1 1 481.645 2.999 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286917012 1061502671 /nfs/dbraw/zinc/50/26/71/1061502671.db2.gz ZXAIFKZRERSAKT-UHFFFAOYSA-N 1 1 491.434 2.535 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001286918252 1061505226 /nfs/dbraw/zinc/50/52/26/1061505226.db2.gz BIIKKKWVVKVMBT-XMMPIXPASA-N 1 1 468.646 2.587 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286918263 1061505283 /nfs/dbraw/zinc/50/52/83/1061505283.db2.gz BTJMRXNBPVIJGY-OAQYLSRUSA-N 1 1 453.635 2.737 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286918330 1061505806 /nfs/dbraw/zinc/50/58/06/1061505806.db2.gz KPBLWJBMZYIZOE-QFIPXVFZSA-N 1 1 454.619 2.715 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286919417 1061509730 /nfs/dbraw/zinc/50/97/30/1061509730.db2.gz ONYHBOZOUUPZKC-UHFFFAOYSA-N 1 1 465.577 2.640 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286921261 1061516363 /nfs/dbraw/zinc/51/63/63/1061516363.db2.gz BNMSYUYSJRNETR-UHFFFAOYSA-N 1 1 472.659 2.706 20 0 JFADMO Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289843153 1061518373 /nfs/dbraw/zinc/51/83/73/1061518373.db2.gz VTNMVRUDNZJQOJ-VWPQPMDRSA-N 1 1 470.618 2.552 20 0 JFADMO Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289843153 1061518393 /nfs/dbraw/zinc/51/83/93/1061518393.db2.gz VTNMVRUDNZJQOJ-VWPQPMDRSA-N 1 1 470.618 2.552 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286922062 1061519898 /nfs/dbraw/zinc/51/98/98/1061519898.db2.gz PZJCOIKKGPXKIB-FCHUYYIVSA-N 1 1 496.660 2.646 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286922338 1061521796 /nfs/dbraw/zinc/52/17/96/1061521796.db2.gz UHZJIXVEXORLRJ-XKGZKEIXSA-N 1 1 489.665 2.636 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286927636 1061545611 /nfs/dbraw/zinc/54/56/11/1061545611.db2.gz IQVIGNYXURSLKO-OAQYLSRUSA-N 1 1 489.064 2.986 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286927636 1061545628 /nfs/dbraw/zinc/54/56/28/1061545628.db2.gz IQVIGNYXURSLKO-OAQYLSRUSA-N 1 1 489.064 2.986 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCOC2)cc1 ZINC001289863127 1061546603 /nfs/dbraw/zinc/54/66/03/1061546603.db2.gz OHQFERKJEOMVCD-XMMPIXPASA-N 1 1 475.659 2.577 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@]2(O)CCOC2)cc1 ZINC001289863127 1061546621 /nfs/dbraw/zinc/54/66/21/1061546621.db2.gz OHQFERKJEOMVCD-XMMPIXPASA-N 1 1 475.659 2.577 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286928137 1061547511 /nfs/dbraw/zinc/54/75/11/1061547511.db2.gz VZNYURSMXNSGPL-LJQANCHMSA-N 1 1 496.660 2.788 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289868261 1061549999 /nfs/dbraw/zinc/54/99/99/1061549999.db2.gz PVCGTAOXVYBOJR-VQTJNVASSA-N 1 1 472.659 2.691 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001289868260 1061550053 /nfs/dbraw/zinc/55/00/53/1061550053.db2.gz PVCGTAOXVYBOJR-UXHICEINSA-N 1 1 472.659 2.691 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286930465 1061555093 /nfs/dbraw/zinc/55/50/93/1061555093.db2.gz RKHUEAARZGZZIJ-QPPBQGQZSA-N 1 1 486.636 2.717 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289876927 1061560690 /nfs/dbraw/zinc/56/06/90/1061560690.db2.gz HEMKIGUEIOHMQD-HYBUGGRVSA-N 1 1 475.659 2.576 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286932539 1061563011 /nfs/dbraw/zinc/56/30/11/1061563011.db2.gz YXRFUCLPHNFFTL-UHFFFAOYSA-N 1 1 492.571 2.621 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001289878839 1061563627 /nfs/dbraw/zinc/56/36/27/1061563627.db2.gz KKTSRGDJEYDRQL-HXUWFJFHSA-N 1 1 472.659 2.706 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286933968 1061567634 /nfs/dbraw/zinc/56/76/34/1061567634.db2.gz CDZGODDTRROEFI-VWLOTQADSA-N 1 1 482.673 2.887 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286934425 1061569364 /nfs/dbraw/zinc/56/93/64/1061569364.db2.gz SMNCBCNZRGEIHA-IBGZPJMESA-N 1 1 464.618 2.552 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294092295 1061572118 /nfs/dbraw/zinc/57/21/18/1061572118.db2.gz WDVLCTIMCFAETM-MRXNPFEDSA-N 1 1 455.529 2.829 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001294093598 1061572671 /nfs/dbraw/zinc/57/26/71/1061572671.db2.gz GBZBYUFWXKNJMQ-JOCHJYFZSA-N 1 1 475.707 2.913 20 0 JFADMO Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001289889815 1061573976 /nfs/dbraw/zinc/57/39/76/1061573976.db2.gz MQOFZGQNEHWXLC-JOCHJYFZSA-N 1 1 481.645 2.620 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294099283 1061579956 /nfs/dbraw/zinc/57/99/56/1061579956.db2.gz MHRIYMMFOMXLNY-BILGYAHESA-N 1 1 493.693 2.939 20 0 JFADMO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117350 1061599582 /nfs/dbraw/zinc/59/95/82/1061599582.db2.gz WOJVKSQAILLYCX-KNQAVFIVSA-N 1 1 475.682 2.766 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286943594 1061604186 /nfs/dbraw/zinc/60/41/86/1061604186.db2.gz VAAGDCLWXXHHHJ-CMKODMSKSA-N 1 1 458.582 2.546 20 0 JFADMO Cc1cc(N2CCC(NC(=O)[C@](C)(O)c3ccc(F)c(Br)c3)CC2)nc(C)[nH+]1 ZINC001294125238 1061607715 /nfs/dbraw/zinc/60/77/15/1061607715.db2.gz BDMHZDPEMKTLBI-HXUWFJFHSA-N 1 1 451.340 2.988 20 0 JFADMO Cc1cc(N2CCC(NC(=O)c3cc(I)ccc3N)CC2)nc(C)[nH+]1 ZINC001294126057 1061609921 /nfs/dbraw/zinc/60/99/21/1061609921.db2.gz HPJYAGFYWUNOGZ-UHFFFAOYSA-N 1 1 451.312 2.679 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001289922313 1061615208 /nfs/dbraw/zinc/61/52/08/1061615208.db2.gz MFDVAVRVGMZAEG-SFHVURJKSA-N 1 1 492.550 2.884 20 0 JFADMO Cc1cccc(-c2nnc(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCS(C)(=O)=O)n1 ZINC001289926419 1061617633 /nfs/dbraw/zinc/61/76/33/1061617633.db2.gz WOWXFMZPHWXCSW-NRFANRHFSA-N 1 1 468.627 2.651 20 0 JFADMO Cc1cccc(-c2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CCC(=O)NC(C)C)n1 ZINC001289931114 1061622226 /nfs/dbraw/zinc/62/22/26/1061622226.db2.gz HQBLHBAKIZDHIF-GBXCKJPGSA-N 1 1 493.660 2.816 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCOCc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001289932100 1061624487 /nfs/dbraw/zinc/62/44/87/1061624487.db2.gz PRQJPRYHQNMKSS-VWLOTQADSA-N 1 1 450.587 2.758 20 0 JFADMO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001294140234 1061627419 /nfs/dbraw/zinc/62/74/19/1061627419.db2.gz ZOONUJOCVKIKTF-ICSRJNTNSA-N 1 1 496.703 2.746 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001289947781 1061638134 /nfs/dbraw/zinc/63/81/34/1061638134.db2.gz KZAIERTXVVPWCK-CVEARBPZSA-N 1 1 465.524 2.636 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CCS(C)(=O)=O)n1 ZINC001289950058 1061642523 /nfs/dbraw/zinc/64/25/23/1061642523.db2.gz FCVTULAWQGLFQD-HXUWFJFHSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCN2CCOC[C@@H]2C)n1 ZINC001289950545 1061644877 /nfs/dbraw/zinc/64/48/77/1061644877.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 1 1 455.651 2.926 20 0 JFADMO CC(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286948970 1061666052 /nfs/dbraw/zinc/66/60/52/1061666052.db2.gz AOKFHGAFZHGEIS-UHFFFAOYSA-N 1 1 463.026 2.919 20 0 JFADMO CC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286949472 1061671361 /nfs/dbraw/zinc/67/13/61/1061671361.db2.gz JVYKUHFGKFEWHN-UHFFFAOYSA-N 1 1 456.591 2.553 20 0 JFADMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1I ZINC001294173140 1061677482 /nfs/dbraw/zinc/67/74/82/1061677482.db2.gz JJVOOGQNDICNNF-UHFFFAOYSA-N 1 1 455.134 2.752 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001289972290 1061679784 /nfs/dbraw/zinc/67/97/84/1061679784.db2.gz JSEIBXNRROLQSF-ICSRJNTNSA-N 1 1 460.648 2.784 20 0 JFADMO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286950879 1061685098 /nfs/dbraw/zinc/68/50/98/1061685098.db2.gz ATGGSSMXWIKATR-CEWLAPEOSA-N 1 1 489.665 2.592 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001289978523 1061697425 /nfs/dbraw/zinc/69/74/25/1061697425.db2.gz BIDXEGGZDDMASV-UHFFFAOYSA-N 1 1 453.591 2.968 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978924 1061699617 /nfs/dbraw/zinc/69/96/17/1061699617.db2.gz HWUPCJQGUSOIKO-BKMJKUGQSA-N 1 1 483.661 2.579 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001294190233 1061700306 /nfs/dbraw/zinc/70/03/06/1061700306.db2.gz UDZWVJOBGOGMGR-SFHVURJKSA-N 1 1 455.502 2.717 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCCNS(C)(=O)=O)n1 ZINC001289981416 1061703630 /nfs/dbraw/zinc/70/36/30/1061703630.db2.gz UUHRNXQLNWRZIG-GOSISDBHSA-N 1 1 489.671 2.533 20 0 JFADMO CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001286954159 1061703819 /nfs/dbraw/zinc/70/38/19/1061703819.db2.gz CTOMCKIKCZYHCP-UHFFFAOYSA-N 1 1 458.582 2.977 20 0 JFADMO C[C@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201221 1061707413 /nfs/dbraw/zinc/70/74/13/1061707413.db2.gz IBFBNHZVFKSTMY-DWLFOUALSA-N 1 1 455.603 2.966 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001289984131 1061707968 /nfs/dbraw/zinc/70/79/68/1061707968.db2.gz ZGRAXOHGEDLBAA-LJQANCHMSA-N 1 1 490.674 2.551 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001289984131 1061707984 /nfs/dbraw/zinc/70/79/84/1061707984.db2.gz ZGRAXOHGEDLBAA-LJQANCHMSA-N 1 1 490.674 2.551 20 0 JFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 ZINC001294204850 1061709461 /nfs/dbraw/zinc/70/94/61/1061709461.db2.gz MQYGPXSYXWLDHA-HNNXBMFYSA-N 1 1 457.356 2.542 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710881 /nfs/dbraw/zinc/71/08/81/1061710881.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 1 1 462.683 2.841 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)CC1 ZINC001294207072 1061711013 /nfs/dbraw/zinc/71/10/13/1061711013.db2.gz WNPMKKWAJPNMJA-UHFFFAOYSA-N 1 1 479.633 2.964 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001294208668 1061711226 /nfs/dbraw/zinc/71/12/26/1061711226.db2.gz HMZRNDFSTDQLGX-UHFFFAOYSA-N 1 1 481.707 2.824 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001294209028 1061711991 /nfs/dbraw/zinc/71/19/91/1061711991.db2.gz MQGIIRIBCUHCQZ-VSKRKVRLSA-N 1 1 481.707 2.944 20 0 JFADMO COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001294209734 1061713247 /nfs/dbraw/zinc/71/32/47/1061713247.db2.gz ASXHNHGVZRWTOD-UHFFFAOYSA-N 1 1 454.556 2.815 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001294209868 1061714149 /nfs/dbraw/zinc/71/41/49/1061714149.db2.gz CCMQCCBZORUTPO-RUZDIDTESA-N 1 1 454.619 2.998 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnn(C)n2)CC1 ZINC001294211072 1061715774 /nfs/dbraw/zinc/71/57/74/1061715774.db2.gz QGTGXQKHVUAFMQ-UHFFFAOYSA-N 1 1 455.586 2.528 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001294211482 1061717368 /nfs/dbraw/zinc/71/73/68/1061717368.db2.gz TZHLVLHZDVJXIN-UHFFFAOYSA-N 1 1 453.635 2.963 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)cc1 ZINC001294212110 1061717932 /nfs/dbraw/zinc/71/79/32/1061717932.db2.gz XEUDZYVQFAAQTG-UHFFFAOYSA-N 1 1 459.503 2.707 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294214306 1061722631 /nfs/dbraw/zinc/72/26/31/1061722631.db2.gz GSHJDZFEEDYCKT-GOSISDBHSA-N 1 1 497.413 2.530 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294214651 1061723278 /nfs/dbraw/zinc/72/32/78/1061723278.db2.gz KGLPJPOUKWLCKK-GOSISDBHSA-N 1 1 483.592 2.946 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294215100 1061723942 /nfs/dbraw/zinc/72/39/42/1061723942.db2.gz QHGXLYMUYAAOAF-MSOLQXFVSA-N 1 1 459.570 2.503 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294214943 1061724340 /nfs/dbraw/zinc/72/43/40/1061724340.db2.gz OIFPWBAUZFDYML-HXUWFJFHSA-N 1 1 480.411 2.799 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294216309 1061725401 /nfs/dbraw/zinc/72/54/01/1061725401.db2.gz ZMFVUMVQTJDVOS-UHFFFAOYSA-N 1 1 493.450 2.735 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001294217115 1061727220 /nfs/dbraw/zinc/72/72/20/1061727220.db2.gz AZCPIBUJKNGYDJ-HSZRJFAPSA-N 1 1 453.595 2.658 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001290002276 1061727205 /nfs/dbraw/zinc/72/72/05/1061727205.db2.gz RWICUKWIRWXROB-IRLDBZIGSA-N 1 1 454.619 2.687 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1 ZINC001294217116 1061727369 /nfs/dbraw/zinc/72/73/69/1061727369.db2.gz AZCPIBUJKNGYDJ-QHCPKHFHSA-N 1 1 453.595 2.658 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294217248 1061727788 /nfs/dbraw/zinc/72/77/88/1061727788.db2.gz FNMSZBSALJGTBI-WOJBJXKFSA-N 1 1 470.618 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217418 1061728949 /nfs/dbraw/zinc/72/89/49/1061728949.db2.gz HABHAYBUPLPLJU-PXDATVDWSA-N 1 1 497.688 2.674 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C ZINC001294218029 1061729694 /nfs/dbraw/zinc/72/96/94/1061729694.db2.gz XGUQLOIGIDNFLV-HXUWFJFHSA-N 1 1 486.646 2.551 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294219072 1061730349 /nfs/dbraw/zinc/73/03/49/1061730349.db2.gz VXLSWGSSSHYVBI-RTWAWAEBSA-N 1 1 470.618 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294219616 1061731243 /nfs/dbraw/zinc/73/12/43/1061731243.db2.gz ZRRRNMHICDINTH-DEOSSOPVSA-N 1 1 491.658 2.709 20 0 JFADMO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001294221736 1061732152 /nfs/dbraw/zinc/73/21/52/1061732152.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 1 1 451.623 2.518 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001294221736 1061732173 /nfs/dbraw/zinc/73/21/73/1061732173.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 1 1 451.623 2.518 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 ZINC001294221999 1061732840 /nfs/dbraw/zinc/73/28/40/1061732840.db2.gz ZRDBKISFUSLDOW-GOSISDBHSA-N 1 1 463.652 2.585 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294221978 1061732905 /nfs/dbraw/zinc/73/29/05/1061732905.db2.gz YXSKHWKXSQZQBO-UHFFFAOYSA-N 1 1 467.540 2.967 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294223125 1061733347 /nfs/dbraw/zinc/73/33/47/1061733347.db2.gz BUZQYRUGKPVNSE-QFIPXVFZSA-N 1 1 470.618 2.920 20 0 JFADMO CCCCn1c(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC001294222948 1061733517 /nfs/dbraw/zinc/73/35/17/1061733517.db2.gz FOVPIDWPGLLPHG-MSOLQXFVSA-N 1 1 458.607 2.527 20 0 JFADMO CCCC[N@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001294224148 1061734296 /nfs/dbraw/zinc/73/42/96/1061734296.db2.gz OQYBFFVNFBZGSN-UHFFFAOYSA-N 1 1 480.661 2.937 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001294224148 1061734317 /nfs/dbraw/zinc/73/43/17/1061734317.db2.gz OQYBFFVNFBZGSN-UHFFFAOYSA-N 1 1 480.661 2.937 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001294224683 1061735620 /nfs/dbraw/zinc/73/56/20/1061735620.db2.gz WVCHRLDRPFMVFQ-UXHICEINSA-N 1 1 462.545 2.817 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001294224685 1061735770 /nfs/dbraw/zinc/73/57/70/1061735770.db2.gz WVCHRLDRPFMVFQ-WOJBJXKFSA-N 1 1 462.545 2.817 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001294228552 1061743854 /nfs/dbraw/zinc/74/38/54/1061743854.db2.gz PSEWNKYLUMSHHN-JOCHJYFZSA-N 1 1 485.608 2.507 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294228968 1061744689 /nfs/dbraw/zinc/74/46/89/1061744689.db2.gz JMLSVAIOGBOUSU-NRFANRHFSA-N 1 1 455.651 2.656 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001294230690 1061747775 /nfs/dbraw/zinc/74/77/75/1061747775.db2.gz ZRXRUYDWWBAGSG-HFMPRLQTSA-N 1 1 459.639 2.644 20 0 JFADMO COc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC001294239294 1061751052 /nfs/dbraw/zinc/75/10/52/1061751052.db2.gz OPXUTSCTCSYCDD-AREMUKBSSA-N 1 1 451.567 2.948 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1 ZINC001286973467 1061762080 /nfs/dbraw/zinc/76/20/80/1061762080.db2.gz RQCGIMJJHRJDIY-GJZGRUSLSA-N 1 1 487.468 2.779 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001290047704 1061767803 /nfs/dbraw/zinc/76/78/03/1061767803.db2.gz SLJZJANXPCYIRP-QFIPXVFZSA-N 1 1 484.645 2.725 20 0 JFADMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001290052141 1061769546 /nfs/dbraw/zinc/76/95/46/1061769546.db2.gz KQXCCSQODWEOBA-UHFFFAOYSA-N 1 1 450.583 2.594 20 0 JFADMO CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294282004 1061773328 /nfs/dbraw/zinc/77/33/28/1061773328.db2.gz WBBOISKVAPLIHL-YADHBBJMSA-N 1 1 490.674 2.512 20 0 JFADMO Cc1c(Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cnn1C ZINC001290055542 1061775304 /nfs/dbraw/zinc/77/53/04/1061775304.db2.gz OHQWPSFBABSOQP-UHFFFAOYSA-N 1 1 467.618 2.803 20 0 JFADMO Cc1c(Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cnn1C ZINC001290055542 1061775325 /nfs/dbraw/zinc/77/53/25/1061775325.db2.gz OHQWPSFBABSOQP-UHFFFAOYSA-N 1 1 467.618 2.803 20 0 JFADMO CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294289740 1061776171 /nfs/dbraw/zinc/77/61/71/1061776171.db2.gz OQSGTBDFINMVQK-HXUWFJFHSA-N 1 1 470.618 2.799 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001290058062 1061777890 /nfs/dbraw/zinc/77/78/90/1061777890.db2.gz BZSQMNRZZIZXOX-PMACEKPBSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001290062204 1061782585 /nfs/dbraw/zinc/78/25/85/1061782585.db2.gz AOYUOTUJWPUUQP-UHFFFAOYSA-N 1 1 461.632 2.665 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001286976328 1061783454 /nfs/dbraw/zinc/78/34/54/1061783454.db2.gz DEIRSKQUWCELBO-GGPKGHCWSA-N 1 1 475.663 2.790 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286976416 1061783860 /nfs/dbraw/zinc/78/38/60/1061783860.db2.gz ONVYZUMMXDRMKK-WSTZPKSXSA-N 1 1 462.664 2.642 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290064505 1061788947 /nfs/dbraw/zinc/78/89/47/1061788947.db2.gz SWXAXFLZZXEDOH-SANMLTNESA-N 1 1 497.644 2.710 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294306083 1061793547 /nfs/dbraw/zinc/79/35/47/1061793547.db2.gz BFTWAZVUHXTVQA-MOPGFXCFSA-N 1 1 470.618 2.929 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286978079 1061796049 /nfs/dbraw/zinc/79/60/49/1061796049.db2.gz ULIXANRIWQMMSF-OPYAIIAOSA-N 1 1 460.648 2.539 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001286978079 1061796069 /nfs/dbraw/zinc/79/60/69/1061796069.db2.gz ULIXANRIWQMMSF-OPYAIIAOSA-N 1 1 460.648 2.539 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309177 1061797951 /nfs/dbraw/zinc/79/79/51/1061797951.db2.gz SFGDXSDLFKXMHE-FQEVSTJZSA-N 1 1 491.658 2.852 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294310661 1061800674 /nfs/dbraw/zinc/80/06/74/1061800674.db2.gz ISLDIRGPSFHPRG-FCHUYYIVSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294310663 1061801400 /nfs/dbraw/zinc/80/14/00/1061801400.db2.gz ISLDIRGPSFHPRG-FGZHOGPDSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294311678 1061802180 /nfs/dbraw/zinc/80/21/80/1061802180.db2.gz NOSAOIHLZYXCNX-HXUWFJFHSA-N 1 1 456.639 2.790 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312057 1061803372 /nfs/dbraw/zinc/80/33/72/1061803372.db2.gz SPQAPLOAKCKUAM-HXUWFJFHSA-N 1 1 452.669 2.576 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312137 1061803659 /nfs/dbraw/zinc/80/36/59/1061803659.db2.gz VEVOZRURDMXNSN-OAQYLSRUSA-N 1 1 489.690 2.760 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312321 1061804020 /nfs/dbraw/zinc/80/40/20/1061804020.db2.gz YMFWYXYJUPLJHS-FGZHOGPDSA-N 1 1 487.693 2.967 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001290075236 1061803989 /nfs/dbraw/zinc/80/39/89/1061803989.db2.gz UIXRNPIQQZGLOV-FQEVSTJZSA-N 1 1 490.674 2.510 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290075243 1061804127 /nfs/dbraw/zinc/80/41/27/1061804127.db2.gz UTNDGXZZSTVQNS-GOSISDBHSA-N 1 1 476.572 2.857 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294315169 1061806968 /nfs/dbraw/zinc/80/69/68/1061806968.db2.gz ANTIIJCEODBBAN-NHCUHLMSSA-N 1 1 482.695 2.644 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001294315530 1061807475 /nfs/dbraw/zinc/80/74/75/1061807475.db2.gz KCEATAXXNZNBKU-NCYKPQTJSA-N 1 1 467.680 2.839 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001286979543 1061808096 /nfs/dbraw/zinc/80/80/96/1061808096.db2.gz VIWFFFPBHSWTIZ-SBHAEUEKSA-N 1 1 459.660 2.805 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001294315671 1061808272 /nfs/dbraw/zinc/80/82/72/1061808272.db2.gz COUPAPPLOSJJAL-BHDDXSALSA-N 1 1 487.693 2.767 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001294316065 1061809917 /nfs/dbraw/zinc/80/99/17/1061809917.db2.gz NBXSBOSVMHSZDA-PWRODBHTSA-N 1 1 467.680 2.840 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316807 1061811510 /nfs/dbraw/zinc/81/15/10/1061811510.db2.gz IBLXNDACHGEMMC-NIJXNBFTSA-N 1 1 476.666 2.547 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1)S(C)(=O)=O ZINC001286980329 1061812133 /nfs/dbraw/zinc/81/21/33/1061812133.db2.gz MZKCOKCJFVTXNE-JKSUJKDBSA-N 1 1 453.012 2.513 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1)S(C)(=O)=O ZINC001286980329 1061812147 /nfs/dbraw/zinc/81/21/47/1061812147.db2.gz MZKCOKCJFVTXNE-JKSUJKDBSA-N 1 1 453.012 2.513 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294317022 1061812284 /nfs/dbraw/zinc/81/22/84/1061812284.db2.gz JIXPDXSNNPMXDU-ZRBLBEILSA-N 1 1 476.666 2.715 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294317952 1061816851 /nfs/dbraw/zinc/81/68/51/1061816851.db2.gz ZDDYTJUVYKQQJC-KURKYZTESA-N 1 1 493.596 2.602 20 0 JFADMO Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001290086571 1061818858 /nfs/dbraw/zinc/81/88/58/1061818858.db2.gz SVXSAQYYQULYHT-QFIPXVFZSA-N 1 1 468.646 2.997 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290095442 1061828199 /nfs/dbraw/zinc/82/81/99/1061828199.db2.gz NPHHDYYAEWKUTA-NHCUHLMSSA-N 1 1 454.619 2.753 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286983125 1061831476 /nfs/dbraw/zinc/83/14/76/1061831476.db2.gz XVYXUXFYSGXABG-BDTNDASRSA-N 1 1 490.693 2.540 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001290104657 1061833799 /nfs/dbraw/zinc/83/37/99/1061833799.db2.gz ZBPVRDRWFAJNFC-SFHVURJKSA-N 1 1 460.648 2.596 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294327200 1061841157 /nfs/dbraw/zinc/84/11/57/1061841157.db2.gz UOILHJCBHFAYFO-UNMCSNQZSA-N 1 1 483.661 2.972 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294327200 1061841178 /nfs/dbraw/zinc/84/11/78/1061841178.db2.gz UOILHJCBHFAYFO-UNMCSNQZSA-N 1 1 483.661 2.972 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294330798 1061850825 /nfs/dbraw/zinc/85/08/25/1061850825.db2.gz ANZBLNVHXNQDTA-JTHBVZDNSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294330798 1061850843 /nfs/dbraw/zinc/85/08/43/1061850843.db2.gz ANZBLNVHXNQDTA-JTHBVZDNSA-N 1 1 497.688 2.896 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CC[C@H](Nc4ncccn4)CC3)cc2)CC1 ZINC001294332073 1061857195 /nfs/dbraw/zinc/85/71/95/1061857195.db2.gz JKFHSUSPXVMFMD-AQYVVDRMSA-N 1 1 450.587 2.793 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294332334 1061859061 /nfs/dbraw/zinc/85/90/61/1061859061.db2.gz JHRTYRGYGVUWEZ-FYYLOGMGSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294332334 1061859074 /nfs/dbraw/zinc/85/90/74/1061859074.db2.gz JHRTYRGYGVUWEZ-FYYLOGMGSA-N 1 1 497.688 2.896 20 0 JFADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286987568 1061871374 /nfs/dbraw/zinc/87/13/74/1061871374.db2.gz WZFVBQAFUQLUFN-PZJWPPBQSA-N 1 1 460.667 2.771 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001294340931 1061886201 /nfs/dbraw/zinc/88/62/01/1061886201.db2.gz AULCZKIIEPGRBG-PCCBWWKXSA-N 1 1 468.650 2.988 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294340933 1061886236 /nfs/dbraw/zinc/88/62/36/1061886236.db2.gz AULCZKIIEPGRBG-QHAWAJNXSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1ccccc1[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001290146704 1061889354 /nfs/dbraw/zinc/88/93/54/1061889354.db2.gz YHEHWBHMMQPNEW-IRLDBZIGSA-N 1 1 475.659 2.797 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001290152241 1061894342 /nfs/dbraw/zinc/89/43/42/1061894342.db2.gz GPCHZYZABWZCEA-RUZDIDTESA-N 1 1 457.619 2.530 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001290152241 1061894352 /nfs/dbraw/zinc/89/43/52/1061894352.db2.gz GPCHZYZABWZCEA-RUZDIDTESA-N 1 1 457.619 2.530 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290159534 1061901622 /nfs/dbraw/zinc/90/16/22/1061901622.db2.gz SXDGMRHNHAAIIB-DEOSSOPVSA-N 1 1 482.673 2.719 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001290166208 1061909192 /nfs/dbraw/zinc/90/91/92/1061909192.db2.gz ZHUHIZPMCZHOLI-NRFANRHFSA-N 1 1 456.616 2.786 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)(F)C(F)F ZINC001286996651 1061909469 /nfs/dbraw/zinc/90/94/69/1061909469.db2.gz DSSPMJNSLBGIHV-IBGZPJMESA-N 1 1 451.509 2.794 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001294348884 1061911747 /nfs/dbraw/zinc/91/17/47/1061911747.db2.gz ISXUYXGRISCGKT-OAQYLSRUSA-N 1 1 473.666 2.566 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294349010 1061912562 /nfs/dbraw/zinc/91/25/62/1061912562.db2.gz MTTGHSUOIHWVMQ-SFTDATJTSA-N 1 1 487.693 2.654 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290172952 1061917092 /nfs/dbraw/zinc/91/70/92/1061917092.db2.gz AQAHTTZFBMWHTC-UHFFFAOYSA-N 1 1 481.689 2.508 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290172952 1061917111 /nfs/dbraw/zinc/91/71/11/1061917111.db2.gz AQAHTTZFBMWHTC-UHFFFAOYSA-N 1 1 481.689 2.508 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290172952 1061917124 /nfs/dbraw/zinc/91/71/24/1061917124.db2.gz AQAHTTZFBMWHTC-UHFFFAOYSA-N 1 1 481.689 2.508 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001294358243 1061928742 /nfs/dbraw/zinc/92/87/42/1061928742.db2.gz NOPYABSFNOYNDL-LJQANCHMSA-N 1 1 454.623 2.600 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCn1cc(Cl)cn1 ZINC001287008616 1061935131 /nfs/dbraw/zinc/93/51/31/1061935131.db2.gz ATKBUQWWRPPIHC-HXUWFJFHSA-N 1 1 488.036 2.688 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290198533 1061940024 /nfs/dbraw/zinc/94/00/24/1061940024.db2.gz CGSSBWVIAQPLRE-RTWAWAEBSA-N 1 1 454.619 2.920 20 0 JFADMO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287013525 1061947123 /nfs/dbraw/zinc/94/71/23/1061947123.db2.gz BOYKEQHOSQHVTC-MOPGFXCFSA-N 1 1 474.675 2.989 20 0 JFADMO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287013528 1061947173 /nfs/dbraw/zinc/94/71/73/1061947173.db2.gz BOYKEQHOSQHVTC-RBUKOAKNSA-N 1 1 474.675 2.989 20 0 JFADMO Cc1ccccc1OCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290206910 1061953220 /nfs/dbraw/zinc/95/32/20/1061953220.db2.gz VOSOPWRHSJDBHT-QHAWAJNXSA-N 1 1 470.618 2.552 20 0 JFADMO Cc1ccccc1OCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290206910 1061953242 /nfs/dbraw/zinc/95/32/42/1061953242.db2.gz VOSOPWRHSJDBHT-QHAWAJNXSA-N 1 1 470.618 2.552 20 0 JFADMO Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001290224827 1061973777 /nfs/dbraw/zinc/97/37/77/1061973777.db2.gz YRJXQZWUJAAKAL-QFIPXVFZSA-N 1 1 469.678 2.850 20 0 JFADMO Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001290224824 1061973947 /nfs/dbraw/zinc/97/39/47/1061973947.db2.gz YRJXQZWUJAAKAL-JOCHJYFZSA-N 1 1 469.678 2.850 20 0 JFADMO C[C@@H]1C[N@H+](CCCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413979 1061979367 /nfs/dbraw/zinc/97/93/67/1061979367.db2.gz GIYGWWJBKKEDEX-JQVVWYNYSA-N 1 1 458.603 2.969 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCO1 ZINC001287034559 1061997589 /nfs/dbraw/zinc/99/75/89/1061997589.db2.gz PLGYNBBLPQEDQC-FYYLOGMGSA-N 1 1 471.646 2.998 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCCC2(C)C)C1 ZINC001294453587 1061997918 /nfs/dbraw/zinc/99/79/18/1061997918.db2.gz BEGDJIYXMIKDPL-RTBURBONSA-N 1 1 455.607 2.909 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294453971 1061999415 /nfs/dbraw/zinc/99/94/15/1061999415.db2.gz KPXLEKUGHSPGDO-OAQYLSRUSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2CC)C1 ZINC001294454686 1062000634 /nfs/dbraw/zinc/00/06/34/1062000634.db2.gz AZKXEWXXKIBZEH-MRXNPFEDSA-N 1 1 490.454 2.874 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)C1 ZINC001294454700 1062001015 /nfs/dbraw/zinc/00/10/15/1062001015.db2.gz BEFNFHKOWQLWCJ-ZDUSSCGKSA-N 1 1 480.440 2.509 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455525 1062002317 /nfs/dbraw/zinc/00/23/17/1062002317.db2.gz FIMDUAFPKLCIHF-NBGIEHNGSA-N 1 1 488.681 2.882 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)C1 ZINC001294455712 1062003362 /nfs/dbraw/zinc/00/33/62/1062003362.db2.gz ZFPRLJNDWSNRTH-FQEVSTJZSA-N 1 1 464.618 2.818 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456825 1062004609 /nfs/dbraw/zinc/00/46/09/1062004609.db2.gz KBFFDQCACRUCRV-MSOLQXFVSA-N 1 1 466.627 2.552 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)C1 ZINC001294458612 1062005983 /nfs/dbraw/zinc/00/59/83/1062005983.db2.gz QMKCWSBEOGONSW-AEFFLSMTSA-N 1 1 481.439 2.630 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCO2)C1 ZINC001294459592 1062006558 /nfs/dbraw/zinc/00/65/58/1062006558.db2.gz VAEUVNNTTCFUNX-AZUAARDMSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294460597 1062008788 /nfs/dbraw/zinc/00/87/88/1062008788.db2.gz HGBLIOLEWZJAHR-MRXNPFEDSA-N 1 1 468.524 2.800 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294461106 1062009819 /nfs/dbraw/zinc/00/98/19/1062009819.db2.gz ROURTHCWPWVHRG-MOPGFXCFSA-N 1 1 461.632 2.557 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042117 1062011546 /nfs/dbraw/zinc/01/15/46/1062011546.db2.gz ZSXOCXALTPUEMR-OAQYLSRUSA-N 1 1 474.675 2.647 20 0 JFADMO Cc1cnn(C[C@@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CCO2)c1 ZINC001290281265 1062011950 /nfs/dbraw/zinc/01/19/50/1062011950.db2.gz XPKYMWSJRPQLIF-NRFANRHFSA-N 1 1 455.582 2.759 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001287042287 1062012073 /nfs/dbraw/zinc/01/20/73/1062012073.db2.gz HTUCLZDXTCABBE-UHFFFAOYSA-N 1 1 499.479 2.924 20 0 JFADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287043078 1062013866 /nfs/dbraw/zinc/01/38/66/1062013866.db2.gz NTQYAJBICNTHMP-HNNXBMFYSA-N 1 1 499.479 2.781 20 0 JFADMO Cc1cnn(CCn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001290286006 1062013871 /nfs/dbraw/zinc/01/38/71/1062013871.db2.gz NEXJNCYLMHYMME-UHFFFAOYSA-N 1 1 455.582 2.760 20 0 JFADMO Cc1cnn(CCn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001290286006 1062013895 /nfs/dbraw/zinc/01/38/95/1062013895.db2.gz NEXJNCYLMHYMME-UHFFFAOYSA-N 1 1 455.582 2.760 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466694 1062015778 /nfs/dbraw/zinc/01/57/78/1062015778.db2.gz CPURUORAXJHOSE-WOJBJXKFSA-N 1 1 480.654 2.791 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468085 1062018096 /nfs/dbraw/zinc/01/80/96/1062018096.db2.gz KJZLOKKXOPSOJI-OALUTQOASA-N 1 1 453.653 2.655 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468735 1062018956 /nfs/dbraw/zinc/01/89/56/1062018956.db2.gz PBPAVIWDRMKTDY-LEWJYISDSA-N 1 1 462.639 2.819 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468770 1062019467 /nfs/dbraw/zinc/01/94/67/1062019467.db2.gz PUDHIOJYRNDOBS-RTBURBONSA-N 1 1 478.688 2.514 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287044501 1062019680 /nfs/dbraw/zinc/01/96/80/1062019680.db2.gz DLQDVSUMPCDKEN-VXKWHMMOSA-N 1 1 484.645 2.680 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469112 1062020703 /nfs/dbraw/zinc/02/07/03/1062020703.db2.gz UUVUGWDYDJHGDM-QYZOEREBSA-N 1 1 477.654 2.653 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)C1 ZINC001294469516 1062022239 /nfs/dbraw/zinc/02/22/39/1062022239.db2.gz AIBAKDARDWLRQT-QGZVFWFLSA-N 1 1 458.998 2.855 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)cc(OC)c2)C1 ZINC001294469521 1062022338 /nfs/dbraw/zinc/02/23/38/1062022338.db2.gz AJSJAXMQTWYUKN-FQEVSTJZSA-N 1 1 454.619 2.934 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294469721 1062022990 /nfs/dbraw/zinc/02/29/90/1062022990.db2.gz GBSQKETZZDJDKV-MOPGFXCFSA-N 1 1 479.622 2.599 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCOCC2)C1 ZINC001294470823 1062024948 /nfs/dbraw/zinc/02/49/48/1062024948.db2.gz NINNBCANDULBTC-NJDAHSKKSA-N 1 1 463.667 2.906 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)C1 ZINC001294470811 1062025083 /nfs/dbraw/zinc/02/50/83/1062025083.db2.gz NEVYZVOAOMMXPB-NRFANRHFSA-N 1 1 470.666 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)C1 ZINC001294472204 1062025540 /nfs/dbraw/zinc/02/55/40/1062025540.db2.gz TXMZVCHNUTXJSI-FQEVSTJZSA-N 1 1 452.607 2.760 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001294474146 1062026969 /nfs/dbraw/zinc/02/69/69/1062026969.db2.gz NGNMMQFTFYCIDF-UGKGYDQZSA-N 1 1 468.646 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001294474745 1062027489 /nfs/dbraw/zinc/02/74/89/1062027489.db2.gz QWSXLIMJIMTBKS-FQEVSTJZSA-N 1 1 474.675 2.789 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001287046497 1062028782 /nfs/dbraw/zinc/02/87/82/1062028782.db2.gz RUEHDXLJZOTOGT-RBUKOAKNSA-N 1 1 470.609 2.796 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476084 1062028927 /nfs/dbraw/zinc/02/89/27/1062028927.db2.gz YZHRGRKHWUHJAL-PZJWPPBQSA-N 1 1 495.594 2.695 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476086 1062029041 /nfs/dbraw/zinc/02/90/41/1062029041.db2.gz YZHRGRKHWUHJAL-TZIWHRDSSA-N 1 1 495.594 2.695 20 0 JFADMO CCCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294479337 1062030302 /nfs/dbraw/zinc/03/03/02/1062030302.db2.gz GBNHMFAZJCPHSX-UHFFFAOYSA-N 1 1 450.591 2.736 20 0 JFADMO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001290304405 1062031511 /nfs/dbraw/zinc/03/15/11/1062031511.db2.gz KRYQGBCLRJNDCP-QFIPXVFZSA-N 1 1 466.586 2.530 20 0 JFADMO Cc1coc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290305574 1062032793 /nfs/dbraw/zinc/03/27/93/1062032793.db2.gz YRFZIOZXDZRQSU-HDICACEKSA-N 1 1 467.574 2.729 20 0 JFADMO Cc1coc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290305574 1062032817 /nfs/dbraw/zinc/03/28/17/1062032817.db2.gz YRFZIOZXDZRQSU-HDICACEKSA-N 1 1 467.574 2.729 20 0 JFADMO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001294496771 1062034235 /nfs/dbraw/zinc/03/42/35/1062034235.db2.gz AYSYJOUOUBBDSJ-VQTJNVASSA-N 1 1 480.654 2.791 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287048374 1062037708 /nfs/dbraw/zinc/03/77/08/1062037708.db2.gz WQMSYHNPPGFSQA-GOSISDBHSA-N 1 1 458.582 2.976 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294506194 1062043150 /nfs/dbraw/zinc/04/31/50/1062043150.db2.gz HPNISCNTFRDAIX-INIZCTEOSA-N 1 1 494.413 2.792 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320769 1062046159 /nfs/dbraw/zinc/04/61/59/1062046159.db2.gz UGTBIZRKZXVCOE-PQNGQFLHSA-N 1 1 458.622 2.829 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320769 1062046180 /nfs/dbraw/zinc/04/61/80/1062046180.db2.gz UGTBIZRKZXVCOE-PQNGQFLHSA-N 1 1 458.622 2.829 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001294515141 1062050989 /nfs/dbraw/zinc/05/09/89/1062050989.db2.gz DMIPBWFONURZFJ-FQEVSTJZSA-N 1 1 454.627 2.535 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294519364 1062055947 /nfs/dbraw/zinc/05/59/47/1062055947.db2.gz DCWMLUZJRRIMEP-VQTJNVASSA-N 1 1 492.665 2.766 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294519382 1062056020 /nfs/dbraw/zinc/05/60/20/1062056020.db2.gz DJUOIJQJGXCKOU-QFIPXVFZSA-N 1 1 488.702 2.856 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001294520998 1062056602 /nfs/dbraw/zinc/05/66/02/1062056602.db2.gz LDIOZBWPLXKTEX-SLFFLAALSA-N 1 1 478.638 2.686 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294520985 1062056783 /nfs/dbraw/zinc/05/67/83/1062056783.db2.gz CIYWRAKMZJVXOE-MRXNPFEDSA-N 1 1 476.423 2.653 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001294521977 1062057905 /nfs/dbraw/zinc/05/79/05/1062057905.db2.gz IXTHDAQOAMMPRB-OAQYLSRUSA-N 1 1 492.665 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cnccn2)CC1 ZINC001294523545 1062059839 /nfs/dbraw/zinc/05/98/39/1062059839.db2.gz WJSJBLXOFJHUFM-UHFFFAOYSA-N 1 1 452.582 2.857 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001294524842 1062062522 /nfs/dbraw/zinc/06/25/22/1062062522.db2.gz SHZIAERVKFZBLS-LJQANCHMSA-N 1 1 496.081 2.730 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001294529253 1062065485 /nfs/dbraw/zinc/06/54/85/1062065485.db2.gz WQEAOVIHXGELRV-RBBKRZOGSA-N 1 1 454.619 2.954 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294529255 1062065754 /nfs/dbraw/zinc/06/57/54/1062065754.db2.gz WRJWQQHKWABEAE-UHFFFAOYSA-N 1 1 497.644 2.726 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294529781 1062066349 /nfs/dbraw/zinc/06/63/49/1062066349.db2.gz QCEXSRSKOOPHBW-NHCUHLMSSA-N 1 1 498.738 2.789 20 0 JFADMO Cc1cscc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001290355042 1062066292 /nfs/dbraw/zinc/06/62/92/1062066292.db2.gz INJDMGRLQLVOST-UHFFFAOYSA-N 1 1 469.615 2.891 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001290355253 1062067534 /nfs/dbraw/zinc/06/75/34/1062067534.db2.gz YYQRYOIQODIYIO-MJGOQNOKSA-N 1 1 474.679 2.628 20 0 JFADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001294541795 1062072918 /nfs/dbraw/zinc/07/29/18/1062072918.db2.gz IXLDGULZKQEYGF-QPXQOZNCSA-N 1 1 459.612 2.635 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287056263 1062075603 /nfs/dbraw/zinc/07/56/03/1062075603.db2.gz APYJIPRYJBVMAM-SFTDATJTSA-N 1 1 485.633 2.680 20 0 JFADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372392 1062076564 /nfs/dbraw/zinc/07/65/64/1062076564.db2.gz MHEPTDZWSXKZBE-SJORKVTESA-N 1 1 454.017 2.945 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@H]2CN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)C[C@H]2C1 ZINC001287056870 1062078742 /nfs/dbraw/zinc/07/87/42/1062078742.db2.gz MNCKJOJABOWEJH-KDURUIRLSA-N 1 1 476.666 2.990 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@H]2CN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)C[C@H]2C1 ZINC001287056870 1062078763 /nfs/dbraw/zinc/07/87/63/1062078763.db2.gz MNCKJOJABOWEJH-KDURUIRLSA-N 1 1 476.666 2.990 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287057439 1062081472 /nfs/dbraw/zinc/08/14/72/1062081472.db2.gz OKPAHCZIOKJCFX-VQTJNVASSA-N 1 1 462.639 2.886 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001294564421 1062081843 /nfs/dbraw/zinc/08/18/43/1062081843.db2.gz QZAUZOJCPBUFBX-QGZVFWFLSA-N 1 1 451.409 2.652 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287058493 1062085355 /nfs/dbraw/zinc/08/53/55/1062085355.db2.gz ZCQSXSMHAHCGSF-HKBOAZHASA-N 1 1 492.665 2.860 20 0 JFADMO CCCN(CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294585734 1062097132 /nfs/dbraw/zinc/09/71/32/1062097132.db2.gz QMFXNNRUPGFLKZ-LJQANCHMSA-N 1 1 477.654 2.578 20 0 JFADMO CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294586143 1062098008 /nfs/dbraw/zinc/09/80/08/1062098008.db2.gz UYHMLEXUDQPJLH-VQTJNVASSA-N 1 1 480.654 2.586 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287061658 1062098597 /nfs/dbraw/zinc/09/85/97/1062098597.db2.gz MMAZBDJFOQYZFQ-RBBKRZOGSA-N 1 1 499.660 2.928 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001290400206 1062101043 /nfs/dbraw/zinc/10/10/43/1062101043.db2.gz CDZDTSQWQYZWOH-UHFFFAOYSA-N 1 1 462.664 2.998 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001290400206 1062101048 /nfs/dbraw/zinc/10/10/48/1062101048.db2.gz CDZDTSQWQYZWOH-UHFFFAOYSA-N 1 1 462.664 2.998 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290400245 1062102064 /nfs/dbraw/zinc/10/20/64/1062102064.db2.gz CSQUOSSFSYILLC-QRVBRYPASA-N 1 1 461.680 2.664 20 0 JFADMO CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001294608291 1062117773 /nfs/dbraw/zinc/11/77/73/1062117773.db2.gz NEVIEPPTRYLZOQ-SFHVURJKSA-N 1 1 463.652 2.585 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290410479 1062127195 /nfs/dbraw/zinc/12/71/95/1062127195.db2.gz DUSBQKWAIJFJEC-GOEBONIOSA-N 1 1 485.580 2.623 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290413199 1062131922 /nfs/dbraw/zinc/13/19/22/1062131922.db2.gz BVVACHAXLGJLAW-ABSDTBQOSA-N 1 1 459.664 2.811 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CCC(N)=O)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001290417293 1062143942 /nfs/dbraw/zinc/14/39/42/1062143942.db2.gz IGJMHRGDDGVZNJ-GOSISDBHSA-N 1 1 489.690 2.617 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001294638124 1062153017 /nfs/dbraw/zinc/15/30/17/1062153017.db2.gz NAHXUJREDSTRCP-UNMCSNQZSA-N 1 1 470.618 2.731 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@@H]2CC)C1 ZINC001294639844 1062156493 /nfs/dbraw/zinc/15/64/93/1062156493.db2.gz XUWXAGXZOZGVKN-QYZOEREBSA-N 1 1 452.669 2.779 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294640846 1062158387 /nfs/dbraw/zinc/15/83/87/1062158387.db2.gz GSKOHVJDNLLLDK-DOTOQJQBSA-N 1 1 499.479 2.781 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC001294640819 1062158567 /nfs/dbraw/zinc/15/85/67/1062158567.db2.gz GFEWZNPWQBKFTA-RZUBCFFCSA-N 1 1 490.674 2.588 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294640779 1062158601 /nfs/dbraw/zinc/15/86/01/1062158601.db2.gz FMWCOZYPPHETCG-MRXNPFEDSA-N 1 1 461.408 2.766 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294640848 1062158660 /nfs/dbraw/zinc/15/86/60/1062158660.db2.gz GSKOHVJDNLLLDK-RDJZCZTQSA-N 1 1 499.479 2.781 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001290422220 1062161634 /nfs/dbraw/zinc/16/16/34/1062161634.db2.gz WNYSFSIUXKVETK-VQIMIIECSA-N 1 1 480.704 2.768 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641302 1062162010 /nfs/dbraw/zinc/16/20/10/1062162010.db2.gz LUCOUFWDKIYMCY-FMWKFLBASA-N 1 1 478.638 2.562 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641305 1062162145 /nfs/dbraw/zinc/16/21/45/1062162145.db2.gz LUCOUFWDKIYMCY-VURPSTOHSA-N 1 1 478.638 2.562 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294642235 1062165445 /nfs/dbraw/zinc/16/54/45/1062165445.db2.gz TTZLTUBGFVCYMD-HLAWJBBLSA-N 1 1 488.608 2.630 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@H+](C)Cc2ccccc2)cs1 ZINC001290424090 1062166607 /nfs/dbraw/zinc/16/66/07/1062166607.db2.gz PUSRHYHNRCBZAB-HXUWFJFHSA-N 1 1 467.643 2.858 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(N2CC[C@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001287068039 1062168478 /nfs/dbraw/zinc/16/84/78/1062168478.db2.gz GMSLJGBTNCAMRQ-GOSISDBHSA-N 1 1 450.628 2.649 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)COc3ccc(N4CCCC4=O)cc3)C2)cc(OC)c1 ZINC001294645113 1062170843 /nfs/dbraw/zinc/17/08/43/1062170843.db2.gz KUAUJOMOFQUMNP-LJQANCHMSA-N 1 1 453.539 2.600 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)COc3ccc(N4CCCC4=O)cc3)C2)cc(OC)c1 ZINC001294645113 1062170857 /nfs/dbraw/zinc/17/08/57/1062170857.db2.gz KUAUJOMOFQUMNP-LJQANCHMSA-N 1 1 453.539 2.600 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645484 1062171667 /nfs/dbraw/zinc/17/16/67/1062171667.db2.gz MSFIMTMQAVXSIV-BWKNWUBXSA-N 1 1 451.567 2.930 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645484 1062171691 /nfs/dbraw/zinc/17/16/91/1062171691.db2.gz MSFIMTMQAVXSIV-BWKNWUBXSA-N 1 1 451.567 2.930 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174138 /nfs/dbraw/zinc/17/41/38/1062174138.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174150 /nfs/dbraw/zinc/17/41/50/1062174150.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174198 /nfs/dbraw/zinc/17/41/98/1062174198.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174200 /nfs/dbraw/zinc/17/42/00/1062174200.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174233 /nfs/dbraw/zinc/17/42/33/1062174233.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174244 /nfs/dbraw/zinc/17/42/44/1062174244.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294646509 1062176296 /nfs/dbraw/zinc/17/62/96/1062176296.db2.gz LJMLIXSQEIGLCV-RXVVDRJESA-N 1 1 461.632 2.699 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646668 1062177551 /nfs/dbraw/zinc/17/75/51/1062177551.db2.gz NJANAYVORCTGRH-OAQYLSRUSA-N 1 1 474.675 2.711 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)CN2CCOCC2)cs1 ZINC001290428128 1062179676 /nfs/dbraw/zinc/17/96/76/1062179676.db2.gz DWCHMSOPJGCABC-LJQANCHMSA-N 1 1 461.680 2.523 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294648008 1062185829 /nfs/dbraw/zinc/18/58/29/1062185829.db2.gz XOESOXVLBXVCOG-LJQANCHMSA-N 1 1 490.674 2.546 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001294648925 1062189010 /nfs/dbraw/zinc/18/90/10/1062189010.db2.gz LLRWQQVOWIBFOB-AVRWGWEMSA-N 1 1 470.618 2.657 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 ZINC001294648646 1062189074 /nfs/dbraw/zinc/18/90/74/1062189074.db2.gz LDOFZVVXNJDFMF-OPYAIIAOSA-N 1 1 478.638 2.722 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001294648912 1062190295 /nfs/dbraw/zinc/19/02/95/1062190295.db2.gz XMCVWBITFZUEJX-UXHICEINSA-N 1 1 492.665 2.924 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001290431742 1062193087 /nfs/dbraw/zinc/19/30/87/1062193087.db2.gz JKYDDKAICBMNSV-MJGOQNOKSA-N 1 1 459.664 2.669 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001294649717 1062193381 /nfs/dbraw/zinc/19/33/81/1062193381.db2.gz PPFYFZRDNGJQGK-AWEZNQCLSA-N 1 1 467.437 2.779 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001294649942 1062193452 /nfs/dbraw/zinc/19/34/52/1062193452.db2.gz FPUWLPWWMNLDNT-RBUKOAKNSA-N 1 1 451.619 2.987 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294651798 1062198011 /nfs/dbraw/zinc/19/80/11/1062198011.db2.gz SMNJGZUIXGXOPQ-UYAOXDASSA-N 1 1 472.638 2.904 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655717 1062200287 /nfs/dbraw/zinc/20/02/87/1062200287.db2.gz BZCSKJPMMLXXJV-NHCUHLMSSA-N 1 1 475.659 2.947 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001290435211 1062203372 /nfs/dbraw/zinc/20/33/72/1062203372.db2.gz KCQGNROOSGUHLH-MRXNPFEDSA-N 1 1 453.607 2.753 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658494 1062206082 /nfs/dbraw/zinc/20/60/82/1062206082.db2.gz QXBSATXLRRINLH-WOJBJXKFSA-N 1 1 467.618 2.653 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001294659031 1062206513 /nfs/dbraw/zinc/20/65/13/1062206513.db2.gz RXZKJNFIJJJICU-VQTJNVASSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001294659400 1062207327 /nfs/dbraw/zinc/20/73/27/1062207327.db2.gz UWTUEQBXGDKYPL-ACRUOGEOSA-N 1 1 492.665 2.791 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H]2CCOC2)C1 ZINC001294659401 1062207863 /nfs/dbraw/zinc/20/78/63/1062207863.db2.gz UWTUEQBXGDKYPL-HBMCJLEFSA-N 1 1 492.665 2.791 20 0 JFADMO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290440472 1062209197 /nfs/dbraw/zinc/20/91/97/1062209197.db2.gz CFMOXMJGRBAWRQ-JQVVWYNYSA-N 1 1 492.690 2.763 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC)nnc2N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 ZINC001294660369 1062209609 /nfs/dbraw/zinc/20/96/09/1062209609.db2.gz CFPKQBNWMRZZLG-QFIPXVFZSA-N 1 1 467.662 2.950 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294661534 1062212207 /nfs/dbraw/zinc/21/22/07/1062212207.db2.gz QEDSFLGZUYVPNO-HXUWFJFHSA-N 1 1 492.665 2.600 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001287073404 1062212578 /nfs/dbraw/zinc/21/25/78/1062212578.db2.gz JYVDTLCJHOFVIH-NRFANRHFSA-N 1 1 488.608 2.834 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294661826 1062212906 /nfs/dbraw/zinc/21/29/06/1062212906.db2.gz WVXRIPWLZBYEBZ-IEBWSBKVSA-N 1 1 460.573 2.936 20 0 JFADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)no1 ZINC001290441950 1062213792 /nfs/dbraw/zinc/21/37/92/1062213792.db2.gz PTXRUWLGTPGIPJ-SVFBPWRDSA-N 1 1 486.665 2.935 20 0 JFADMO Cc1nc(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCn2cc[nH+]c2C)cs1 ZINC001290442044 1062214892 /nfs/dbraw/zinc/21/48/92/1062214892.db2.gz VHHRFPMRDJQNHJ-MRXNPFEDSA-N 1 1 455.510 2.997 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215768 /nfs/dbraw/zinc/21/57/68/1062215768.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215788 /nfs/dbraw/zinc/21/57/88/1062215788.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294665623 1062218071 /nfs/dbraw/zinc/21/80/71/1062218071.db2.gz ZRQKUGIBCZPTIO-QUCCMNQESA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294667381 1062221630 /nfs/dbraw/zinc/22/16/30/1062221630.db2.gz ZEHRZBBQFRIVRQ-PMACEKPBSA-N 1 1 470.618 2.655 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667540 1062223228 /nfs/dbraw/zinc/22/32/28/1062223228.db2.gz APCIEFTWTNFPNS-YADHBBJMSA-N 1 1 459.660 2.809 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(=O)NC)C2)C1 ZINC001294669849 1062226105 /nfs/dbraw/zinc/22/61/05/1062226105.db2.gz MHWSKPWIXQPPRA-UWHLTILDSA-N 1 1 460.667 2.891 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001294670660 1062228864 /nfs/dbraw/zinc/22/88/64/1062228864.db2.gz UBCSYXWDXLNPNU-HXUWFJFHSA-N 1 1 454.619 2.957 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294672069 1062231424 /nfs/dbraw/zinc/23/14/24/1062231424.db2.gz XMSOJVHQXVLIKN-UXHICEINSA-N 1 1 462.639 2.692 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001294683616 1062243068 /nfs/dbraw/zinc/24/30/68/1062243068.db2.gz JYPFZPULYXZWPZ-WOJBJXKFSA-N 1 1 459.664 2.904 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)[NH+]1CCOCC1 ZINC001290465221 1062249998 /nfs/dbraw/zinc/24/99/98/1062249998.db2.gz HXJIEGDMXZJRPN-WOJBJXKFSA-N 1 1 453.624 2.656 20 0 JFADMO CCC(CC)[C@H](CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)[NH+]1CCOCC1 ZINC001290465220 1062250341 /nfs/dbraw/zinc/25/03/41/1062250341.db2.gz HXJIEGDMXZJRPN-VQTJNVASSA-N 1 1 453.624 2.656 20 0 JFADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294694539 1062254106 /nfs/dbraw/zinc/25/41/06/1062254106.db2.gz KJJUWSPGPFARGR-NHCUHLMSSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294694539 1062254129 /nfs/dbraw/zinc/25/41/29/1062254129.db2.gz KJJUWSPGPFARGR-NHCUHLMSSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001294694489 1062254731 /nfs/dbraw/zinc/25/47/31/1062254731.db2.gz UPCXCXUCZUVBMK-UXHICEINSA-N 1 1 456.639 2.798 20 0 JFADMO Cc1nc(CN2CCCN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)no1 ZINC001290468635 1062255150 /nfs/dbraw/zinc/25/51/50/1062255150.db2.gz PWVFONXYLDWDIK-UHFFFAOYSA-N 1 1 486.596 2.740 20 0 JFADMO Cc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)cs1 ZINC001290469267 1062258366 /nfs/dbraw/zinc/25/83/66/1062258366.db2.gz XFJPLQXCVHSNGC-FQEVSTJZSA-N 1 1 488.706 2.624 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294697592 1062259554 /nfs/dbraw/zinc/25/95/54/1062259554.db2.gz HZWUOXVCMHKCQL-JTHBVZDNSA-N 1 1 496.704 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294698214 1062260770 /nfs/dbraw/zinc/26/07/70/1062260770.db2.gz IYOIIFAKBNJJOU-FQEVSTJZSA-N 1 1 457.623 2.517 20 0 JFADMO Cc1nc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)cs1 ZINC001290470082 1062260898 /nfs/dbraw/zinc/26/08/98/1062260898.db2.gz ZMLDTSPOOPOVOI-DNVCBOLYSA-N 1 1 492.675 2.980 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOCC1 ZINC001294698210 1062261092 /nfs/dbraw/zinc/26/10/92/1062261092.db2.gz IWZDQIIWWBJFHR-NRFANRHFSA-N 1 1 456.635 2.987 20 0 JFADMO Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)CC2)cs1 ZINC001290470221 1062261614 /nfs/dbraw/zinc/26/16/14/1062261614.db2.gz YSIMPSSRNYTOKJ-UHFFFAOYSA-N 1 1 481.692 2.552 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294699320 1062263321 /nfs/dbraw/zinc/26/33/21/1062263321.db2.gz OREQPDUVAQPQKG-WOJBJXKFSA-N 1 1 458.611 2.658 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001294699628 1062264240 /nfs/dbraw/zinc/26/42/40/1062264240.db2.gz RDWVETUHTPXXKP-QGZVFWFLSA-N 1 1 473.622 2.621 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294699921 1062265212 /nfs/dbraw/zinc/26/52/12/1062265212.db2.gz PZFLOWZOAAXYSJ-SFHVURJKSA-N 1 1 461.014 2.719 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294701051 1062266568 /nfs/dbraw/zinc/26/65/68/1062266568.db2.gz ZWNWXIMEXUYXAS-HXUWFJFHSA-N 1 1 452.669 2.718 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 ZINC001294707701 1062271842 /nfs/dbraw/zinc/27/18/42/1062271842.db2.gz FUUIBGZXPKXSSU-GOSISDBHSA-N 1 1 491.434 2.820 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294707720 1062271882 /nfs/dbraw/zinc/27/18/82/1062271882.db2.gz AIOBDAOTUODWEQ-MOPGFXCFSA-N 1 1 458.582 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294707880 1062272920 /nfs/dbraw/zinc/27/29/20/1062272920.db2.gz BTAWIJKFIBSYRC-ZEVJAHDQSA-N 1 1 490.693 2.936 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294708107 1062273358 /nfs/dbraw/zinc/27/33/58/1062273358.db2.gz CIDWYPWQDHQBFF-SFHLNBCPSA-N 1 1 489.592 2.621 20 0 JFADMO CC(C)(Cn1c(-c2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001287088960 1062273465 /nfs/dbraw/zinc/27/34/65/1062273465.db2.gz UQSGDBJYEMSKJG-UHFFFAOYSA-N 1 1 458.582 2.677 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708585 1062275417 /nfs/dbraw/zinc/27/54/17/1062275417.db2.gz SMQYPJUZHFMSKO-IRLDBZIGSA-N 1 1 496.722 2.687 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294708890 1062276330 /nfs/dbraw/zinc/27/63/30/1062276330.db2.gz SNDWKTKNRNPWNU-NTKDMRAZSA-N 1 1 459.639 2.556 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294709419 1062277700 /nfs/dbraw/zinc/27/77/00/1062277700.db2.gz LOEZQHPOEPDUQQ-CTNGQTDRSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294709504 1062277782 /nfs/dbraw/zinc/27/77/82/1062277782.db2.gz MTCWKBOVQAIESD-HXUWFJFHSA-N 1 1 461.632 2.665 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001294710788 1062278841 /nfs/dbraw/zinc/27/88/41/1062278841.db2.gz MHZKQXAZTLBCRK-HXUWFJFHSA-N 1 1 486.646 2.937 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294712705 1062283360 /nfs/dbraw/zinc/28/33/60/1062283360.db2.gz STRWRMIJTHHSFX-SLFFLAALSA-N 1 1 453.653 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294713391 1062285532 /nfs/dbraw/zinc/28/55/32/1062285532.db2.gz VTRGGFPRIHCHAC-YOSAUDMPSA-N 1 1 463.623 2.584 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294713611 1062286956 /nfs/dbraw/zinc/28/69/56/1062286956.db2.gz ZSSVJJXFEFKPAC-UXHICEINSA-N 1 1 489.665 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713617 1062287540 /nfs/dbraw/zinc/28/75/40/1062287540.db2.gz ZTGQBKDCJAIRGQ-WOJBJXKFSA-N 1 1 463.623 2.896 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713616 1062287800 /nfs/dbraw/zinc/28/78/00/1062287800.db2.gz ZTGQBKDCJAIRGQ-VQTJNVASSA-N 1 1 463.623 2.896 20 0 JFADMO Cc1ncc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001290497254 1062288899 /nfs/dbraw/zinc/28/88/99/1062288899.db2.gz FPDKVQNUYUFTFC-IXFSTUDKSA-N 1 1 478.663 2.677 20 0 JFADMO Cc1ncc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001290497254 1062288923 /nfs/dbraw/zinc/28/89/23/1062288923.db2.gz FPDKVQNUYUFTFC-IXFSTUDKSA-N 1 1 478.663 2.677 20 0 JFADMO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001294719507 1062293311 /nfs/dbraw/zinc/29/33/11/1062293311.db2.gz GOWYXGYBHYMHFL-HFZDXXHNSA-N 1 1 490.693 2.889 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@@H]2C)cc1F ZINC001290502055 1062296721 /nfs/dbraw/zinc/29/67/21/1062296721.db2.gz VTRJIMJUVBMVLJ-JYJNAYRXSA-N 1 1 475.594 2.805 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC3CCCC3)nnc2N(C)CCNS(C)(=O)=O)cc1F ZINC001290502971 1062298493 /nfs/dbraw/zinc/29/84/93/1062298493.db2.gz BOMMTPGCJZXZII-UHFFFAOYSA-N 1 1 489.621 2.678 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001290502970 1062298705 /nfs/dbraw/zinc/29/87/05/1062298705.db2.gz BOMLXTCJRTVKIX-MRXNPFEDSA-N 1 1 462.533 2.646 20 0 JFADMO CCCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001294722001 1062299165 /nfs/dbraw/zinc/29/91/65/1062299165.db2.gz QHQDHWWNGKTXIG-UHFFFAOYSA-N 1 1 490.450 2.757 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001290503984 1062300424 /nfs/dbraw/zinc/30/04/24/1062300424.db2.gz OXMHGOUTMOESDF-MRXNPFEDSA-N 1 1 475.594 2.575 20 0 JFADMO CC(C)(O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287097526 1062303345 /nfs/dbraw/zinc/30/33/45/1062303345.db2.gz YAZRRKBSCMTOHD-UHFFFAOYSA-N 1 1 477.679 2.710 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290507167 1062304642 /nfs/dbraw/zinc/30/46/42/1062304642.db2.gz JUTLYGYAWCWQSX-QGZVFWFLSA-N 1 1 455.538 2.648 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507566 1062305322 /nfs/dbraw/zinc/30/53/22/1062305322.db2.gz NDNHYFXJEKSJNA-FXAWDEMLSA-N 1 1 487.630 2.612 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001290508462 1062307501 /nfs/dbraw/zinc/30/75/01/1062307501.db2.gz UJAUHANJAXLALZ-SFHVURJKSA-N 1 1 476.578 2.605 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294728835 1062309637 /nfs/dbraw/zinc/30/96/37/1062309637.db2.gz BIJRNDBSCVOUEP-IRLDBZIGSA-N 1 1 481.645 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001290511339 1062310197 /nfs/dbraw/zinc/31/01/97/1062310197.db2.gz RGVDHAXNKVSRFS-INIZCTEOSA-N 1 1 489.422 2.733 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001290511389 1062310859 /nfs/dbraw/zinc/31/08/59/1062310859.db2.gz SUZYAHVBVPNEOR-TXPKVOOTSA-N 1 1 493.659 2.511 20 0 JFADMO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001287104486 1062316143 /nfs/dbraw/zinc/31/61/43/1062316143.db2.gz KZDLTHWQLCJBCC-JOCHJYFZSA-N 1 1 453.635 2.928 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001290515560 1062316298 /nfs/dbraw/zinc/31/62/98/1062316298.db2.gz LOCBRDIKFFWZCD-QGZVFWFLSA-N 1 1 464.542 2.690 20 0 JFADMO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001287104488 1062316656 /nfs/dbraw/zinc/31/66/56/1062316656.db2.gz KZDLTHWQLCJBCC-QFIPXVFZSA-N 1 1 453.635 2.928 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001294734311 1062317208 /nfs/dbraw/zinc/31/72/08/1062317208.db2.gz SQQFCBYTIXPHJT-QHCPKHFHSA-N 1 1 486.636 2.814 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001294734262 1062317305 /nfs/dbraw/zinc/31/73/05/1062317305.db2.gz RDSFVUNWPXBJBW-JOCHJYFZSA-N 1 1 486.636 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290517228 1062317889 /nfs/dbraw/zinc/31/78/89/1062317889.db2.gz BJMBKDNKKOZAPD-HKUYNNGSSA-N 1 1 486.621 2.612 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001290518035 1062319166 /nfs/dbraw/zinc/31/91/66/1062319166.db2.gz SUKCREXXQNKRFD-UHFFFAOYSA-N 1 1 489.621 2.821 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001290518181 1062319580 /nfs/dbraw/zinc/31/95/80/1062319580.db2.gz YNDJWUIMQAAXMA-IYBDPMFKSA-N 1 1 457.966 2.680 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001290521059 1062320902 /nfs/dbraw/zinc/32/09/02/1062320902.db2.gz HFDNOGMZWDIBKR-RDTXWAMCSA-N 1 1 498.531 2.710 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC(F)C1 ZINC001290521966 1062322526 /nfs/dbraw/zinc/32/25/26/1062322526.db2.gz RLVHLCNRDVMRRY-UHFFFAOYSA-N 1 1 475.594 2.585 20 0 JFADMO CCCN1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001294740692 1062324762 /nfs/dbraw/zinc/32/47/62/1062324762.db2.gz PPNPFLAYTPHZKU-XMMPIXPASA-N 1 1 482.673 2.869 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001290525024 1062327781 /nfs/dbraw/zinc/32/77/81/1062327781.db2.gz UWJQXCNSTCTXMK-HXUWFJFHSA-N 1 1 450.591 2.600 20 0 JFADMO C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@@H]1C[N@H+](C)CCO1 ZINC001294742601 1062329466 /nfs/dbraw/zinc/32/94/66/1062329466.db2.gz RUOSUGDTDJFBBX-GUYCJALGSA-N 1 1 450.333 2.768 20 0 JFADMO C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC001294742601 1062329485 /nfs/dbraw/zinc/32/94/85/1062329485.db2.gz RUOSUGDTDJFBBX-GUYCJALGSA-N 1 1 450.333 2.768 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001294743550 1062332269 /nfs/dbraw/zinc/33/22/69/1062332269.db2.gz CCQZFUPXLDTGBP-FPOVZHCZSA-N 1 1 476.666 2.845 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001294744218 1062335049 /nfs/dbraw/zinc/33/50/49/1062335049.db2.gz OUFLGGPMRNMUHM-RXVVDRJESA-N 1 1 488.658 2.762 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744757 1062336431 /nfs/dbraw/zinc/33/64/31/1062336431.db2.gz CITYHHSYUNTTNN-SFHVURJKSA-N 1 1 482.448 2.817 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294744718 1062336648 /nfs/dbraw/zinc/33/66/48/1062336648.db2.gz AZZUJZAMBHPUNK-ZBFHGGJFSA-N 1 1 464.412 2.577 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001294744858 1062337059 /nfs/dbraw/zinc/33/70/59/1062337059.db2.gz GJCQHBVZSFSZBV-HKUYNNGSSA-N 1 1 450.591 2.910 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287114607 1062337745 /nfs/dbraw/zinc/33/77/45/1062337745.db2.gz MEPWCCLJSNDLFS-JOCHJYFZSA-N 1 1 495.672 2.616 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294745686 1062338258 /nfs/dbraw/zinc/33/82/58/1062338258.db2.gz UJMGXAGJMCIUGP-YZGWKJHDSA-N 1 1 461.994 2.833 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294749449 1062340008 /nfs/dbraw/zinc/34/00/08/1062340008.db2.gz KKINUKUVGSIQSE-MOPGFXCFSA-N 1 1 456.591 2.538 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001287115110 1062340295 /nfs/dbraw/zinc/34/02/95/1062340295.db2.gz AXODFMFTSQNHIN-QFIPXVFZSA-N 1 1 499.635 2.526 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001290541371 1062341406 /nfs/dbraw/zinc/34/14/06/1062341406.db2.gz FIQBVFRDHSXRAL-QGZVFWFLSA-N 1 1 465.606 2.644 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294752987 1062341878 /nfs/dbraw/zinc/34/18/78/1062341878.db2.gz FGPYKXMRVXVPJM-HBFSDRIKSA-N 1 1 470.622 2.959 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294753556 1062341972 /nfs/dbraw/zinc/34/19/72/1062341972.db2.gz NXUCUAREGLNOLC-MOPGFXCFSA-N 1 1 458.611 2.656 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001294753615 1062342647 /nfs/dbraw/zinc/34/26/47/1062342647.db2.gz OYNLZOODQZITQR-QUCCMNQESA-N 1 1 452.669 2.528 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001294753889 1062342892 /nfs/dbraw/zinc/34/28/92/1062342892.db2.gz RVNMJRMFDQWHJL-HSALFYBXSA-N 1 1 490.649 2.780 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001287115827 1062343908 /nfs/dbraw/zinc/34/39/08/1062343908.db2.gz LYAWXIYRFAAUIY-RTBURBONSA-N 1 1 494.600 2.562 20 0 JFADMO Cc1cc(=O)c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)nn1-c1cccc(C(F)(F)F)c1 ZINC001294754804 1062344782 /nfs/dbraw/zinc/34/47/82/1062344782.db2.gz TYWXUGGOBFYHDJ-SFHVURJKSA-N 1 1 452.477 2.526 20 0 JFADMO Cc1cc(=O)c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)nn1-c1cccc(C(F)(F)F)c1 ZINC001294754803 1062344924 /nfs/dbraw/zinc/34/49/24/1062344924.db2.gz TYWXUGGOBFYHDJ-GOSISDBHSA-N 1 1 452.477 2.526 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001294755789 1062345977 /nfs/dbraw/zinc/34/59/77/1062345977.db2.gz SMIGOYBLUKWWMD-RLLQIKCJSA-N 1 1 461.632 2.958 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294758146 1062348492 /nfs/dbraw/zinc/34/84/92/1062348492.db2.gz ULJJZTQBRFRKQT-ROUUACIJSA-N 1 1 474.631 2.533 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294760309 1062350615 /nfs/dbraw/zinc/35/06/15/1062350615.db2.gz NMMZDYIIGBNTCF-HAGHYFMRSA-N 1 1 489.665 2.625 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294760379 1062350697 /nfs/dbraw/zinc/35/06/97/1062350697.db2.gz OZCYNFKVOAQBCB-CYFREDJKSA-N 1 1 458.582 2.833 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287117332 1062351289 /nfs/dbraw/zinc/35/12/89/1062351289.db2.gz UKFZNCYPKQNOMZ-JOCHJYFZSA-N 1 1 489.064 2.674 20 0 JFADMO Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001290555261 1062358719 /nfs/dbraw/zinc/35/87/19/1062358719.db2.gz BLYQQTKDTNDZKH-BGYRXZFFSA-N 1 1 456.683 2.870 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287119683 1062360620 /nfs/dbraw/zinc/36/06/20/1062360620.db2.gz CKJLGHVEZINUOO-JOCHJYFZSA-N 1 1 454.619 2.533 20 0 JFADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290562173 1062362988 /nfs/dbraw/zinc/36/29/88/1062362988.db2.gz CTFMVNWMLNYJFR-HSZRJFAPSA-N 1 1 472.682 2.923 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001287120419 1062363218 /nfs/dbraw/zinc/36/32/18/1062363218.db2.gz LEIGBCHTQSKHMU-UHFFFAOYSA-N 1 1 464.618 2.552 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CC(F)(F)F)CC1 ZINC001290562376 1062363973 /nfs/dbraw/zinc/36/39/73/1062363973.db2.gz FPBACEAMYUYCDC-HXUWFJFHSA-N 1 1 498.598 2.686 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCOC(C)(C)C)CC1 ZINC001290562398 1062364056 /nfs/dbraw/zinc/36/40/56/1062364056.db2.gz FXQNOVKPCZJQDH-FQEVSTJZSA-N 1 1 459.639 2.660 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001290566005 1062368362 /nfs/dbraw/zinc/36/83/62/1062368362.db2.gz PTGACBBOOKIICE-VGOFRKELSA-N 1 1 486.665 2.905 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121888 1062369450 /nfs/dbraw/zinc/36/94/50/1062369450.db2.gz JLMFTQYEEBTCKA-LEWJYISDSA-N 1 1 489.709 2.507 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001294771175 1062370182 /nfs/dbraw/zinc/37/01/82/1062370182.db2.gz NRWVMKIRYYFLQX-WOJBJXKFSA-N 1 1 481.645 2.621 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287122623 1062373848 /nfs/dbraw/zinc/37/38/48/1062373848.db2.gz APIZPOGUYVRFEB-TZIWHRDSSA-N 1 1 473.666 2.625 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001294780918 1062384972 /nfs/dbraw/zinc/38/49/72/1062384972.db2.gz OSSUQGSZKDMSNK-REWPJTCUSA-N 1 1 495.672 2.606 20 0 JFADMO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001290581594 1062388310 /nfs/dbraw/zinc/38/83/10/1062388310.db2.gz NRKJVFPIZOGMMR-YADHBBJMSA-N 1 1 470.666 2.999 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294788223 1062393688 /nfs/dbraw/zinc/39/36/88/1062393688.db2.gz DIGVCCTUOOAMNV-PZJWPPBQSA-N 1 1 471.650 2.615 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001294789057 1062395815 /nfs/dbraw/zinc/39/58/15/1062395815.db2.gz ABGLJOAUMPSGSN-DHIUTWEWSA-N 1 1 495.672 2.630 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001294789059 1062395947 /nfs/dbraw/zinc/39/59/47/1062395947.db2.gz ABGLJOAUMPSGSN-PKTZIBPZSA-N 1 1 495.672 2.630 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC001290590093 1062403892 /nfs/dbraw/zinc/40/38/92/1062403892.db2.gz YIFNHAMKASUBCV-UHFFFAOYSA-N 1 1 452.946 2.840 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CCn2cc[nH+]c2C)n1 ZINC001290590683 1062407297 /nfs/dbraw/zinc/40/72/97/1062407297.db2.gz NRFCMMLGYSSYMX-UHFFFAOYSA-N 1 1 483.527 2.698 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001290597295 1062417983 /nfs/dbraw/zinc/41/79/83/1062417983.db2.gz CTBLWIZVDMUVRQ-IBGZPJMESA-N 1 1 485.658 2.662 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290599374 1062426681 /nfs/dbraw/zinc/42/66/81/1062426681.db2.gz FIRAGGAXPHFVPR-KDURUIRLSA-N 1 1 451.623 2.934 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290599378 1062428185 /nfs/dbraw/zinc/42/81/85/1062428185.db2.gz FIRIPDJVJQSVMA-KDURUIRLSA-N 1 1 453.639 2.878 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001290600794 1062432301 /nfs/dbraw/zinc/43/23/01/1062432301.db2.gz UVFDYTFQUGMAAF-UHFFFAOYSA-N 1 1 481.649 2.800 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001290600794 1062432316 /nfs/dbraw/zinc/43/23/16/1062432316.db2.gz UVFDYTFQUGMAAF-UHFFFAOYSA-N 1 1 481.649 2.800 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001290605401 1062439929 /nfs/dbraw/zinc/43/99/29/1062439929.db2.gz GFRCGCIGFWHIGF-IBGZPJMESA-N 1 1 469.609 2.926 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294810068 1062466072 /nfs/dbraw/zinc/46/60/72/1062466072.db2.gz BKFNKMBANYPNFJ-BGYRXZFFSA-N 1 1 489.709 2.915 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001290618992 1062476741 /nfs/dbraw/zinc/47/67/41/1062476741.db2.gz YIDQVIZTFJKENK-CUWPLCDZSA-N 1 1 486.665 2.973 20 0 JFADMO CNC(=O)C[NH+]1CCC(NC(=O)CCc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001290619377 1062479021 /nfs/dbraw/zinc/47/90/21/1062479021.db2.gz RQSGWZKYEXTOMJ-UHFFFAOYSA-N 1 1 450.299 2.727 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287141210 1062499380 /nfs/dbraw/zinc/49/93/80/1062499380.db2.gz ZPLAVBKGKJGCRN-LEWJYISDSA-N 1 1 454.619 2.767 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001290629641 1062502810 /nfs/dbraw/zinc/50/28/10/1062502810.db2.gz ULTOWCMKQDWMIM-HSZRJFAPSA-N 1 1 478.645 2.623 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001294822900 1062509378 /nfs/dbraw/zinc/50/93/78/1062509378.db2.gz SNYZGDBKRHXXML-IBGZPJMESA-N 1 1 468.650 2.988 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001294830361 1062518256 /nfs/dbraw/zinc/51/82/56/1062518256.db2.gz VWMPHGTWVSBSBZ-NRFANRHFSA-N 1 1 473.666 2.626 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290640305 1062525611 /nfs/dbraw/zinc/52/56/11/1062525611.db2.gz IRHBLWQFPAPCEN-LJQANCHMSA-N 1 1 470.588 2.943 20 0 JFADMO CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294838464 1062529398 /nfs/dbraw/zinc/52/93/98/1062529398.db2.gz NKRVJAAKFRETJK-IBGZPJMESA-N 1 1 455.607 2.594 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294841244 1062535184 /nfs/dbraw/zinc/53/51/84/1062535184.db2.gz YMNFMDQOPVGVIK-XLIONFOSSA-N 1 1 461.010 2.672 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001294844607 1062539356 /nfs/dbraw/zinc/53/93/56/1062539356.db2.gz AVPBVNKWBZPUPL-GOSISDBHSA-N 1 1 461.010 2.673 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294844751 1062539765 /nfs/dbraw/zinc/53/97/65/1062539765.db2.gz CXFRHNLPILYFGI-UHFFFAOYSA-N 1 1 458.607 2.799 20 0 JFADMO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287157913 1062549398 /nfs/dbraw/zinc/54/93/98/1062549398.db2.gz ADDAMGOXOUQUAZ-NHCUHLMSSA-N 1 1 492.665 2.586 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001290654681 1062554756 /nfs/dbraw/zinc/55/47/56/1062554756.db2.gz RUIUDDSCTGRVSO-NJDAHSKKSA-N 1 1 461.680 2.707 20 0 JFADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC001287159083 1062555010 /nfs/dbraw/zinc/55/50/10/1062555010.db2.gz ABBKTQURZLCKAA-QFIPXVFZSA-N 1 1 489.709 2.951 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287160720 1062561299 /nfs/dbraw/zinc/56/12/99/1062561299.db2.gz TZOFJGVTCGXQIH-HSALFYBXSA-N 1 1 488.599 2.949 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287161515 1062562702 /nfs/dbraw/zinc/56/27/02/1062562702.db2.gz AXPJOVAAQUDHSC-AABGKKOBSA-N 1 1 489.665 2.623 20 0 JFADMO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001287162632 1062565800 /nfs/dbraw/zinc/56/58/00/1062565800.db2.gz NQQPMINYYAZBAC-VQTJNVASSA-N 1 1 492.571 2.824 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001287162630 1062565872 /nfs/dbraw/zinc/56/58/72/1062565872.db2.gz NQQPMINYYAZBAC-UXHICEINSA-N 1 1 492.571 2.824 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001287162996 1062567130 /nfs/dbraw/zinc/56/71/30/1062567130.db2.gz QCTNKPXMSKNTKT-IAGOWNOFSA-N 1 1 467.039 2.937 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CCO2)n1 ZINC001290660733 1062567387 /nfs/dbraw/zinc/56/73/87/1062567387.db2.gz OCMHRCDWTYHGIY-FCHUYYIVSA-N 1 1 473.666 2.531 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163225 1062567495 /nfs/dbraw/zinc/56/74/95/1062567495.db2.gz BZHAJRLQTLLZTB-BHDDXSALSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163199 1062567628 /nfs/dbraw/zinc/56/76/28/1062567628.db2.gz BPAAAOIZXBJKGB-SLFFLAALSA-N 1 1 478.638 2.590 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163227 1062568388 /nfs/dbraw/zinc/56/83/88/1062568388.db2.gz BZHAJRLQTLLZTB-BHIFYINESA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@H](Cn1c(C2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163463 1062569012 /nfs/dbraw/zinc/56/90/12/1062569012.db2.gz RISVFHQWTXLCRT-PMACEKPBSA-N 1 1 462.639 2.958 20 0 JFADMO CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163365 1062569050 /nfs/dbraw/zinc/56/90/50/1062569050.db2.gz PJGVFDXITDPGRY-OAQYLSRUSA-N 1 1 476.666 2.541 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001290661284 1062569989 /nfs/dbraw/zinc/56/99/89/1062569989.db2.gz VJHAWLQIRCTDRH-QFIPXVFZSA-N 1 1 452.607 2.789 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287166486 1062578031 /nfs/dbraw/zinc/57/80/31/1062578031.db2.gz IVGWLGRFKWNLPV-VQTJNVASSA-N 1 1 490.674 2.765 20 0 JFADMO Cc1nc2n(n1)CCN(c1nnc(-c3cccc(Br)c3)n1CC[N@H+](C)C(C)C)C2 ZINC001290672269 1062581630 /nfs/dbraw/zinc/58/16/30/1062581630.db2.gz QNYVNGCYVTUFFY-UHFFFAOYSA-N 1 1 459.396 2.968 20 0 JFADMO CCCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294876551 1062587976 /nfs/dbraw/zinc/58/79/76/1062587976.db2.gz PWGNJLDXEOKIEF-QHCPKHFHSA-N 1 1 478.645 2.792 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001294885033 1062599885 /nfs/dbraw/zinc/59/98/85/1062599885.db2.gz YWPHIMUNLZLXEU-SFHVURJKSA-N 1 1 461.408 2.908 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001287175608 1062599969 /nfs/dbraw/zinc/59/99/69/1062599969.db2.gz WYUIYICJQXGWCY-VQTJNVASSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001287175608 1062599988 /nfs/dbraw/zinc/59/99/88/1062599988.db2.gz WYUIYICJQXGWCY-VQTJNVASSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287184125 1062610068 /nfs/dbraw/zinc/61/00/68/1062610068.db2.gz OAXXDXKNLLIVHG-NRFANRHFSA-N 1 1 463.648 2.564 20 0 JFADMO CC(C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187534 1062613513 /nfs/dbraw/zinc/61/35/13/1062613513.db2.gz XOMLQZYMPQTIRB-PMACEKPBSA-N 1 1 491.681 2.886 20 0 JFADMO CC(C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001287188940 1062614586 /nfs/dbraw/zinc/61/45/86/1062614586.db2.gz XGDRBRIUHRSWMU-MOPGFXCFSA-N 1 1 450.628 2.815 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001290700212 1062634796 /nfs/dbraw/zinc/63/47/96/1062634796.db2.gz IFZYIGBMVCGSRW-FQEVSTJZSA-N 1 1 456.543 2.515 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294899610 1062635132 /nfs/dbraw/zinc/63/51/32/1062635132.db2.gz VDHQVSHFIQWBHV-UHFFFAOYSA-N 1 1 481.601 2.673 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294899610 1062635146 /nfs/dbraw/zinc/63/51/46/1062635146.db2.gz VDHQVSHFIQWBHV-UHFFFAOYSA-N 1 1 481.601 2.673 20 0 JFADMO Cc1nnc(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290701840 1062637409 /nfs/dbraw/zinc/63/74/09/1062637409.db2.gz LQOHZPXIIIQMNC-JOCHJYFZSA-N 1 1 463.652 2.838 20 0 JFADMO CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001294903515 1062641541 /nfs/dbraw/zinc/64/15/41/1062641541.db2.gz NYVCSFHKYHNVNQ-UHFFFAOYSA-N 1 1 497.692 2.535 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001294909974 1062654019 /nfs/dbraw/zinc/65/40/19/1062654019.db2.gz DZWLHOCGMHIGTH-FQEVSTJZSA-N 1 1 477.613 2.682 20 0 JFADMO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001294910213 1062656187 /nfs/dbraw/zinc/65/61/87/1062656187.db2.gz JSBGOOFCZISAOG-NRFANRHFSA-N 1 1 467.643 2.871 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290737033 1062658968 /nfs/dbraw/zinc/65/89/68/1062658968.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 1 1 450.635 2.971 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290737033 1062658976 /nfs/dbraw/zinc/65/89/76/1062658976.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 1 1 450.635 2.971 20 0 JFADMO Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001290746324 1062664960 /nfs/dbraw/zinc/66/49/60/1062664960.db2.gz PEPXPQANCJMJMU-UHFFFAOYSA-N 1 1 470.387 2.598 20 0 JFADMO Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001290746324 1062664974 /nfs/dbraw/zinc/66/49/74/1062664974.db2.gz PEPXPQANCJMJMU-UHFFFAOYSA-N 1 1 470.387 2.598 20 0 JFADMO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001287212776 1062668080 /nfs/dbraw/zinc/66/80/80/1062668080.db2.gz SQGSLIMJYZOIBT-HXOBKFHXSA-N 1 1 486.608 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCN(C)c1ccccc1 ZINC001287213545 1062671708 /nfs/dbraw/zinc/67/17/08/1062671708.db2.gz ASSJEDAFSGQCRE-QFIPXVFZSA-N 1 1 453.635 2.671 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001294914869 1062673955 /nfs/dbraw/zinc/67/39/55/1062673955.db2.gz XPVXFAUSFAMZGN-WMZOPIPTSA-N 1 1 491.434 2.819 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287213850 1062674075 /nfs/dbraw/zinc/67/40/75/1062674075.db2.gz FWSGCICQDSUMHS-VQTJNVASSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287213850 1062674085 /nfs/dbraw/zinc/67/40/85/1062674085.db2.gz FWSGCICQDSUMHS-VQTJNVASSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214669 1062680807 /nfs/dbraw/zinc/68/08/07/1062680807.db2.gz PBHFMDTVWFQFDP-RBBKRZOGSA-N 1 1 453.635 2.669 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)C3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001294920965 1062687813 /nfs/dbraw/zinc/68/78/13/1062687813.db2.gz SXJGICPMHXYVLJ-UHFFFAOYSA-N 1 1 456.591 2.505 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922613 1062689807 /nfs/dbraw/zinc/68/98/07/1062689807.db2.gz CVFASOBUKZZCTO-RBUKOAKNSA-N 1 1 468.606 2.953 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001287220456 1062704506 /nfs/dbraw/zinc/70/45/06/1062704506.db2.gz YRKBNWJUGUQXBA-HSZRJFAPSA-N 1 1 498.672 2.755 20 0 JFADMO Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290800003 1062704896 /nfs/dbraw/zinc/70/48/96/1062704896.db2.gz IGHZAMCEEFCPFG-IBGZPJMESA-N 1 1 453.509 2.771 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220649 1062705255 /nfs/dbraw/zinc/70/52/55/1062705255.db2.gz YMMBOWQDWINNSE-AZUAARDMSA-N 1 1 472.609 2.574 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001287220686 1062705986 /nfs/dbraw/zinc/70/59/86/1062705986.db2.gz ZQWBZFIHVRRNLZ-QUCCMNQESA-N 1 1 488.599 2.744 20 0 JFADMO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001290802914 1062706777 /nfs/dbraw/zinc/70/67/77/1062706777.db2.gz CJIOGRPVVQBJHV-KRWDZBQOSA-N 1 1 455.502 2.765 20 0 JFADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(I)cc1 ZINC001287221909 1062707209 /nfs/dbraw/zinc/70/72/09/1062707209.db2.gz AMIJQHYSOCTOEB-QGZVFWFLSA-N 1 1 467.355 2.575 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(I)cc1 ZINC001287221909 1062707229 /nfs/dbraw/zinc/70/72/29/1062707229.db2.gz AMIJQHYSOCTOEB-QGZVFWFLSA-N 1 1 467.355 2.575 20 0 JFADMO CC(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287222304 1062708092 /nfs/dbraw/zinc/70/80/92/1062708092.db2.gz FYMCUVPTQLVHIZ-MRXNPFEDSA-N 1 1 455.529 2.994 20 0 JFADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001290808075 1062709903 /nfs/dbraw/zinc/70/99/03/1062709903.db2.gz BLYAJUABSJPAKM-UHFFFAOYSA-N 1 1 455.607 2.783 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934278 1062711650 /nfs/dbraw/zinc/71/16/50/1062711650.db2.gz STMFGWNKAAOZAN-OAQYLSRUSA-N 1 1 486.661 2.730 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001294939249 1062718400 /nfs/dbraw/zinc/71/84/00/1062718400.db2.gz MXKAPRCTQPXCMY-IBGZPJMESA-N 1 1 459.591 2.690 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001294939249 1062718419 /nfs/dbraw/zinc/71/84/19/1062718419.db2.gz MXKAPRCTQPXCMY-IBGZPJMESA-N 1 1 459.591 2.690 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290824895 1062719249 /nfs/dbraw/zinc/71/92/49/1062719249.db2.gz RYLMBHKHYUPYNR-SFTDATJTSA-N 1 1 464.655 2.907 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287232173 1062722783 /nfs/dbraw/zinc/72/27/83/1062722783.db2.gz NPXQKTKHFCLGGU-UXHICEINSA-N 1 1 474.675 2.989 20 0 JFADMO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287232171 1062722925 /nfs/dbraw/zinc/72/29/25/1062722925.db2.gz NPXQKTKHFCLGGU-PMACEKPBSA-N 1 1 474.675 2.989 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940115 1062724730 /nfs/dbraw/zinc/72/47/30/1062724730.db2.gz MCIGOILMACVCPB-SFHVURJKSA-N 1 1 458.607 2.798 20 0 JFADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001290833015 1062725406 /nfs/dbraw/zinc/72/54/06/1062725406.db2.gz IAWHBDRIBOJXIO-PMACEKPBSA-N 1 1 453.509 2.749 20 0 JFADMO CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)cc1 ZINC001294946996 1062731487 /nfs/dbraw/zinc/73/14/87/1062731487.db2.gz BVHKEAGEGAQDLH-VWLOTQADSA-N 1 1 470.618 2.554 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCn2cc[nH+]c2C)cc1OC ZINC001294947336 1062732046 /nfs/dbraw/zinc/73/20/46/1062732046.db2.gz QOLHHTOZVJZLLI-UHFFFAOYSA-N 1 1 488.614 2.573 20 0 JFADMO CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287252978 1062735724 /nfs/dbraw/zinc/73/57/24/1062735724.db2.gz NLVAGOMGGWBQJF-SFTDATJTSA-N 1 1 475.659 2.678 20 0 JFADMO CCCOc1ccc(-c2nnc(Nc3ccn(C)n3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001294949918 1062736300 /nfs/dbraw/zinc/73/63/00/1062736300.db2.gz WJGOZOSAFQOZFI-KRWDZBQOSA-N 1 1 455.563 2.940 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001290860139 1062744596 /nfs/dbraw/zinc/74/45/96/1062744596.db2.gz VJZFDGBPHWFJPL-UHFFFAOYSA-N 1 1 459.631 2.969 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860206 1062744878 /nfs/dbraw/zinc/74/48/78/1062744878.db2.gz XZXFSSZBFIZYRE-RUZDIDTESA-N 1 1 454.590 2.653 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001290861905 1062745817 /nfs/dbraw/zinc/74/58/17/1062745817.db2.gz AEDZLXYLRKZCML-RBUKOAKNSA-N 1 1 452.640 2.767 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001290867653 1062750017 /nfs/dbraw/zinc/75/00/17/1062750017.db2.gz QGRCQTVMIKAUIN-YTFSRNRJSA-N 1 1 473.710 2.725 20 0 JFADMO CCCOc1ccc(Cn2c(N3CC[N@@H+](CC)[C@H](C)C3)nnc2[C@]2(OCC)CCOC2)cn1 ZINC001294971977 1062754183 /nfs/dbraw/zinc/75/41/83/1062754183.db2.gz QCQLOHRQJMIOQR-DVECYGJZSA-N 1 1 458.607 2.693 20 0 JFADMO CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972883 1062755991 /nfs/dbraw/zinc/75/59/91/1062755991.db2.gz OJQBKKXTEZZHKX-NLFFAJNJSA-N 1 1 468.646 2.997 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290870824 1062757110 /nfs/dbraw/zinc/75/71/10/1062757110.db2.gz YDBFUKWURKBGIH-XUZZJYLKSA-N 1 1 467.662 2.535 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876292 1062760791 /nfs/dbraw/zinc/76/07/91/1062760791.db2.gz LVLVJCWUGYDSTM-QFIPXVFZSA-N 1 1 463.026 2.550 20 0 JFADMO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294976865 1062760993 /nfs/dbraw/zinc/76/09/93/1062760993.db2.gz DMWLWUUTZAYTSZ-FPOVZHCZSA-N 1 1 469.634 2.767 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892077 1062769773 /nfs/dbraw/zinc/76/97/73/1062769773.db2.gz RSDQJQFUCSNLGN-GHTZIAJQSA-N 1 1 458.603 2.612 20 0 JFADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc4cccc(C(F)(F)F)c4[nH]c3=O)CC2)CC1 ZINC001290901304 1062772601 /nfs/dbraw/zinc/77/26/01/1062772601.db2.gz AGVWKVNFLAETLX-UHFFFAOYSA-N 1 1 450.461 2.585 20 0 JFADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290902561 1062775760 /nfs/dbraw/zinc/77/57/60/1062775760.db2.gz LXGOTUIXICVRFC-CEXWTWQISA-N 1 1 474.654 2.864 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001294997381 1062783583 /nfs/dbraw/zinc/78/35/83/1062783583.db2.gz RGKFXXIQBWTBOT-SLFFLAALSA-N 1 1 470.684 2.548 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294997233 1062783727 /nfs/dbraw/zinc/78/37/27/1062783727.db2.gz GIISHKUZNXNKSD-PLACYPQZSA-N 1 1 462.639 2.514 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001295001416 1062787094 /nfs/dbraw/zinc/78/70/94/1062787094.db2.gz ABCZALMTAQVMTP-VQTJNVASSA-N 1 1 455.669 2.696 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001295005818 1062792673 /nfs/dbraw/zinc/79/26/73/1062792673.db2.gz IBGPCXBHKQLNLY-FGZHOGPDSA-N 1 1 476.666 2.543 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295014123 1062802292 /nfs/dbraw/zinc/80/22/92/1062802292.db2.gz IVDWDOVMZNFYDF-OALUTQOASA-N 1 1 454.685 2.822 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295015487 1062809401 /nfs/dbraw/zinc/80/94/01/1062809401.db2.gz VJIMFFRPOOQLAR-HXUWFJFHSA-N 1 1 496.722 2.592 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001295020795 1062822294 /nfs/dbraw/zinc/82/22/94/1062822294.db2.gz FOJVFCQOGDCIMZ-SFHVURJKSA-N 1 1 477.679 2.939 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295023112 1062827345 /nfs/dbraw/zinc/82/73/45/1062827345.db2.gz WGYRSIWLRWGVHV-IBGZPJMESA-N 1 1 492.665 2.791 20 0 JFADMO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833359 /nfs/dbraw/zinc/83/33/59/1062833359.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 1 1 450.672 2.525 20 0 JFADMO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCN1CCOC1=O ZINC001287379635 1062834670 /nfs/dbraw/zinc/83/46/70/1062834670.db2.gz QORATHHSQCFOSN-SIKLNZKXSA-N 1 1 472.638 2.572 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287384968 1062835886 /nfs/dbraw/zinc/83/58/86/1062835886.db2.gz JQYUIRUMCJZKQA-UXHICEINSA-N 1 1 464.655 2.938 20 0 JFADMO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001295052607 1062855542 /nfs/dbraw/zinc/85/55/42/1062855542.db2.gz BUSURYUEVOMWMW-RTBURBONSA-N 1 1 455.607 2.544 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001295054775 1062858546 /nfs/dbraw/zinc/85/85/46/1062858546.db2.gz DOBAGFUIAUVUGJ-QFQXNSOFSA-N 1 1 484.645 2.814 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001295054776 1062858797 /nfs/dbraw/zinc/85/87/97/1062858797.db2.gz DOBAGFUIAUVUGJ-RLWLMLJZSA-N 1 1 484.645 2.814 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295058481 1062868005 /nfs/dbraw/zinc/86/80/05/1062868005.db2.gz UPGDNAMWAWTYPV-UHFFFAOYSA-N 1 1 493.450 2.733 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295058481 1062868033 /nfs/dbraw/zinc/86/80/33/1062868033.db2.gz UPGDNAMWAWTYPV-UHFFFAOYSA-N 1 1 493.450 2.733 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287438054 1062871752 /nfs/dbraw/zinc/87/17/52/1062871752.db2.gz SCDCQGXEDNEOGO-VXKWHMMOSA-N 1 1 460.667 2.576 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290987314 1062875681 /nfs/dbraw/zinc/87/56/81/1062875681.db2.gz YUAGXTNKUFKXQG-FQEVSTJZSA-N 1 1 498.672 2.932 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001290987314 1062875701 /nfs/dbraw/zinc/87/57/01/1062875701.db2.gz YUAGXTNKUFKXQG-FQEVSTJZSA-N 1 1 498.672 2.932 20 0 JFADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC001290989955 1062880709 /nfs/dbraw/zinc/88/07/09/1062880709.db2.gz PJBPPQSAQDATSS-VSKRKVRLSA-N 1 1 487.737 2.976 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001290990530 1062883806 /nfs/dbraw/zinc/88/38/06/1062883806.db2.gz UKORDDQEFBFVEV-OTWHNJEPSA-N 1 1 455.607 2.907 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001287449066 1062886218 /nfs/dbraw/zinc/88/62/18/1062886218.db2.gz ZCBCHOHGMCJWOU-FGZHOGPDSA-N 1 1 480.723 2.993 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001295069905 1062890857 /nfs/dbraw/zinc/89/08/57/1062890857.db2.gz LSUMTHORCWPKOH-UHFFFAOYSA-N 1 1 494.644 2.635 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287456436 1062893561 /nfs/dbraw/zinc/89/35/61/1062893561.db2.gz MZVIGJLILXEXMV-UHFFFAOYSA-N 1 1 490.599 2.968 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287456436 1062893577 /nfs/dbraw/zinc/89/35/77/1062893577.db2.gz MZVIGJLILXEXMV-UHFFFAOYSA-N 1 1 490.599 2.968 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999740 1062894427 /nfs/dbraw/zinc/89/44/27/1062894427.db2.gz TTXJMFKHKAKOHK-WOZUAGRISA-N 1 1 476.666 2.616 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)C(=O)C3)nnc2C(C)(C)C)C1 ZINC001290999983 1062894614 /nfs/dbraw/zinc/89/46/14/1062894614.db2.gz MAIPZMFOGDCJPT-KDURUIRLSA-N 1 1 470.666 2.919 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000297 1062895208 /nfs/dbraw/zinc/89/52/08/1062895208.db2.gz VOFGOQNYCBPZQJ-RVDAZCDBSA-N 1 1 496.722 2.649 20 0 JFADMO CC(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291002332 1062898893 /nfs/dbraw/zinc/89/88/93/1062898893.db2.gz ULNQRFOIQJKMKT-SFTDATJTSA-N 1 1 459.683 2.687 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295076958 1062904220 /nfs/dbraw/zinc/90/42/20/1062904220.db2.gz ZOFZDIQJGYLMQG-UHFFFAOYSA-N 1 1 465.577 2.594 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010363 1062909067 /nfs/dbraw/zinc/90/90/67/1062909067.db2.gz SOFUICWMALCTPF-OYRHEFFESA-N 1 1 476.666 2.560 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287464956 1062910436 /nfs/dbraw/zinc/91/04/36/1062910436.db2.gz UDMLSYAKIPACIM-UHFFFAOYSA-N 1 1 460.667 2.818 20 0 JFADMO CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011047 1062910946 /nfs/dbraw/zinc/91/09/46/1062910946.db2.gz DWDDIKOZGLFUHU-NXMSCROESA-N 1 1 459.639 2.584 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011016 1062911032 /nfs/dbraw/zinc/91/10/32/1062911032.db2.gz DPYQTAKIIHEGRT-ZRSRNVLSSA-N 1 1 472.725 2.587 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011590 1062912219 /nfs/dbraw/zinc/91/22/19/1062912219.db2.gz MOTMRMSXCWRPFK-CIAFKFPVSA-N 1 1 481.707 2.800 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011591 1062912279 /nfs/dbraw/zinc/91/22/79/1062912279.db2.gz MOTMRMSXCWRPFK-LNRXMEIDSA-N 1 1 481.707 2.800 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001287468924 1062915922 /nfs/dbraw/zinc/91/59/22/1062915922.db2.gz LCPWEZJVQXRTTC-GOSISDBHSA-N 1 1 468.693 2.749 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012480 1062916696 /nfs/dbraw/zinc/91/66/96/1062916696.db2.gz ZVBHPBQYQUINAE-ZCNNSNEGSA-N 1 1 491.681 2.888 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287469148 1062916719 /nfs/dbraw/zinc/91/67/19/1062916719.db2.gz NLYQVAVGOXEDPJ-UHFFFAOYSA-N 1 1 458.582 2.580 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001287469810 1062917255 /nfs/dbraw/zinc/91/72/55/1062917255.db2.gz VMTSOLYFOKQXRX-UUOWRZLLSA-N 1 1 462.589 2.705 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012708 1062917892 /nfs/dbraw/zinc/91/78/92/1062917892.db2.gz DBUNVAOHHIBJCK-ZGXWSNOMSA-N 1 1 489.665 2.701 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012705 1062918037 /nfs/dbraw/zinc/91/80/37/1062918037.db2.gz DBUNVAOHHIBJCK-IYWMVGAKSA-N 1 1 489.665 2.701 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013139 1062918671 /nfs/dbraw/zinc/91/86/71/1062918671.db2.gz JPASYQQZQVQULV-CIAFKFPVSA-N 1 1 481.707 2.944 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001295084300 1062918904 /nfs/dbraw/zinc/91/89/04/1062918904.db2.gz QJZCKXCKRICRQD-UHFFFAOYSA-N 1 1 472.590 2.858 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001295084463 1062919578 /nfs/dbraw/zinc/91/95/78/1062919578.db2.gz OTIUNHHVGYLTLC-UHFFFAOYSA-N 1 1 458.607 2.655 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287474511 1062923129 /nfs/dbraw/zinc/92/31/29/1062923129.db2.gz BLVBQIRQPQOAMK-UHFFFAOYSA-N 1 1 463.696 2.591 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001291015765 1062927149 /nfs/dbraw/zinc/92/71/49/1062927149.db2.gz VUZUKVCPWCGYFZ-OTWHNJEPSA-N 1 1 460.648 2.863 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001287476756 1062932357 /nfs/dbraw/zinc/93/23/57/1062932357.db2.gz OLDZXUKILBVLKO-UHFFFAOYSA-N 1 1 495.716 2.960 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481549 1062937173 /nfs/dbraw/zinc/93/71/73/1062937173.db2.gz FNTAGTZBMWZAOS-QHCPKHFHSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(S(=O)(=O)CC)CC2)c1 ZINC001295126280 1062940717 /nfs/dbraw/zinc/94/07/17/1062940717.db2.gz DOKPHQFWHWXJPG-UHFFFAOYSA-N 1 1 483.642 2.639 20 0 JFADMO CC[N@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941133 /nfs/dbraw/zinc/94/11/33/1062941133.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 1 1 463.630 2.997 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941161 /nfs/dbraw/zinc/94/11/61/1062941161.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 1 1 463.630 2.997 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCC1(O)CCOCC1 ZINC001287485720 1062941665 /nfs/dbraw/zinc/94/16/65/1062941665.db2.gz AVTMVJRONQYTJW-UHFFFAOYSA-N 1 1 457.619 2.609 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287486181 1062942106 /nfs/dbraw/zinc/94/21/06/1062942106.db2.gz HPIPDSAJJDQFQA-HBMCJLEFSA-N 1 1 468.712 2.705 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001295126625 1062942304 /nfs/dbraw/zinc/94/23/04/1062942304.db2.gz GMEOWJZYHWXCPV-RUZDIDTESA-N 1 1 467.618 2.716 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295126847 1062943612 /nfs/dbraw/zinc/94/36/12/1062943612.db2.gz IXFKFETWMOAHKY-HSZRJFAPSA-N 1 1 482.654 2.777 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)NC)CC2)c1 ZINC001295127359 1062945649 /nfs/dbraw/zinc/94/56/49/1062945649.db2.gz OILUWLPIJJJQDI-UHFFFAOYSA-N 1 1 461.614 2.726 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001295127398 1062946786 /nfs/dbraw/zinc/94/67/86/1062946786.db2.gz QFXWJCBURWCJGQ-UHFFFAOYSA-N 1 1 482.654 2.777 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001287488487 1062946881 /nfs/dbraw/zinc/94/68/81/1062946881.db2.gz ZGMZBVLZBNPYPE-FQEVSTJZSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001295127871 1062947022 /nfs/dbraw/zinc/94/70/22/1062947022.db2.gz VQOPFPBSFLPEQF-UHFFFAOYSA-N 1 1 482.654 2.725 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295128114 1062948919 /nfs/dbraw/zinc/94/89/19/1062948919.db2.gz WZBFWJPGXSMSFA-HSZRJFAPSA-N 1 1 482.654 2.777 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287495693 1062950278 /nfs/dbraw/zinc/95/02/78/1062950278.db2.gz SFMRJLDHVLEAEO-HXUWFJFHSA-N 1 1 461.680 2.785 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295134847 1062952172 /nfs/dbraw/zinc/95/21/72/1062952172.db2.gz NKXYQOBWDVQMAO-WIYYLYMNSA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295134847 1062952200 /nfs/dbraw/zinc/95/22/00/1062952200.db2.gz NKXYQOBWDVQMAO-WIYYLYMNSA-N 1 1 488.658 2.643 20 0 JFADMO Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001287502544 1062953554 /nfs/dbraw/zinc/95/35/54/1062953554.db2.gz AQNNXTFFMZXENQ-HXUWFJFHSA-N 1 1 457.596 2.535 20 0 JFADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291029635 1062956983 /nfs/dbraw/zinc/95/69/83/1062956983.db2.gz BLWOUIMOPMIRHF-HAGHYFMRSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291029635 1062957004 /nfs/dbraw/zinc/95/70/04/1062957004.db2.gz BLWOUIMOPMIRHF-HAGHYFMRSA-N 1 1 490.674 2.630 20 0 JFADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC001295145075 1062964379 /nfs/dbraw/zinc/96/43/79/1062964379.db2.gz NGWVRGRMULMFCU-INIZCTEOSA-N 1 1 466.677 2.777 20 0 JFADMO C[C@@H]1C[C@@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291039328 1062969089 /nfs/dbraw/zinc/96/90/89/1062969089.db2.gz ASPZNQCTGBFRQS-CEXWTWQISA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1C[C@@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291039328 1062969110 /nfs/dbraw/zinc/96/91/10/1062969110.db2.gz ASPZNQCTGBFRQS-CEXWTWQISA-N 1 1 478.638 2.714 20 0 JFADMO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295152832 1062973169 /nfs/dbraw/zinc/97/31/69/1062973169.db2.gz SPFBHDASSZMGBN-LGVFNWMJSA-N 1 1 497.706 2.597 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051102 1062980286 /nfs/dbraw/zinc/98/02/86/1062980286.db2.gz ACSRBTWCMNUPMZ-FFHOAYQKSA-N 1 1 462.683 2.574 20 0 JFADMO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC001295157734 1062981407 /nfs/dbraw/zinc/98/14/07/1062981407.db2.gz IPVPBTQWSJDQPZ-RTWAWAEBSA-N 1 1 496.077 2.849 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001291051736 1062982044 /nfs/dbraw/zinc/98/20/44/1062982044.db2.gz JIGGGKZPRYEMIF-BDTNDASRSA-N 1 1 494.750 2.829 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001291051737 1062982096 /nfs/dbraw/zinc/98/20/96/1062982096.db2.gz JIGGGKZPRYEMIF-BHIFYINESA-N 1 1 494.750 2.829 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291051671 1062982359 /nfs/dbraw/zinc/98/23/59/1062982359.db2.gz IUAVWFICFVATDW-BGYRXZFFSA-N 1 1 461.699 2.875 20 0 JFADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001295160642 1062983207 /nfs/dbraw/zinc/98/32/07/1062983207.db2.gz BUBBDGYKAMTZKR-BGYRXZFFSA-N 1 1 492.690 2.929 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 ZINC001291052762 1062984594 /nfs/dbraw/zinc/98/45/94/1062984594.db2.gz YAZFZWZSRVCMQT-KDURUIRLSA-N 1 1 495.093 2.638 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287583494 1062995490 /nfs/dbraw/zinc/99/54/90/1062995490.db2.gz SLPQHTNVJVTZPG-DHIUTWEWSA-N 1 1 489.686 2.954 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287583494 1062995512 /nfs/dbraw/zinc/99/55/12/1062995512.db2.gz SLPQHTNVJVTZPG-DHIUTWEWSA-N 1 1 489.686 2.954 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060748 1062995738 /nfs/dbraw/zinc/99/57/38/1062995738.db2.gz NZTPVRHZWCBNEO-JYAXOCDNSA-N 1 1 496.722 2.746 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001295188534 1063011929 /nfs/dbraw/zinc/01/19/29/1063011929.db2.gz ZCVMIMGBVJARSH-NRFANRHFSA-N 1 1 450.539 2.571 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001287635828 1063015267 /nfs/dbraw/zinc/01/52/67/1063015267.db2.gz KKGXAZMAHWLKDL-OAQYLSRUSA-N 1 1 489.686 2.907 20 0 JFADMO CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295195961 1063017476 /nfs/dbraw/zinc/01/74/76/1063017476.db2.gz UFHGCUZHZGQTFW-VQTJNVASSA-N 1 1 460.648 2.782 20 0 JFADMO CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295209051 1063023724 /nfs/dbraw/zinc/02/37/24/1063023724.db2.gz UTPKPAVUBIJMQX-ACRUOGEOSA-N 1 1 461.632 2.836 20 0 JFADMO CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295209057 1063023792 /nfs/dbraw/zinc/02/37/92/1063023792.db2.gz UTPKPAVUBIJMQX-NJYVYQBISA-N 1 1 461.632 2.836 20 0 JFADMO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC001295215920 1063029393 /nfs/dbraw/zinc/02/93/93/1063029393.db2.gz CFCGRWBYGGDSAA-RTWAWAEBSA-N 1 1 492.665 2.812 20 0 JFADMO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC001295220223 1063039509 /nfs/dbraw/zinc/03/95/09/1063039509.db2.gz VJORHETVJUDLOQ-CJFMBICVSA-N 1 1 492.665 2.812 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001287693010 1063040206 /nfs/dbraw/zinc/04/02/06/1063040206.db2.gz JEYNTPKQUZGPQL-HKUYNNGSSA-N 1 1 450.004 2.845 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001287733290 1063055791 /nfs/dbraw/zinc/05/57/91/1063055791.db2.gz FZBXXZXLJJWUBR-JOCHJYFZSA-N 1 1 487.693 2.577 20 0 JFADMO CCN(c1nnc(Cc2ccsc2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295237069 1063057714 /nfs/dbraw/zinc/05/77/14/1063057714.db2.gz TYISXODUOSKLGA-LJQANCHMSA-N 1 1 462.645 2.929 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291096655 1063057822 /nfs/dbraw/zinc/05/78/22/1063057822.db2.gz IPFNTXDTGHKCDY-OALUTQOASA-N 1 1 494.644 2.547 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001291096904 1063059675 /nfs/dbraw/zinc/05/96/75/1063059675.db2.gz MRHLUUIUSDROPX-VQTJNVASSA-N 1 1 466.696 2.918 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001287736579 1063060308 /nfs/dbraw/zinc/06/03/08/1063060308.db2.gz BOUSLBSRRHIQMJ-HXUWFJFHSA-N 1 1 489.690 2.568 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001287738053 1063060913 /nfs/dbraw/zinc/06/09/13/1063060913.db2.gz MYAUYDKKLSSYSD-ZRNYENFQSA-N 1 1 454.685 2.739 20 0 JFADMO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1([S@](C)=O)CC1)C(C)C ZINC001295241122 1063061493 /nfs/dbraw/zinc/06/14/93/1063061493.db2.gz ZKUQBITUQDKULZ-YTTGMZPUSA-N 1 1 458.676 2.789 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291098275 1063061908 /nfs/dbraw/zinc/06/19/08/1063061908.db2.gz KSVIWWLAFYIEGQ-LJQANCHMSA-N 1 1 482.633 2.672 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001287739968 1063065036 /nfs/dbraw/zinc/06/50/36/1063065036.db2.gz BYQWMMOACFNWCA-UGKGYDQZSA-N 1 1 493.649 2.988 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291099382 1063065281 /nfs/dbraw/zinc/06/52/81/1063065281.db2.gz GCPBZSMZMCEFFW-IBGZPJMESA-N 1 1 462.639 2.500 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291099465 1063066307 /nfs/dbraw/zinc/06/63/07/1063066307.db2.gz IEUHZFYDXVKPTG-UXHICEINSA-N 1 1 466.696 2.745 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001291099775 1063066630 /nfs/dbraw/zinc/06/66/30/1063066630.db2.gz MXTQLJKCFUFONC-GUDVDZBRSA-N 1 1 486.583 2.941 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001291100027 1063067229 /nfs/dbraw/zinc/06/72/29/1063067229.db2.gz RDBWPIWVJVFXEY-OAQYLSRUSA-N 1 1 475.682 2.705 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291100044 1063067273 /nfs/dbraw/zinc/06/72/73/1063067273.db2.gz RJQVGXVOZRTNER-AABGKKOBSA-N 1 1 489.665 2.939 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001291100216 1063067551 /nfs/dbraw/zinc/06/75/51/1063067551.db2.gz VTHJJGLRRQKMMQ-QUCCMNQESA-N 1 1 496.703 2.573 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001291100293 1063068310 /nfs/dbraw/zinc/06/83/10/1063068310.db2.gz XIXNNLFNAIRCMS-VAMGGRTRSA-N 1 1 462.664 2.786 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001291101339 1063071555 /nfs/dbraw/zinc/07/15/55/1063071555.db2.gz RHNJANKCMUTXMI-HXUWFJFHSA-N 1 1 487.693 2.719 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101879 1063074297 /nfs/dbraw/zinc/07/42/97/1063074297.db2.gz DBGFICHDJBRQFV-QZTJIDSGSA-N 1 1 490.674 2.667 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291102264 1063076181 /nfs/dbraw/zinc/07/61/81/1063076181.db2.gz JYIVCZLBXFJBKR-LEWJYISDSA-N 1 1 489.709 2.534 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001287751800 1063078784 /nfs/dbraw/zinc/07/87/84/1063078784.db2.gz UAGIGFHFHIFTDR-QGZVFWFLSA-N 1 1 452.024 2.811 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295263390 1063079221 /nfs/dbraw/zinc/07/92/21/1063079221.db2.gz WYUJHXFYQCLCJB-ZGXWSNOMSA-N 1 1 467.680 2.900 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291103824 1063081744 /nfs/dbraw/zinc/08/17/44/1063081744.db2.gz LDKUSJUPMULLBO-RTWAWAEBSA-N 1 1 476.666 2.541 20 0 JFADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291104187 1063083165 /nfs/dbraw/zinc/08/31/65/1063083165.db2.gz QNTSSGJMUWFGQP-NJDAHSKKSA-N 1 1 487.693 2.766 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291104437 1063084446 /nfs/dbraw/zinc/08/44/46/1063084446.db2.gz UMXPVEUUVOTURR-SFTDATJTSA-N 1 1 487.693 2.718 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291104436 1063084518 /nfs/dbraw/zinc/08/45/18/1063084518.db2.gz UMXPVEUUVOTURR-RTWAWAEBSA-N 1 1 487.693 2.718 20 0 JFADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104802 1063085187 /nfs/dbraw/zinc/08/51/87/1063085187.db2.gz AVOAXGKNNGIPGA-NCXUSEDFSA-N 1 1 450.653 2.662 20 0 JFADMO C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291104891 1063085664 /nfs/dbraw/zinc/08/56/64/1063085664.db2.gz BJXSOJWPVXXPPX-ZWKOTPCHSA-N 1 1 473.647 2.532 20 0 JFADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291105249 1063086287 /nfs/dbraw/zinc/08/62/87/1063086287.db2.gz GXKHKZXWVDGHHP-HOTGVXAUSA-N 1 1 455.028 2.595 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291105461 1063087570 /nfs/dbraw/zinc/08/75/70/1063087570.db2.gz JQHGSPUCPMDWTR-OALUTQOASA-N 1 1 494.644 2.923 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105888 1063089329 /nfs/dbraw/zinc/08/93/29/1063089329.db2.gz PBZTUUZZGCNGPI-RBUKOAKNSA-N 1 1 460.648 2.584 20 0 JFADMO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCCCCO)[N@H+]1CCC[C@H](C)C1 ZINC001291106026 1063090988 /nfs/dbraw/zinc/09/09/88/1063090988.db2.gz QRFYEEPYEHHIKF-PMACEKPBSA-N 1 1 481.645 2.911 20 0 JFADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001287767298 1063091109 /nfs/dbraw/zinc/09/11/09/1063091109.db2.gz DEVMVPXKXBZDRC-FQEVSTJZSA-N 1 1 486.636 2.812 20 0 JFADMO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC001287767299 1063091164 /nfs/dbraw/zinc/09/11/64/1063091164.db2.gz DEVMVPXKXBZDRC-HXUWFJFHSA-N 1 1 486.636 2.812 20 0 JFADMO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCCCCO)[N@H+]1CCC[C@H](C)C1 ZINC001291106028 1063091654 /nfs/dbraw/zinc/09/16/54/1063091654.db2.gz QRFYEEPYEHHIKF-VQTJNVASSA-N 1 1 481.645 2.911 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295269540 1063092053 /nfs/dbraw/zinc/09/20/53/1063092053.db2.gz KCQKFHFEIJTXFY-FQEVSTJZSA-N 1 1 477.679 2.644 20 0 JFADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C)C1 ZINC001291106519 1063092824 /nfs/dbraw/zinc/09/28/24/1063092824.db2.gz XDBUHLAFJFBBBT-OALUTQOASA-N 1 1 485.658 2.839 20 0 JFADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106521 1063093140 /nfs/dbraw/zinc/09/31/40/1063093140.db2.gz XDBUHLAFJFBBBT-RTBURBONSA-N 1 1 485.658 2.839 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccccc3)n2CCCn2cc[nH+]c2C)CC1)S(C)(=O)=O ZINC001295269881 1063094594 /nfs/dbraw/zinc/09/45/94/1063094594.db2.gz SOFRNDIHMLCFJA-UHFFFAOYSA-N 1 1 471.631 2.791 20 0 JFADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107075 1063095862 /nfs/dbraw/zinc/09/58/62/1063095862.db2.gz FVQJZAJMLDRFGO-FGZHOGPDSA-N 1 1 469.678 2.931 20 0 JFADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107297 1063096527 /nfs/dbraw/zinc/09/65/27/1063096527.db2.gz HVZASORXVGOHFC-QYZOEREBSA-N 1 1 458.582 2.784 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291108702 1063101948 /nfs/dbraw/zinc/10/19/48/1063101948.db2.gz ZELJJQNLEFNUII-RTWAWAEBSA-N 1 1 453.635 2.689 20 0 JFADMO CCN(C1CCN(c2nnc(CC(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295273615 1063107103 /nfs/dbraw/zinc/10/71/03/1063107103.db2.gz MQLKJNSISIOENF-HXUWFJFHSA-N 1 1 468.712 2.847 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291110077 1063107679 /nfs/dbraw/zinc/10/76/79/1063107679.db2.gz XBXUBQYOVUVYOX-AQNXPRMDSA-N 1 1 489.665 2.797 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291119811 1063128556 /nfs/dbraw/zinc/12/85/56/1063128556.db2.gz QDRVLUMLSFKMCV-QHAWAJNXSA-N 1 1 492.665 2.670 20 0 JFADMO C[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001291122011 1063132988 /nfs/dbraw/zinc/13/29/88/1063132988.db2.gz IKIARBVEGZAJIB-OALUTQOASA-N 1 1 460.648 2.743 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291123164 1063136293 /nfs/dbraw/zinc/13/62/93/1063136293.db2.gz FVVUKMPVOOFEKI-IBGZPJMESA-N 1 1 490.052 2.801 20 0 JFADMO CC(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123312 1063137144 /nfs/dbraw/zinc/13/71/44/1063137144.db2.gz ITWPKSMDCZNLFH-FQEVSTJZSA-N 1 1 493.678 2.554 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2[C@@H]3CCC[C@@H]32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123471 1063137188 /nfs/dbraw/zinc/13/71/88/1063137188.db2.gz LNVMREAUCGOASR-RMMWZPCPSA-N 1 1 452.669 2.635 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295291951 1063137874 /nfs/dbraw/zinc/13/78/74/1063137874.db2.gz JBFPIZUNGDDZRG-NZQKXSOJSA-N 1 1 452.603 2.873 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123687 1063139182 /nfs/dbraw/zinc/13/91/82/1063139182.db2.gz OZEAHKMUXQILBR-CPJSRVTESA-N 1 1 476.666 2.703 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295293086 1063144100 /nfs/dbraw/zinc/14/41/00/1063144100.db2.gz FUIFPRVWANCNGE-RCZVLFRGSA-N 1 1 450.587 2.583 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)C1 ZINC001291125487 1063147970 /nfs/dbraw/zinc/14/79/70/1063147970.db2.gz VIEUZVBXRNLCOP-QYZOEREBSA-N 1 1 455.694 2.634 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C3CCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291125645 1063148666 /nfs/dbraw/zinc/14/86/66/1063148666.db2.gz YETXPYGNMMABTL-LJQANCHMSA-N 1 1 466.696 2.823 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125666 1063148905 /nfs/dbraw/zinc/14/89/05/1063148905.db2.gz YTEHRKMHHKQIFP-IBGZPJMESA-N 1 1 480.704 2.524 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291125732 1063149849 /nfs/dbraw/zinc/14/98/49/1063149849.db2.gz AFXHIHYAXVZALP-JOCHJYFZSA-N 1 1 467.662 2.513 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125732 1063149862 /nfs/dbraw/zinc/14/98/62/1063149862.db2.gz AFXHIHYAXVZALP-JOCHJYFZSA-N 1 1 467.662 2.513 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291125693 1063149936 /nfs/dbraw/zinc/14/99/36/1063149936.db2.gz ZGWQZXVMQSNKMO-ZWKOTPCHSA-N 1 1 460.573 2.971 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295297197 1063150284 /nfs/dbraw/zinc/15/02/84/1063150284.db2.gz WLIXNQODAAEQEU-RUZDIDTESA-N 1 1 491.640 2.681 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295297199 1063150307 /nfs/dbraw/zinc/15/03/07/1063150307.db2.gz WLIXNQODAAEQEU-VWLOTQADSA-N 1 1 491.640 2.681 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126516 1063155689 /nfs/dbraw/zinc/15/56/89/1063155689.db2.gz NIKVKDUXJACJDA-NRFANRHFSA-N 1 1 487.693 2.767 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CO)CC2)C1 ZINC001291126799 1063156883 /nfs/dbraw/zinc/15/68/83/1063156883.db2.gz SXGGEKAXKSMKDQ-SFHVURJKSA-N 1 1 475.037 2.802 20 0 JFADMO CC(C)N(Cc1ccco1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126886 1063156945 /nfs/dbraw/zinc/15/69/45/1063156945.db2.gz VEIWWFYPYDZXRY-ROUUACIJSA-N 1 1 452.625 2.628 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(N3CCN(S(C)(=O)=O)[C@@H](C)C3)nnc2C(C)(C)C)C1 ZINC001291127009 1063158813 /nfs/dbraw/zinc/15/88/13/1063158813.db2.gz XFEFSLHNAJLHBJ-OALUTQOASA-N 1 1 454.685 2.558 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127121 1063160345 /nfs/dbraw/zinc/16/03/45/1063160345.db2.gz ZAZDIDFXQCNUQO-QZTJIDSGSA-N 1 1 458.582 2.991 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291127228 1063161127 /nfs/dbraw/zinc/16/11/27/1063161127.db2.gz AMSOTPBWCRZHDD-RBUKOAKNSA-N 1 1 470.622 2.961 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)C1 ZINC001291128285 1063163149 /nfs/dbraw/zinc/16/31/49/1063163149.db2.gz UNAXMFYNGQBQHV-OAHLLOKOSA-N 1 1 463.508 2.922 20 0 JFADMO C[C@@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC001291128497 1063164211 /nfs/dbraw/zinc/16/42/11/1063164211.db2.gz YDESSBPYSKZSLF-LJQANCHMSA-N 1 1 498.598 2.502 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC001291128497 1063164231 /nfs/dbraw/zinc/16/42/31/1063164231.db2.gz YDESSBPYSKZSLF-LJQANCHMSA-N 1 1 498.598 2.502 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001291129029 1063167596 /nfs/dbraw/zinc/16/75/96/1063167596.db2.gz HHEFDOQKMMBOIF-JKSUJKDBSA-N 1 1 461.554 2.611 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001291129027 1063167679 /nfs/dbraw/zinc/16/76/79/1063167679.db2.gz HHEFDOQKMMBOIF-HOTGVXAUSA-N 1 1 461.554 2.611 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129349 1063169894 /nfs/dbraw/zinc/16/98/94/1063169894.db2.gz MQLVYIUHRZFSFD-SJORKVTESA-N 1 1 469.602 2.748 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001291129324 1063169931 /nfs/dbraw/zinc/16/99/31/1063169931.db2.gz MIOMWJDUJISEFM-MSOLQXFVSA-N 1 1 461.010 2.909 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCCCO)C1 ZINC001291129440 1063170768 /nfs/dbraw/zinc/17/07/68/1063170768.db2.gz OECZMIHRLAIZAH-LEWJYISDSA-N 1 1 494.681 2.917 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCCCO)C1 ZINC001291129442 1063172146 /nfs/dbraw/zinc/17/21/46/1063172146.db2.gz OECZMIHRLAIZAH-RTWAWAEBSA-N 1 1 494.681 2.917 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001291129551 1063172285 /nfs/dbraw/zinc/17/22/85/1063172285.db2.gz QQGPGKXZQGRCLB-MRXNPFEDSA-N 1 1 482.555 2.521 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291129582 1063173369 /nfs/dbraw/zinc/17/33/69/1063173369.db2.gz REJGICJQYGEAEL-RTWAWAEBSA-N 1 1 487.693 2.510 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001295308010 1063176566 /nfs/dbraw/zinc/17/65/66/1063176566.db2.gz RVVSVMFFYHGQTM-JOCHJYFZSA-N 1 1 495.672 2.873 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(N3CCN(CC(=O)N4CCCCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291130194 1063176764 /nfs/dbraw/zinc/17/67/64/1063176764.db2.gz CTJNVJHGXHNHSN-JOCHJYFZSA-N 1 1 473.710 2.832 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291130761 1063177594 /nfs/dbraw/zinc/17/75/94/1063177594.db2.gz OQRSFBOAWLIGFE-RQTOMXEWSA-N 1 1 479.666 2.681 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291136221 1063190870 /nfs/dbraw/zinc/19/08/70/1063190870.db2.gz SQLVFFCDAJMACH-ZWKOTPCHSA-N 1 1 471.631 2.689 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001291136246 1063190944 /nfs/dbraw/zinc/19/09/44/1063190944.db2.gz SZEOATIPCZRQTG-DLBZAZTESA-N 1 1 458.529 2.546 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295317982 1063192489 /nfs/dbraw/zinc/19/24/89/1063192489.db2.gz CAJIRZOZKUZINP-JOCHJYFZSA-N 1 1 499.635 2.729 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291136891 1063194321 /nfs/dbraw/zinc/19/43/21/1063194321.db2.gz GOFRNWCWUMSHEQ-MRXNPFEDSA-N 1 1 499.056 2.988 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291137587 1063196791 /nfs/dbraw/zinc/19/67/91/1063196791.db2.gz TWYWVRDFQWEQAI-KGLIPLIRSA-N 1 1 467.437 2.920 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001291137588 1063197046 /nfs/dbraw/zinc/19/70/46/1063197046.db2.gz TWYWVRDFQWEQAI-UONOGXRCSA-N 1 1 467.437 2.920 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001295318612 1063197783 /nfs/dbraw/zinc/19/77/83/1063197783.db2.gz LIOYHBJLQDQLSK-UHFFFAOYSA-N 1 1 456.639 2.782 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291137694 1063197933 /nfs/dbraw/zinc/19/79/33/1063197933.db2.gz WCEZKEUGQMLOPC-MSOLQXFVSA-N 1 1 456.595 2.713 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291137698 1063197978 /nfs/dbraw/zinc/19/79/78/1063197978.db2.gz WCHWFXOZFGVXEP-KRWDZBQOSA-N 1 1 456.591 2.552 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140203 1063206811 /nfs/dbraw/zinc/20/68/11/1063206811.db2.gz SOTQXHPKYBBJEF-VXKWHMMOSA-N 1 1 470.662 2.622 20 0 JFADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295323770 1063207130 /nfs/dbraw/zinc/20/71/30/1063207130.db2.gz TVUXQSSIOYCAIJ-SJLPKXTDSA-N 1 1 459.597 2.697 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCN(C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140204 1063206932 /nfs/dbraw/zinc/20/69/32/1063206932.db2.gz SOTQXHPKYBBJEF-YADHBBJMSA-N 1 1 470.662 2.622 20 0 JFADMO CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001295324604 1063209270 /nfs/dbraw/zinc/20/92/70/1063209270.db2.gz WCQIZQKBNSLRDI-FQEVSTJZSA-N 1 1 453.568 2.881 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001295325865 1063211167 /nfs/dbraw/zinc/21/11/67/1063211167.db2.gz VAJUZWHMQOINTE-MOPGFXCFSA-N 1 1 487.674 2.591 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001295325867 1063211919 /nfs/dbraw/zinc/21/19/19/1063211919.db2.gz VAJUZWHMQOINTE-RBUKOAKNSA-N 1 1 487.674 2.591 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N(C)C)CC1 ZINC001295326833 1063216828 /nfs/dbraw/zinc/21/68/28/1063216828.db2.gz CSQJHINIVSEDHS-UHFFFAOYSA-N 1 1 495.628 2.550 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N(C)C)CC1 ZINC001295326833 1063216847 /nfs/dbraw/zinc/21/68/47/1063216847.db2.gz CSQJHINIVSEDHS-UHFFFAOYSA-N 1 1 495.628 2.550 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1 ZINC001295326827 1063217209 /nfs/dbraw/zinc/21/72/09/1063217209.db2.gz CNFMJIKFKKRDCQ-UHFFFAOYSA-N 1 1 497.688 2.759 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)NC)CC1 ZINC001295326827 1063217224 /nfs/dbraw/zinc/21/72/24/1063217224.db2.gz CNFMJIKFKKRDCQ-UHFFFAOYSA-N 1 1 497.688 2.759 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCCC2=O)CC1 ZINC001295327164 1063220848 /nfs/dbraw/zinc/22/08/48/1063220848.db2.gz PMLHTDWGUVEVEU-UHFFFAOYSA-N 1 1 499.660 2.630 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCCCC2=O)CC1 ZINC001295327164 1063220872 /nfs/dbraw/zinc/22/08/72/1063220872.db2.gz PMLHTDWGUVEVEU-UHFFFAOYSA-N 1 1 499.660 2.630 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2F)CC1 ZINC001295327129 1063221159 /nfs/dbraw/zinc/22/11/59/1063221159.db2.gz OLABNOTYSHKTPW-UHFFFAOYSA-N 1 1 495.603 2.917 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)cc2F)CC1 ZINC001295327129 1063221181 /nfs/dbraw/zinc/22/11/81/1063221181.db2.gz OLABNOTYSHKTPW-UHFFFAOYSA-N 1 1 495.603 2.917 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295327270 1063222399 /nfs/dbraw/zinc/22/23/99/1063222399.db2.gz PZOVLJVWHFSICX-VWLOTQADSA-N 1 1 472.609 2.583 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295327270 1063222413 /nfs/dbraw/zinc/22/24/13/1063222413.db2.gz PZOVLJVWHFSICX-VWLOTQADSA-N 1 1 472.609 2.583 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001295329335 1063228387 /nfs/dbraw/zinc/22/83/87/1063228387.db2.gz SRFPOTZMXWKOOL-KRWDZBQOSA-N 1 1 462.561 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 ZINC001295329335 1063228404 /nfs/dbraw/zinc/22/84/04/1063228404.db2.gz SRFPOTZMXWKOOL-KRWDZBQOSA-N 1 1 462.561 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2CCc2ccc(Cl)c(OC)c2)CC1 ZINC001295329283 1063228690 /nfs/dbraw/zinc/22/86/90/1063228690.db2.gz RNWUEGXSGJJRCZ-UHFFFAOYSA-N 1 1 463.026 2.872 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2CCc2ccc(Cl)c(OC)c2)CC1 ZINC001295329283 1063228705 /nfs/dbraw/zinc/22/87/05/1063228705.db2.gz RNWUEGXSGJJRCZ-UHFFFAOYSA-N 1 1 463.026 2.872 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC001291145921 1063229803 /nfs/dbraw/zinc/22/98/03/1063229803.db2.gz SDHWMSNSSVBEJI-OAQYLSRUSA-N 1 1 486.686 2.731 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291146527 1063231155 /nfs/dbraw/zinc/23/11/55/1063231155.db2.gz GMDWEWUZZPUMMH-XLIONFOSSA-N 1 1 461.010 2.555 20 0 JFADMO CCOC(=O)CNC(=O)C1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC001295332230 1063231637 /nfs/dbraw/zinc/23/16/37/1063231637.db2.gz FFAXCTSBTPXFFK-UHFFFAOYSA-N 1 1 451.567 2.850 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCCc2c[nH]nc2C)CC1 ZINC001295333814 1063232803 /nfs/dbraw/zinc/23/28/03/1063232803.db2.gz AYSQLUHOHUIYOI-UHFFFAOYSA-N 1 1 470.666 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCCc2c[nH]nc2C)CC1 ZINC001295333814 1063232829 /nfs/dbraw/zinc/23/28/29/1063232829.db2.gz AYSQLUHOHUIYOI-UHFFFAOYSA-N 1 1 470.666 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295333942 1063234853 /nfs/dbraw/zinc/23/48/53/1063234853.db2.gz DUUDPZCMZKTTML-LEWJYISDSA-N 1 1 472.609 2.789 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295333942 1063234871 /nfs/dbraw/zinc/23/48/71/1063234871.db2.gz DUUDPZCMZKTTML-LEWJYISDSA-N 1 1 472.609 2.789 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3C)n2CC[C@H]2CCOC2)CC1 ZINC001295334243 1063236381 /nfs/dbraw/zinc/23/63/81/1063236381.db2.gz IMYJFQYGPBQSCB-QHCPKHFHSA-N 1 1 482.673 2.984 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3C)n2CC[C@H]2CCOC2)CC1 ZINC001295334243 1063236403 /nfs/dbraw/zinc/23/64/03/1063236403.db2.gz IMYJFQYGPBQSCB-QHCPKHFHSA-N 1 1 482.673 2.984 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236827 /nfs/dbraw/zinc/23/68/27/1063236827.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 1 1 475.726 2.979 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)CCCO2)CC1 ZINC001295334285 1063236952 /nfs/dbraw/zinc/23/69/52/1063236952.db2.gz JNKRUFUWNWLLRO-RUZDIDTESA-N 1 1 460.667 2.960 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@]2(C)CCCO2)CC1 ZINC001295334285 1063236971 /nfs/dbraw/zinc/23/69/71/1063236971.db2.gz JNKRUFUWNWLLRO-RUZDIDTESA-N 1 1 460.667 2.960 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@H]2C)[C@@H]1C ZINC001291150488 1063237998 /nfs/dbraw/zinc/23/79/98/1063237998.db2.gz DGNHDHBYUNNYOD-GUDVDZBRSA-N 1 1 460.648 2.914 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCC3)n2CCCOC(F)(F)F)CC1 ZINC001295334392 1063238332 /nfs/dbraw/zinc/23/83/32/1063238332.db2.gz MPVSDWHSRDWWAG-UHFFFAOYSA-N 1 1 460.545 2.853 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCC3)n2CCCOC(F)(F)F)CC1 ZINC001295334392 1063238353 /nfs/dbraw/zinc/23/83/53/1063238353.db2.gz MPVSDWHSRDWWAG-UHFFFAOYSA-N 1 1 460.545 2.853 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001291150490 1063238450 /nfs/dbraw/zinc/23/84/50/1063238450.db2.gz DGNHDHBYUNNYOD-QYZOEREBSA-N 1 1 460.648 2.914 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295334412 1063238904 /nfs/dbraw/zinc/23/89/04/1063238904.db2.gz NJZYEFRCOCZWAT-FQEVSTJZSA-N 1 1 490.599 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295334412 1063238923 /nfs/dbraw/zinc/23/89/23/1063238923.db2.gz NJZYEFRCOCZWAT-FQEVSTJZSA-N 1 1 490.599 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001295334453 1063240247 /nfs/dbraw/zinc/24/02/47/1063240247.db2.gz ONFADMZIQKEWRK-QFIPXVFZSA-N 1 1 485.677 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001295334453 1063240255 /nfs/dbraw/zinc/24/02/55/1063240255.db2.gz ONFADMZIQKEWRK-QFIPXVFZSA-N 1 1 485.677 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CC)c2)CC1 ZINC001295334630 1063241331 /nfs/dbraw/zinc/24/13/31/1063241331.db2.gz QVHPXEUFRHJPIC-UHFFFAOYSA-N 1 1 484.674 2.576 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2cnn(CC)c2)CC1 ZINC001295334630 1063241345 /nfs/dbraw/zinc/24/13/45/1063241345.db2.gz QVHPXEUFRHJPIC-UHFFFAOYSA-N 1 1 484.674 2.576 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001295334809 1063242201 /nfs/dbraw/zinc/24/22/01/1063242201.db2.gz SZRGGMRUSJSCBZ-KCWPFWIISA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001295334809 1063242220 /nfs/dbraw/zinc/24/22/20/1063242220.db2.gz SZRGGMRUSJSCBZ-KCWPFWIISA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCC2)CC1 ZINC001295334911 1063245692 /nfs/dbraw/zinc/24/56/92/1063245692.db2.gz IVJGVXKLPKTTAL-FIXSFTCYSA-N 1 1 488.677 2.739 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCC2)CC1 ZINC001295334911 1063245710 /nfs/dbraw/zinc/24/57/10/1063245710.db2.gz IVJGVXKLPKTTAL-FIXSFTCYSA-N 1 1 488.677 2.739 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(F)(F)C2)CC1 ZINC001295334915 1063245908 /nfs/dbraw/zinc/24/59/08/1063245908.db2.gz IYZNOZJRLMYRAH-UHFFFAOYSA-N 1 1 492.619 2.566 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(F)(F)C2)CC1 ZINC001295334915 1063245922 /nfs/dbraw/zinc/24/59/22/1063245922.db2.gz IYZNOZJRLMYRAH-UHFFFAOYSA-N 1 1 492.619 2.566 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247274 /nfs/dbraw/zinc/24/72/74/1063247274.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295335037 1063247498 /nfs/dbraw/zinc/24/74/98/1063247498.db2.gz WWZACBUNIFMOGQ-UYAOXDASSA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295335037 1063247511 /nfs/dbraw/zinc/24/75/11/1063247511.db2.gz WWZACBUNIFMOGQ-UYAOXDASSA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001295335075 1063248467 /nfs/dbraw/zinc/24/84/67/1063248467.db2.gz XZYURAJRDCOSKR-QFIPXVFZSA-N 1 1 484.645 2.528 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001295335075 1063248487 /nfs/dbraw/zinc/24/84/87/1063248487.db2.gz XZYURAJRDCOSKR-QFIPXVFZSA-N 1 1 484.645 2.528 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291164360 1063248475 /nfs/dbraw/zinc/24/84/75/1063248475.db2.gz TYKVJXUEIQIQOQ-KYCQWFEFSA-N 1 1 476.666 2.942 20 0 JFADMO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291165184 1063249749 /nfs/dbraw/zinc/24/97/49/1063249749.db2.gz HEDFXIPZFZBOLM-MPCDZSKCSA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295338042 1063264912 /nfs/dbraw/zinc/26/49/12/1063264912.db2.gz LJOXGGNDHQVCMM-UHFFFAOYSA-N 1 1 496.704 2.761 20 0 JFADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C[C@@H](C)O1 ZINC001291185580 1063286484 /nfs/dbraw/zinc/28/64/84/1063286484.db2.gz JJCQSYVMKNFYJJ-RTBURBONSA-N 1 1 478.601 2.845 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186659 1063292097 /nfs/dbraw/zinc/29/20/97/1063292097.db2.gz INMXITCBJLKWFR-ZVDOUQERSA-N 1 1 476.666 2.889 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C[C@H](C)O1 ZINC001291187003 1063293886 /nfs/dbraw/zinc/29/38/86/1063293886.db2.gz NJUDNVYPRCUFSK-HDICACEKSA-N 1 1 465.602 2.896 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187409 1063295481 /nfs/dbraw/zinc/29/54/81/1063295481.db2.gz UGLULQXLQVQWSP-BGYRXZFFSA-N 1 1 469.634 2.647 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187354 1063296025 /nfs/dbraw/zinc/29/60/25/1063296025.db2.gz SVACXBWNHSOFHH-OTWHNJEPSA-N 1 1 488.608 2.771 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187452 1063296585 /nfs/dbraw/zinc/29/65/85/1063296585.db2.gz USEHEPBJAOCVMT-HGJUEJDCSA-N 1 1 496.722 2.935 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001295351050 1063296776 /nfs/dbraw/zinc/29/67/76/1063296776.db2.gz MNJOVYJBSPRMIB-UHFFFAOYSA-N 1 1 495.607 2.590 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291187776 1063298078 /nfs/dbraw/zinc/29/80/78/1063298078.db2.gz ZGJNYHYKEQVXOB-ZCNNSNEGSA-N 1 1 496.722 2.589 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001295351592 1063298819 /nfs/dbraw/zinc/29/88/19/1063298819.db2.gz SKAGLNJCDDLIJE-UHFFFAOYSA-N 1 1 461.655 2.630 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295358377 1063315450 /nfs/dbraw/zinc/31/54/50/1063315450.db2.gz JEQJOUDGTQJAFX-UHFFFAOYSA-N 1 1 485.608 2.842 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001295359433 1063319689 /nfs/dbraw/zinc/31/96/89/1063319689.db2.gz YEYPSCOHELDDLE-OAQYLSRUSA-N 1 1 455.651 2.777 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195916 1063335955 /nfs/dbraw/zinc/33/59/55/1063335955.db2.gz ANXYNNDLTMFEPC-MSOLQXFVSA-N 1 1 485.599 2.707 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001295373610 1063341544 /nfs/dbraw/zinc/34/15/44/1063341544.db2.gz QJXMRFHAMPUBAF-YADHBBJMSA-N 1 1 455.651 2.927 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001291197384 1063343169 /nfs/dbraw/zinc/34/31/69/1063343169.db2.gz DCZCHOXIUMHCQQ-HOTGVXAUSA-N 1 1 469.512 2.812 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C[C@H](C)S1 ZINC001291198879 1063350458 /nfs/dbraw/zinc/35/04/58/1063350458.db2.gz DHMRUORBTPMXQY-HDICACEKSA-N 1 1 493.077 2.914 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC001291201451 1063357182 /nfs/dbraw/zinc/35/71/82/1063357182.db2.gz WACUAWXJKMOWHF-NVXWUHKLSA-N 1 1 450.534 2.777 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001295384086 1063358450 /nfs/dbraw/zinc/35/84/50/1063358450.db2.gz FIMHNBQWXHMPKI-VXKWHMMOSA-N 1 1 467.662 2.842 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291203849 1063360398 /nfs/dbraw/zinc/36/03/98/1063360398.db2.gz LQKWKKPOHZZLQA-SFHVURJKSA-N 1 1 460.648 2.602 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001295387583 1063364612 /nfs/dbraw/zinc/36/46/12/1063364612.db2.gz GHUFYIIYIBLQJS-GMAHTHKFSA-N 1 1 455.651 2.543 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291206481 1063369368 /nfs/dbraw/zinc/36/93/68/1063369368.db2.gz XALISGXRSNBXAQ-ZWKOTPCHSA-N 1 1 454.685 2.881 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC001295404433 1063390543 /nfs/dbraw/zinc/39/05/43/1063390543.db2.gz CITNDCKFLWAFGC-HNJRGHQBSA-N 1 1 481.688 2.938 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210878 1063390813 /nfs/dbraw/zinc/39/08/13/1063390813.db2.gz KBELEELJWDDSMR-GOEBONIOSA-N 1 1 469.453 2.824 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC001295406181 1063395646 /nfs/dbraw/zinc/39/56/46/1063395646.db2.gz VWCYDMLVBJRGKE-AUSIDOKSSA-N 1 1 479.647 2.564 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291213901 1063409425 /nfs/dbraw/zinc/40/94/25/1063409425.db2.gz MUZBCDVUSPFIIT-RBUKOAKNSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291213900 1063409496 /nfs/dbraw/zinc/40/94/96/1063409496.db2.gz MUZBCDVUSPFIIT-OALUTQOASA-N 1 1 490.674 2.683 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295426835 1063439729 /nfs/dbraw/zinc/43/97/29/1063439729.db2.gz FMVBYCZTJVKUEQ-LJQANCHMSA-N 1 1 477.679 2.750 20 0 JFADMO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295441383 1063446668 /nfs/dbraw/zinc/44/66/68/1063446668.db2.gz RCRFKFSWJNFFAZ-JOCHJYFZSA-N 1 1 450.583 2.690 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CC(F)(F)F ZINC001291219824 1063448378 /nfs/dbraw/zinc/44/83/78/1063448378.db2.gz RZEJTUMSIJMQES-YWZLYKJASA-N 1 1 472.943 2.738 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)CC1 ZINC001295466643 1063471946 /nfs/dbraw/zinc/47/19/46/1063471946.db2.gz XTQHBGRMLSXXKV-GOSISDBHSA-N 1 1 462.664 2.609 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291228480 1063478504 /nfs/dbraw/zinc/47/85/04/1063478504.db2.gz SLMLNSOUQUKQPY-RKVPGOIHSA-N 1 1 457.472 2.961 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229787 1063482245 /nfs/dbraw/zinc/48/22/45/1063482245.db2.gz OFOIDIPLYNREMO-SJLPKXTDSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229787 1063482256 /nfs/dbraw/zinc/48/22/56/1063482256.db2.gz OFOIDIPLYNREMO-SJLPKXTDSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229787 1063482266 /nfs/dbraw/zinc/48/22/66/1063482266.db2.gz OFOIDIPLYNREMO-SJLPKXTDSA-N 1 1 467.540 2.522 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001295474827 1063483067 /nfs/dbraw/zinc/48/30/67/1063483067.db2.gz HVOUQKSPDZXCGI-GOTSBHOMSA-N 1 1 486.709 2.950 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230755 1063484943 /nfs/dbraw/zinc/48/49/43/1063484943.db2.gz IHQVSUBUEACIEZ-LJQANCHMSA-N 1 1 455.607 2.991 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001291231323 1063485954 /nfs/dbraw/zinc/48/59/54/1063485954.db2.gz RQDRBBZZCWWTLV-WSTZPKSXSA-N 1 1 459.664 2.557 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001291237995 1063504654 /nfs/dbraw/zinc/50/46/54/1063504654.db2.gz HUYDUMPSQBOAQI-INIZCTEOSA-N 1 1 452.529 2.540 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001291241028 1063511372 /nfs/dbraw/zinc/51/13/72/1063511372.db2.gz JBNWLIQKFJXFGT-QZWWFDLISA-N 1 1 458.529 2.506 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249342 1063526063 /nfs/dbraw/zinc/52/60/63/1063526063.db2.gz CXDRPMCFOIVWAV-ACRUOGEOSA-N 1 1 460.667 2.987 20 0 JFADMO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291256220 1063547218 /nfs/dbraw/zinc/54/72/18/1063547218.db2.gz RJWUNNDHXNAUSI-NLWGTHIKSA-N 1 1 478.638 2.684 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291265352 1063565727 /nfs/dbraw/zinc/56/57/27/1063565727.db2.gz SFRMUWYAJQUUGJ-DOTOQJQBSA-N 1 1 456.538 2.674 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291265353 1063566272 /nfs/dbraw/zinc/56/62/72/1063566272.db2.gz SFRMUWYAJQUUGJ-NVXWUHKLSA-N 1 1 456.538 2.674 20 0 JFADMO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001295535479 1063572425 /nfs/dbraw/zinc/57/24/25/1063572425.db2.gz WAQMFHJFPKOEEV-JOCHJYFZSA-N 1 1 453.635 2.592 20 0 JFADMO C[C@@H]1CN(c2nnc(CC3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291270577 1063576277 /nfs/dbraw/zinc/57/62/77/1063576277.db2.gz KOTGQFHKPNKBQJ-IEBWSBKVSA-N 1 1 458.573 2.540 20 0 JFADMO C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291274712 1063580427 /nfs/dbraw/zinc/58/04/27/1063580427.db2.gz GAYNAMYEMXPYKI-BHDDXSALSA-N 1 1 471.719 2.923 20 0 JFADMO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275767 1063584580 /nfs/dbraw/zinc/58/45/80/1063584580.db2.gz YVOGMUOZLLWWMZ-JTHBVZDNSA-N 1 1 468.646 2.621 20 0 JFADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276865 1063587997 /nfs/dbraw/zinc/58/79/97/1063587997.db2.gz TWQBXCMQHKOWDV-HKUYNNGSSA-N 1 1 480.535 2.689 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276867 1063588480 /nfs/dbraw/zinc/58/84/80/1063588480.db2.gz TWQBXCMQHKOWDV-MJGOQNOKSA-N 1 1 480.535 2.689 20 0 JFADMO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291277052 1063589558 /nfs/dbraw/zinc/58/95/58/1063589558.db2.gz WXXXRUHCDZTFJD-IBGZPJMESA-N 1 1 489.665 2.721 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001291277477 1063590601 /nfs/dbraw/zinc/59/06/01/1063590601.db2.gz DUCCALFXFFIUTJ-AOMKIAJQSA-N 1 1 494.434 2.690 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001291277479 1063590630 /nfs/dbraw/zinc/59/06/30/1063590630.db2.gz DUCCALFXFFIUTJ-OPAMFIHVSA-N 1 1 494.434 2.690 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001291280295 1063602564 /nfs/dbraw/zinc/60/25/64/1063602564.db2.gz DCYHWJPPUJACEU-AZUAARDMSA-N 1 1 464.010 2.973 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001295578658 1063618918 /nfs/dbraw/zinc/61/89/18/1063618918.db2.gz NUTLXCBCTCEQLE-IBGZPJMESA-N 1 1 481.645 2.725 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1CC[N@@H+](C)C(C)C ZINC001295582723 1063625904 /nfs/dbraw/zinc/62/59/04/1063625904.db2.gz CSRAONPDFWDFRI-UHFFFAOYSA-N 1 1 450.591 2.804 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001291286100 1063630021 /nfs/dbraw/zinc/63/00/21/1063630021.db2.gz CJJXHCKMMGWDIK-UWHLTILDSA-N 1 1 492.665 2.511 20 0 JFADMO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286640 1063633709 /nfs/dbraw/zinc/63/37/09/1063633709.db2.gz MOCFEINZMNQHSD-LJQANCHMSA-N 1 1 475.659 2.684 20 0 JFADMO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286640 1063633714 /nfs/dbraw/zinc/63/37/14/1063633714.db2.gz MOCFEINZMNQHSD-LJQANCHMSA-N 1 1 475.659 2.684 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCOCC2)CCS1 ZINC001291287187 1063637365 /nfs/dbraw/zinc/63/73/65/1063637365.db2.gz WTYLMXDWKNBVSJ-GBESFXJTSA-N 1 1 480.679 2.713 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287457 1063639646 /nfs/dbraw/zinc/63/96/46/1063639646.db2.gz BVSUHHVXYKZYQR-AABGKKOBSA-N 1 1 488.608 2.760 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C ZINC001291287472 1063639712 /nfs/dbraw/zinc/63/97/12/1063639712.db2.gz CECIRDXRDKXAEQ-NRFANRHFSA-N 1 1 461.614 2.843 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCO1 ZINC001291287710 1063642333 /nfs/dbraw/zinc/64/23/33/1063642333.db2.gz GOUIJUYPANJXHD-PMACEKPBSA-N 1 1 485.633 2.678 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295598537 1063642346 /nfs/dbraw/zinc/64/23/46/1063642346.db2.gz OICUHYRCRDVFFU-QFIPXVFZSA-N 1 1 472.609 2.923 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288060 1063646005 /nfs/dbraw/zinc/64/60/05/1063646005.db2.gz MRVALXSLHOPZQB-AQNXPRMDSA-N 1 1 488.608 2.760 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288061 1063646066 /nfs/dbraw/zinc/64/60/66/1063646066.db2.gz MRVALXSLHOPZQB-UFYCRDLUSA-N 1 1 488.608 2.760 20 0 JFADMO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001291288376 1063647871 /nfs/dbraw/zinc/64/78/71/1063647871.db2.gz RGAFHJCBCSFCEK-SZPZYZBQSA-N 1 1 462.683 2.982 20 0 JFADMO CCN(Cc1ccc(OC)cc1OC)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCSCC1 ZINC001295605789 1063652177 /nfs/dbraw/zinc/65/21/77/1063652177.db2.gz TYEKMXVRKAKYEH-UHFFFAOYSA-N 1 1 488.658 2.607 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291289624 1063657955 /nfs/dbraw/zinc/65/79/55/1063657955.db2.gz MZMVRDCDWWXPDJ-BGYRXZFFSA-N 1 1 469.634 2.580 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291290040 1063661596 /nfs/dbraw/zinc/66/15/96/1063661596.db2.gz UHMBGWRCNLDLHD-QGZVFWFLSA-N 1 1 456.982 2.921 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CCC(N)=O)CC2)CCCO1 ZINC001291290116 1063663162 /nfs/dbraw/zinc/66/31/62/1063663162.db2.gz VFILUZNGSLXWFG-SFHVURJKSA-N 1 1 490.052 2.976 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291290843 1063665573 /nfs/dbraw/zinc/66/55/73/1063665573.db2.gz GSOOVTAMQHRHPV-WSTZPKSXSA-N 1 1 462.639 2.512 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291398 1063670346 /nfs/dbraw/zinc/67/03/46/1063670346.db2.gz OKLQZKCVBMLKMC-GBESFXJTSA-N 1 1 481.601 2.800 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)C[C@H](C)O1 ZINC001291291897 1063672465 /nfs/dbraw/zinc/67/24/65/1063672465.db2.gz VXOINQBIMVOGRB-NSHGMRRFSA-N 1 1 491.036 2.897 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673540 /nfs/dbraw/zinc/67/35/40/1063673540.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 1 1 472.682 2.735 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673548 /nfs/dbraw/zinc/67/35/48/1063673548.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 1 1 472.682 2.735 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc(-c2cccc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295629451 1063673791 /nfs/dbraw/zinc/67/37/91/1063673791.db2.gz NPJXWFFQBPYROI-UHFFFAOYSA-N 1 1 465.577 2.978 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291293172 1063682835 /nfs/dbraw/zinc/68/28/35/1063682835.db2.gz QAEDBKMJCQMYRR-NRFANRHFSA-N 1 1 476.616 2.951 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCO1 ZINC001291293208 1063683750 /nfs/dbraw/zinc/68/37/50/1063683750.db2.gz QRMWTOZOGYPBKC-MJGOQNOKSA-N 1 1 468.524 2.532 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(COc3ccccc3F)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291294089 1063687872 /nfs/dbraw/zinc/68/78/72/1063687872.db2.gz DYLAMPFVMKCIBR-LJQANCHMSA-N 1 1 469.565 2.924 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294111 1063688545 /nfs/dbraw/zinc/68/85/45/1063688545.db2.gz FGLAKMOJZDJLAN-WIYYLYMNSA-N 1 1 474.675 2.855 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294650 1063690437 /nfs/dbraw/zinc/69/04/37/1063690437.db2.gz NIYKWZREARBJFE-CZUORRHYSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291294884 1063692601 /nfs/dbraw/zinc/69/26/01/1063692601.db2.gz QVYNLCHAFMBKRL-KDURUIRLSA-N 1 1 496.578 2.883 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295650893 1063693158 /nfs/dbraw/zinc/69/31/58/1063693158.db2.gz BTXVRMLFMKWVLJ-HXUWFJFHSA-N 1 1 468.606 2.549 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295171 1063694385 /nfs/dbraw/zinc/69/43/85/1063694385.db2.gz VRDYDUUCDFUSCR-YJBOKZPZSA-N 1 1 482.448 2.815 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001295663016 1063705398 /nfs/dbraw/zinc/70/53/98/1063705398.db2.gz MEHMSEZDWYTVMA-FQEVSTJZSA-N 1 1 452.607 2.525 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291301854 1063710130 /nfs/dbraw/zinc/71/01/30/1063710130.db2.gz LXHVMMCDHZUNPD-FUHWJXTLSA-N 1 1 481.439 2.508 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291302036 1063711366 /nfs/dbraw/zinc/71/13/66/1063711366.db2.gz OWHBYGHMFFMYTB-LJQANCHMSA-N 1 1 490.674 2.685 20 0 JFADMO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)C)n1CCC[NH+]1CCOCC1 ZINC001295671906 1063714297 /nfs/dbraw/zinc/71/42/97/1063714297.db2.gz KSJPPFAOGSFAOX-UHFFFAOYSA-N 1 1 453.591 2.874 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291306678 1063719891 /nfs/dbraw/zinc/71/98/91/1063719891.db2.gz DRKNGDSWEJVZFI-OALUTQOASA-N 1 1 484.626 2.662 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291306678 1063719912 /nfs/dbraw/zinc/71/99/12/1063719912.db2.gz DRKNGDSWEJVZFI-OALUTQOASA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 ZINC001291307097 1063721987 /nfs/dbraw/zinc/72/19/87/1063721987.db2.gz MLLYTNQJOJLXEC-KRWDZBQOSA-N 1 1 474.407 2.761 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCn1cccn1 ZINC001291307097 1063722005 /nfs/dbraw/zinc/72/20/05/1063722005.db2.gz MLLYTNQJOJLXEC-KRWDZBQOSA-N 1 1 474.407 2.761 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291307232 1063722392 /nfs/dbraw/zinc/72/23/92/1063722392.db2.gz PFRDTCXEGARGOL-ZDUSSCGKSA-N 1 1 497.829 2.780 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291307232 1063722406 /nfs/dbraw/zinc/72/24/06/1063722406.db2.gz PFRDTCXEGARGOL-ZDUSSCGKSA-N 1 1 497.829 2.780 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001291307465 1063723534 /nfs/dbraw/zinc/72/35/34/1063723534.db2.gz UOPFOIONGJGALO-CABCVRRESA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001291307465 1063723545 /nfs/dbraw/zinc/72/35/45/1063723545.db2.gz UOPFOIONGJGALO-CABCVRRESA-N 1 1 467.412 2.760 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291307655 1063725896 /nfs/dbraw/zinc/72/58/96/1063725896.db2.gz YLKPJHASJVOZKW-GOSISDBHSA-N 1 1 490.052 2.797 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291307655 1063725900 /nfs/dbraw/zinc/72/59/00/1063725900.db2.gz YLKPJHASJVOZKW-GOSISDBHSA-N 1 1 490.052 2.797 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001295713672 1063731943 /nfs/dbraw/zinc/73/19/43/1063731943.db2.gz GZZCQMWPTLQBBY-XZOQPEGZSA-N 1 1 484.645 2.713 20 0 JFADMO C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291314327 1063746454 /nfs/dbraw/zinc/74/64/54/1063746454.db2.gz ZAYLSJPZSSATPE-MJGOQNOKSA-N 1 1 462.689 2.815 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1C ZINC001295741203 1063748800 /nfs/dbraw/zinc/74/88/00/1063748800.db2.gz XLONCKBCMNKYDW-NSHDSACASA-N 1 1 450.704 2.654 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@@H]1C ZINC001295741203 1063748811 /nfs/dbraw/zinc/74/88/11/1063748811.db2.gz XLONCKBCMNKYDW-NSHDSACASA-N 1 1 450.704 2.654 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295748491 1063753581 /nfs/dbraw/zinc/75/35/81/1063753581.db2.gz KWWSBKJPEROJTL-WIYBCGNWSA-N 1 1 479.666 2.895 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291323124 1063768867 /nfs/dbraw/zinc/76/88/67/1063768867.db2.gz GPGISABSJJKBRK-CPJSRVTESA-N 1 1 457.619 2.750 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291324805 1063772706 /nfs/dbraw/zinc/77/27/06/1063772706.db2.gz AMBSTVUTXRAUQA-MHECFPHRSA-N 1 1 461.582 2.847 20 0 JFADMO C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291331381 1063786975 /nfs/dbraw/zinc/78/69/75/1063786975.db2.gz IKYPLZSVRCDTDF-SVFBPWRDSA-N 1 1 471.675 2.537 20 0 JFADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295791250 1063789699 /nfs/dbraw/zinc/78/96/99/1063789699.db2.gz LEKLEPNUZLTZCP-FQEVSTJZSA-N 1 1 451.413 2.739 20 0 JFADMO CCN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC001295805318 1063794753 /nfs/dbraw/zinc/79/47/53/1063794753.db2.gz CNICAFZREHQRDC-HXUWFJFHSA-N 1 1 481.066 2.945 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001291335381 1063796333 /nfs/dbraw/zinc/79/63/33/1063796333.db2.gz PHHFKXWULHBEGB-IFMALSPDSA-N 1 1 481.645 2.984 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C1 ZINC001291339405 1063812908 /nfs/dbraw/zinc/81/29/08/1063812908.db2.gz NCBOLPZCMHWUKH-IBGZPJMESA-N 1 1 467.574 2.662 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816021 1063820913 /nfs/dbraw/zinc/82/09/13/1063820913.db2.gz RGQHPVLOGIJEFO-MOPGFXCFSA-N 1 1 489.665 2.738 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816026 1063821256 /nfs/dbraw/zinc/82/12/56/1063821256.db2.gz RGQHPVLOGIJEFO-OALUTQOASA-N 1 1 489.665 2.738 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001291341569 1063822519 /nfs/dbraw/zinc/82/25/19/1063822519.db2.gz FXKQAKYBEFFITM-RTWAWAEBSA-N 1 1 469.634 2.644 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1)C(C)C ZINC001295818693 1063822988 /nfs/dbraw/zinc/82/29/88/1063822988.db2.gz AFUUWUXWDSAJTL-GOSISDBHSA-N 1 1 487.674 2.705 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1)C1CC1 ZINC001295820703 1063826060 /nfs/dbraw/zinc/82/60/60/1063826060.db2.gz HAYAEFOXMZIMSV-UHFFFAOYSA-N 1 1 470.618 2.523 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)CCC(F)(F)F ZINC001295820659 1063826111 /nfs/dbraw/zinc/82/61/11/1063826111.db2.gz GLKBOMUHEODTPB-SJORKVTESA-N 1 1 460.545 2.696 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1)C(C)C ZINC001295821121 1063827397 /nfs/dbraw/zinc/82/73/97/1063827397.db2.gz MOIYNPUEMQNFNS-UHFFFAOYSA-N 1 1 497.673 2.743 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001291343025 1063827798 /nfs/dbraw/zinc/82/77/98/1063827798.db2.gz FCTUDFUCXNUYIA-ILWGZMRPSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CC2)C1)CCC(F)(F)F ZINC001295821619 1063828011 /nfs/dbraw/zinc/82/80/11/1063828011.db2.gz RTQJBVOFSBUEKQ-UHFFFAOYSA-N 1 1 481.523 2.817 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295822340 1063828342 /nfs/dbraw/zinc/82/83/42/1063828342.db2.gz ZGUYYZJNZZZMKG-GOSISDBHSA-N 1 1 465.643 2.640 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1)C1CC1 ZINC001295825182 1063833453 /nfs/dbraw/zinc/83/34/53/1063833453.db2.gz PPTZYZQPRUUTCY-CYBMUJFWSA-N 1 1 451.369 2.519 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1)C1CC1 ZINC001295825183 1063833610 /nfs/dbraw/zinc/83/36/10/1063833610.db2.gz PPTZYZQPRUUTCY-ZDUSSCGKSA-N 1 1 451.369 2.519 20 0 JFADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001295827230 1063836787 /nfs/dbraw/zinc/83/67/87/1063836787.db2.gz AOQCWFVSQODHAL-XMMPIXPASA-N 1 1 457.018 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@H]1C ZINC001295827693 1063837829 /nfs/dbraw/zinc/83/78/29/1063837829.db2.gz DVUKSBVITBRUGW-MSOLQXFVSA-N 1 1 457.596 2.922 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001291345413 1063839290 /nfs/dbraw/zinc/83/92/90/1063839290.db2.gz XELRFKAOABHPLO-HSZRJFAPSA-N 1 1 461.614 2.891 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001295829383 1063840911 /nfs/dbraw/zinc/84/09/11/1063840911.db2.gz HBBHBCRHHWYGGV-UHFFFAOYSA-N 1 1 461.408 2.827 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001295830071 1063843540 /nfs/dbraw/zinc/84/35/40/1063843540.db2.gz LDZAODKSIFFSAR-UYAOXDASSA-N 1 1 462.042 2.881 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001291347183 1063848135 /nfs/dbraw/zinc/84/81/35/1063848135.db2.gz IAGCCQKNVCASIU-LEWJYISDSA-N 1 1 458.582 2.896 20 0 JFADMO C[N@@H+](CCCO)C1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001295833548 1063848042 /nfs/dbraw/zinc/84/80/42/1063848042.db2.gz WILFWMIGARNROR-HSZRJFAPSA-N 1 1 454.571 2.884 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001295834015 1063849343 /nfs/dbraw/zinc/84/93/43/1063849343.db2.gz MSCWXDUQGAUXKM-UHFFFAOYSA-N 1 1 461.408 2.894 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291348840 1063854900 /nfs/dbraw/zinc/85/49/00/1063854900.db2.gz YHIJHAGZLFAVHN-XWUOBKMESA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C(C)C ZINC001295837493 1063855038 /nfs/dbraw/zinc/85/50/38/1063855038.db2.gz MXPWYNOJNCAOBT-UHFFFAOYSA-N 1 1 469.556 2.909 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)C(C)C ZINC001295837655 1063855653 /nfs/dbraw/zinc/85/56/53/1063855653.db2.gz AWYOONSVZPQCGZ-GOTSBHOMSA-N 1 1 496.704 2.697 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC001295838074 1063855997 /nfs/dbraw/zinc/85/59/97/1063855997.db2.gz SILKXRWMUURNBE-XZOQPEGZSA-N 1 1 496.704 2.887 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)CCC(F)(F)F ZINC001295839367 1063858485 /nfs/dbraw/zinc/85/84/85/1063858485.db2.gz UMPNNWIWUZTYHJ-DOTOQJQBSA-N 1 1 453.513 2.605 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1)CCC(F)(F)F ZINC001295839831 1063859176 /nfs/dbraw/zinc/85/91/76/1063859176.db2.gz ZEVGJIMSKPKZHX-UHFFFAOYSA-N 1 1 496.582 2.934 20 0 JFADMO CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295841369 1063859829 /nfs/dbraw/zinc/85/98/29/1063859829.db2.gz CPWIDGYYHGBQKM-LJQANCHMSA-N 1 1 498.598 2.502 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295841369 1063859837 /nfs/dbraw/zinc/85/98/37/1063859837.db2.gz CPWIDGYYHGBQKM-LJQANCHMSA-N 1 1 498.598 2.502 20 0 JFADMO CC[N@@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCCO1)C(C)C ZINC001295842584 1063862657 /nfs/dbraw/zinc/86/26/57/1063862657.db2.gz YHSGKQRUKZOROR-LJQANCHMSA-N 1 1 477.679 2.974 20 0 JFADMO CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845194 1063866047 /nfs/dbraw/zinc/86/60/47/1063866047.db2.gz KXOCXYPTWDGGTR-GOSISDBHSA-N 1 1 471.572 2.568 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC001295845615 1063867107 /nfs/dbraw/zinc/86/71/07/1063867107.db2.gz QUFNQFNKBMHROV-FCHUYYIVSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CC(=O)NC)CC1)C(C)C ZINC001295846267 1063868227 /nfs/dbraw/zinc/86/82/27/1063868227.db2.gz PSMFUFGZSQPWBU-UHFFFAOYSA-N 1 1 480.617 2.677 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846560 1063868975 /nfs/dbraw/zinc/86/89/75/1063868975.db2.gz WKCRQZSCYPGRDI-LJQANCHMSA-N 1 1 499.626 2.953 20 0 JFADMO CCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295850150 1063873581 /nfs/dbraw/zinc/87/35/81/1063873581.db2.gz VAJQFYOFSLDXHU-CPJSRVTESA-N 1 1 492.665 2.730 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)C(C)C ZINC001295851134 1063875328 /nfs/dbraw/zinc/87/53/28/1063875328.db2.gz BPRZIQFZYCOAAC-JOCHJYFZSA-N 1 1 483.661 2.663 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C(C)C ZINC001295851652 1063876406 /nfs/dbraw/zinc/87/64/06/1063876406.db2.gz GHMXRJAETLFWGX-MRXNPFEDSA-N 1 1 450.525 2.535 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295852682 1063877840 /nfs/dbraw/zinc/87/78/40/1063877840.db2.gz KYQDABZSJREJGL-SFHVURJKSA-N 1 1 496.628 2.515 20 0 JFADMO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001295852850 1063877958 /nfs/dbraw/zinc/87/79/58/1063877958.db2.gz PZBIQJFXIKFGFK-DJJJIMSYSA-N 1 1 457.930 2.997 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1)C(C)C ZINC001295854094 1063882111 /nfs/dbraw/zinc/88/21/11/1063882111.db2.gz UYIPLLIKZIYPQT-MRXNPFEDSA-N 1 1 474.469 2.790 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295854613 1063883245 /nfs/dbraw/zinc/88/32/45/1063883245.db2.gz KNSHMBDDKPVRGC-OAQYLSRUSA-N 1 1 463.623 2.896 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291364568 1063883784 /nfs/dbraw/zinc/88/37/84/1063883784.db2.gz RSADTQFQBYZKCM-XMMPIXPASA-N 1 1 475.037 2.894 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291364568 1063883792 /nfs/dbraw/zinc/88/37/92/1063883792.db2.gz RSADTQFQBYZKCM-XMMPIXPASA-N 1 1 475.037 2.894 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)C(C)C ZINC001295857526 1063887709 /nfs/dbraw/zinc/88/77/09/1063887709.db2.gz SBWVTMRXFQAWFK-BZUAXINKSA-N 1 1 451.559 2.545 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)C1CC1 ZINC001295857913 1063888286 /nfs/dbraw/zinc/88/82/86/1063888286.db2.gz UQEWNHAAIYYBCZ-RXVVDRJESA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001295858503 1063889078 /nfs/dbraw/zinc/88/90/78/1063889078.db2.gz ZBXVAZBRVHCFMS-HYBUGGRVSA-N 1 1 475.659 2.663 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)CCC(F)(F)F ZINC001295858664 1063889155 /nfs/dbraw/zinc/88/91/55/1063889155.db2.gz BHIVOLBHKXYXIU-NRFANRHFSA-N 1 1 481.523 2.569 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCNC2=O)CC1)C(C)C ZINC001295859245 1063889689 /nfs/dbraw/zinc/88/96/89/1063889689.db2.gz JWRHESKWPPRKBX-UHFFFAOYSA-N 1 1 469.634 2.602 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)C(C)C ZINC001295859171 1063889725 /nfs/dbraw/zinc/88/97/25/1063889725.db2.gz IIFFXPMVSQNQKR-XMMPIXPASA-N 1 1 456.591 2.639 20 0 JFADMO CCN(CCn1c(Cc2ccccn2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859073 1063889776 /nfs/dbraw/zinc/88/97/76/1063889776.db2.gz HTUGUPQWJOSPAI-AREMUKBSSA-N 1 1 499.660 2.822 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291366549 1063890477 /nfs/dbraw/zinc/89/04/77/1063890477.db2.gz CELYVJPLZDADDB-SNYIIPAISA-N 1 1 452.607 2.754 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295859775 1063890704 /nfs/dbraw/zinc/89/07/04/1063890704.db2.gz WVGCFVRGDGMTAY-IBGZPJMESA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001295860491 1063891299 /nfs/dbraw/zinc/89/12/99/1063891299.db2.gz BOEIUVHPBVKJQN-HXUWFJFHSA-N 1 1 470.565 2.921 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295860687 1063892544 /nfs/dbraw/zinc/89/25/44/1063892544.db2.gz JLIXMWYVFSBVOO-UHFFFAOYSA-N 1 1 473.569 2.610 20 0 JFADMO CCN(CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295860680 1063892597 /nfs/dbraw/zinc/89/25/97/1063892597.db2.gz JIJYCANGQSWZMG-JOCHJYFZSA-N 1 1 499.660 2.679 20 0 JFADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295861378 1063893519 /nfs/dbraw/zinc/89/35/19/1063893519.db2.gz DRHAYKHOUOJNJA-UHFFFAOYSA-N 1 1 478.638 2.611 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C1CC1 ZINC001295861340 1063893557 /nfs/dbraw/zinc/89/35/57/1063893557.db2.gz VXFNWCNGUWUNQS-UHFFFAOYSA-N 1 1 474.679 2.748 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1)CCC(F)(F)F ZINC001295861689 1063893964 /nfs/dbraw/zinc/89/39/64/1063893964.db2.gz FZMIQUXMEARFRW-UHFFFAOYSA-N 1 1 481.567 2.942 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295862299 1063894655 /nfs/dbraw/zinc/89/46/55/1063894655.db2.gz LVTOHWWTURFOFN-QGZVFWFLSA-N 1 1 458.529 2.926 20 0 JFADMO CC[N@@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C1CC1 ZINC001295862692 1063895115 /nfs/dbraw/zinc/89/51/15/1063895115.db2.gz QPXSLOOFXIGTMX-IBGZPJMESA-N 1 1 470.618 2.833 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001295865125 1063896009 /nfs/dbraw/zinc/89/60/09/1063896009.db2.gz CIDWUFAGZXLXCJ-NRFANRHFSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295865254 1063896628 /nfs/dbraw/zinc/89/66/28/1063896628.db2.gz HKWTULBHDYSSBY-OAQYLSRUSA-N 1 1 463.648 2.828 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295865297 1063896666 /nfs/dbraw/zinc/89/66/66/1063896666.db2.gz IBFSPUWPRVLVMS-IBGZPJMESA-N 1 1 470.039 2.864 20 0 JFADMO CC[N@@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCC2(COC(=O)N2)CC1)C(C)C ZINC001295865549 1063897772 /nfs/dbraw/zinc/89/77/72/1063897772.db2.gz MNLYXFYMFXIAJY-UHFFFAOYSA-N 1 1 456.591 2.975 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C ZINC001295865600 1063898387 /nfs/dbraw/zinc/89/83/87/1063898387.db2.gz DLOSPGJIVZVVNE-UHFFFAOYSA-N 1 1 492.690 2.676 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001291372300 1063900152 /nfs/dbraw/zinc/90/01/52/1063900152.db2.gz YUCLULBHFHJQTM-RCZVLFRGSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC001295866320 1063900970 /nfs/dbraw/zinc/90/09/70/1063900970.db2.gz KBOODJPREUCGOW-OAQYLSRUSA-N 1 1 458.582 2.848 20 0 JFADMO CC[N@@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C)C1CC1 ZINC001295867816 1063903360 /nfs/dbraw/zinc/90/33/60/1063903360.db2.gz AAZHNIQRRMYBOY-QGZVFWFLSA-N 1 1 458.632 2.730 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(CC)C1)CCC(F)(F)F ZINC001295867788 1063903396 /nfs/dbraw/zinc/90/33/96/1063903396.db2.gz ZHGJMEBFFKMPAL-FQEVSTJZSA-N 1 1 460.545 2.680 20 0 JFADMO CC[N@@H+](CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868775 1063905708 /nfs/dbraw/zinc/90/57/08/1063905708.db2.gz XCEUXRKEEZCBEZ-RUZDIDTESA-N 1 1 488.633 2.604 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O)C(C)C ZINC001295868976 1063905775 /nfs/dbraw/zinc/90/57/75/1063905775.db2.gz DXNWOQKXCRTPAB-MSOLQXFVSA-N 1 1 465.643 2.781 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001295873342 1063910408 /nfs/dbraw/zinc/91/04/08/1063910408.db2.gz GGRNJUIJPUFBRA-LJQANCHMSA-N 1 1 463.648 2.945 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291378892 1063913262 /nfs/dbraw/zinc/91/32/62/1063913262.db2.gz OPRNELLTFTURPD-SQJMNOBHSA-N 1 1 457.619 2.793 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)C(C)C ZINC001295875567 1063913972 /nfs/dbraw/zinc/91/39/72/1063913972.db2.gz YNWUGYRBTLKZDC-KIVTUJJHSA-N 1 1 475.609 2.969 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291379382 1063914224 /nfs/dbraw/zinc/91/42/24/1063914224.db2.gz YPXFRTRIGMCXOT-XZOQPEGZSA-N 1 1 464.010 2.973 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001295881346 1063926694 /nfs/dbraw/zinc/92/66/94/1063926694.db2.gz NXEIPIVASOEVTL-NRFANRHFSA-N 1 1 474.606 2.961 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001295881935 1063928717 /nfs/dbraw/zinc/92/87/17/1063928717.db2.gz VLKXXGPLHXMNJF-KDURUIRLSA-N 1 1 462.664 2.887 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001295886989 1063934636 /nfs/dbraw/zinc/93/46/36/1063934636.db2.gz SZMZUIFQHQGNFM-SFHVURJKSA-N 1 1 477.034 2.852 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291388135 1063936439 /nfs/dbraw/zinc/93/64/39/1063936439.db2.gz UKAWIGXESGOKFL-MQKZXWNDSA-N 1 1 463.026 2.948 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001291390309 1063940876 /nfs/dbraw/zinc/94/08/76/1063940876.db2.gz WBGKNDJEXAQYBM-KCPSDCJVSA-N 1 1 468.646 2.731 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291397457 1063954190 /nfs/dbraw/zinc/95/41/90/1063954190.db2.gz KPYGRCXARNBYRE-VRUMLPLGSA-N 1 1 478.726 2.895 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291400503 1063960995 /nfs/dbraw/zinc/96/09/95/1063960995.db2.gz YHPZEECAHKCWAC-FNZWTVRRSA-N 1 1 483.661 2.861 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291400503 1063961006 /nfs/dbraw/zinc/96/10/06/1063961006.db2.gz YHPZEECAHKCWAC-FNZWTVRRSA-N 1 1 483.661 2.861 20 0 JFADMO CCn1cc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001295912627 1063965049 /nfs/dbraw/zinc/96/50/49/1063965049.db2.gz LFHWMBBWNPQIRS-UHFFFAOYSA-N 1 1 455.582 2.972 20 0 JFADMO CCn1cc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001295912627 1063965055 /nfs/dbraw/zinc/96/50/55/1063965055.db2.gz LFHWMBBWNPQIRS-UHFFFAOYSA-N 1 1 455.582 2.972 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291402659 1063965888 /nfs/dbraw/zinc/96/58/88/1063965888.db2.gz ALHPIEVNFGSSMX-STWLZBDKSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291402659 1063965899 /nfs/dbraw/zinc/96/58/99/1063965899.db2.gz ALHPIEVNFGSSMX-STWLZBDKSA-N 1 1 457.619 2.792 20 0 JFADMO CCn1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC001295915480 1063968183 /nfs/dbraw/zinc/96/81/83/1063968183.db2.gz OHZGYMBVPWPBPP-JOCHJYFZSA-N 1 1 464.618 2.971 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291403893 1063970421 /nfs/dbraw/zinc/97/04/21/1063970421.db2.gz QRDCHTSPAUMKDL-FDDCHVKYSA-N 1 1 460.648 2.581 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001291418129 1063996799 /nfs/dbraw/zinc/99/67/99/1063996799.db2.gz UFIUNJHMPKWEHE-BBTUJRGHSA-N 1 1 483.617 2.812 20 0 JFADMO CCn1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1=O ZINC001295944605 1063997929 /nfs/dbraw/zinc/99/79/29/1063997929.db2.gz YRVCAQPAKZYBDF-QFIPXVFZSA-N 1 1 456.635 2.959 20 0 JFADMO CCn1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1=O ZINC001295944602 1063997969 /nfs/dbraw/zinc/99/79/69/1063997969.db2.gz YRVCAQPAKZYBDF-JOCHJYFZSA-N 1 1 456.635 2.959 20 0 JFADMO CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1=O ZINC001295950842 1064002571 /nfs/dbraw/zinc/00/25/71/1064002571.db2.gz NOYXHJIRMQCYLS-JOCHJYFZSA-N 1 1 494.640 2.861 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C[C@@H]3CSCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001295951326 1064003006 /nfs/dbraw/zinc/00/30/06/1064003006.db2.gz IXOSHEHBIYFBHR-HXUWFJFHSA-N 1 1 454.681 2.746 20 0 JFADMO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC001295967584 1064014511 /nfs/dbraw/zinc/01/45/11/1064014511.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 1 1 452.580 2.945 20 0 JFADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC001295967584 1064014517 /nfs/dbraw/zinc/01/45/17/1064014517.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 1 1 452.580 2.945 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291434711 1064015551 /nfs/dbraw/zinc/01/55/51/1064015551.db2.gz RZPHXKNGNXTAIL-LEWJYISDSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291434711 1064015559 /nfs/dbraw/zinc/01/55/59/1064015559.db2.gz RZPHXKNGNXTAIL-LEWJYISDSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291434711 1064015568 /nfs/dbraw/zinc/01/55/68/1064015568.db2.gz RZPHXKNGNXTAIL-LEWJYISDSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291435258 1064015923 /nfs/dbraw/zinc/01/59/23/1064015923.db2.gz ZXVKRTZHCXXQLO-YADHBBJMSA-N 1 1 469.682 2.714 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435123 1064015944 /nfs/dbraw/zinc/01/59/44/1064015944.db2.gz YJVAJTZZUYZEHG-IFMALSPDSA-N 1 1 489.686 2.832 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435125 1064015960 /nfs/dbraw/zinc/01/59/60/1064015960.db2.gz YJVAJTZZUYZEHG-RBBKRZOGSA-N 1 1 489.686 2.832 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001295975147 1064018309 /nfs/dbraw/zinc/01/83/09/1064018309.db2.gz AMSYQGAKMGTKAR-ROUUACIJSA-N 1 1 490.052 2.695 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975145 1064018332 /nfs/dbraw/zinc/01/83/32/1064018332.db2.gz AMSYQGAKMGTKAR-QZTJIDSGSA-N 1 1 490.052 2.695 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001295975445 1064019148 /nfs/dbraw/zinc/01/91/48/1064019148.db2.gz DECLCTJGRNCCOW-ZJOUEHCJSA-N 1 1 488.658 2.807 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295975498 1064019734 /nfs/dbraw/zinc/01/97/34/1064019734.db2.gz DMXUNIVWVRJUBC-KGVIQGDOSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295975498 1064019738 /nfs/dbraw/zinc/01/97/38/1064019738.db2.gz DMXUNIVWVRJUBC-KGVIQGDOSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976066 1064021117 /nfs/dbraw/zinc/02/11/17/1064021117.db2.gz CFEHPRSQROAWOK-AABGKKOBSA-N 1 1 488.608 2.725 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001295976068 1064021147 /nfs/dbraw/zinc/02/11/47/1064021147.db2.gz CFEHPRSQROAWOK-SLFFLAALSA-N 1 1 488.608 2.725 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291455906 1064021755 /nfs/dbraw/zinc/02/17/55/1064021755.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 1 1 484.689 2.954 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295976613 1064022586 /nfs/dbraw/zinc/02/25/86/1064022586.db2.gz HPGSDZJQTCQCLQ-WOJBJXKFSA-N 1 1 493.612 2.918 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C[C@H]1C ZINC001295977434 1064023382 /nfs/dbraw/zinc/02/33/82/1064023382.db2.gz KPVVLVJNVVHYSE-LQWHRVPQSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C[C@H]1C ZINC001295977434 1064023389 /nfs/dbraw/zinc/02/33/89/1064023389.db2.gz KPVVLVJNVVHYSE-LQWHRVPQSA-N 1 1 459.614 2.777 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457307 1064023479 /nfs/dbraw/zinc/02/34/79/1064023479.db2.gz IWPROCPGDVXSSU-ISKFKSNPSA-N 1 1 470.662 2.851 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@H]1C ZINC001295977436 1064023534 /nfs/dbraw/zinc/02/35/34/1064023534.db2.gz KPVVLVJNVVHYSE-LVCYWYKZSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@H]1C ZINC001295977436 1064023539 /nfs/dbraw/zinc/02/35/39/1064023539.db2.gz KPVVLVJNVVHYSE-LVCYWYKZSA-N 1 1 459.614 2.777 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCn1cc(Br)cn1 ZINC001291457847 1064024344 /nfs/dbraw/zinc/02/43/44/1064024344.db2.gz UQAMVYCQDWUZHV-INIZCTEOSA-N 1 1 468.444 2.998 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCn1cc(Br)cn1 ZINC001291457847 1064024349 /nfs/dbraw/zinc/02/43/49/1064024349.db2.gz UQAMVYCQDWUZHV-INIZCTEOSA-N 1 1 468.444 2.998 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@]1(OC)CCOC1 ZINC001291458726 1064025311 /nfs/dbraw/zinc/02/53/11/1064025311.db2.gz MXCBVBXIZLWYHK-RRZZWSPOSA-N 1 1 459.639 2.850 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@]1(OC)CCOC1 ZINC001291458724 1064025348 /nfs/dbraw/zinc/02/53/48/1064025348.db2.gz MXCBVBXIZLWYHK-KLNOSBNDSA-N 1 1 459.639 2.850 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001295980062 1064028628 /nfs/dbraw/zinc/02/86/28/1064028628.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001295980062 1064028636 /nfs/dbraw/zinc/02/86/36/1064028636.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001295980062 1064028642 /nfs/dbraw/zinc/02/86/42/1064028642.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 1 476.427 2.634 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnccc1OC ZINC001291470124 1064030259 /nfs/dbraw/zinc/03/02/59/1064030259.db2.gz LTLORUPFHLBZCT-IPJJNNNSSA-N 1 1 469.634 2.622 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1COC ZINC001291470283 1064030660 /nfs/dbraw/zinc/03/06/60/1064030660.db2.gz NSAPNTDRDPKFLV-DCLXLUIPSA-N 1 1 468.646 2.975 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470310 1064031102 /nfs/dbraw/zinc/03/11/02/1064031102.db2.gz OETYNTBNONFPBI-JXHRLWIKSA-N 1 1 453.635 2.922 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981284 1064032123 /nfs/dbraw/zinc/03/21/23/1064032123.db2.gz RATJUFVLRIMZHR-MSQSPTIYSA-N 1 1 451.637 2.890 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@H]1C ZINC001295981803 1064033210 /nfs/dbraw/zinc/03/32/10/1064033210.db2.gz SAWTXMSGNFUEBT-AABGKKOBSA-N 1 1 478.663 2.503 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291473290 1064033920 /nfs/dbraw/zinc/03/39/20/1064033920.db2.gz CBHBLVXIQWEFEW-QNWVGRARSA-N 1 1 471.650 2.639 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001295982174 1064034149 /nfs/dbraw/zinc/03/41/49/1064034149.db2.gz WMHQQJPGWRUOBB-WOJBJXKFSA-N 1 1 470.618 2.608 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001295982248 1064034802 /nfs/dbraw/zinc/03/48/02/1064034802.db2.gz WWSWNOCXGBVQTF-WOGXIUBCSA-N 1 1 458.607 2.551 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@H]1C ZINC001295982472 1064035135 /nfs/dbraw/zinc/03/51/35/1064035135.db2.gz TUXCMZFNHMZBPW-FGTMMUONSA-N 1 1 466.627 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Sc2ccccc2)C[C@@H]1C ZINC001295982455 1064035182 /nfs/dbraw/zinc/03/51/82/1064035182.db2.gz SYHUPKTZWKTPAA-VJANTYMQSA-N 1 1 480.704 2.988 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479158 1064036023 /nfs/dbraw/zinc/03/60/23/1064036023.db2.gz FDWOLBLROCXRHU-XYJFISCASA-N 1 1 466.677 2.813 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001295982798 1064036693 /nfs/dbraw/zinc/03/66/93/1064036693.db2.gz YJLJMJAPULDHCT-FUHIMQAGSA-N 1 1 461.010 2.959 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001295983158 1064037969 /nfs/dbraw/zinc/03/79/69/1064037969.db2.gz YJSLAMHKDBWRAC-SJORKVTESA-N 1 1 482.555 2.729 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@H]1C ZINC001295983445 1064038109 /nfs/dbraw/zinc/03/81/09/1064038109.db2.gz WEZKMFRZUCDIRN-BUEREQSYSA-N 1 1 498.672 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001295983195 1064038462 /nfs/dbraw/zinc/03/84/62/1064038462.db2.gz YYBBHUFDDCQGOQ-OALUTQOASA-N 1 1 467.618 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@@H]1C ZINC001295983215 1064038483 /nfs/dbraw/zinc/03/84/83/1064038483.db2.gz ZKCQJYMJTCOSAX-IPJJNNNSSA-N 1 1 497.644 2.501 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295984430 1064041752 /nfs/dbraw/zinc/04/17/52/1064041752.db2.gz MRONBGSVJFPIOP-HOTGVXAUSA-N 1 1 457.529 2.794 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291484779 1064041938 /nfs/dbraw/zinc/04/19/38/1064041938.db2.gz FBCUVBVNKUNNKW-QYBDOPJKSA-N 1 1 486.636 2.839 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295984553 1064042418 /nfs/dbraw/zinc/04/24/18/1064042418.db2.gz ZUNHNORDWFWMRD-IKGGRYGDSA-N 1 1 485.054 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)C[C@H]1C ZINC001295984524 1064042456 /nfs/dbraw/zinc/04/24/56/1064042456.db2.gz ZEIFHNMETIPCJR-SAHWJRBASA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001295985488 1064042991 /nfs/dbraw/zinc/04/29/91/1064042991.db2.gz RGEYWRANCHTEJM-IAGOWNOFSA-N 1 1 469.055 2.847 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001295989545 1064044514 /nfs/dbraw/zinc/04/45/14/1064044514.db2.gz BNQMJPDCIGJTSF-MOPGFXCFSA-N 1 1 463.586 2.698 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001295990128 1064044838 /nfs/dbraw/zinc/04/48/38/1064044838.db2.gz FCQRYGDNFGQRPE-FGTMMUONSA-N 1 1 481.066 2.941 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489899 1064044930 /nfs/dbraw/zinc/04/49/30/1064044930.db2.gz LOXUGDKKRIASJF-FDDCHVKYSA-N 1 1 450.628 2.960 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489900 1064044970 /nfs/dbraw/zinc/04/49/70/1064044970.db2.gz LOXUGDKKRIASJF-JPYJTQIMSA-N 1 1 450.628 2.960 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001295990133 1064044874 /nfs/dbraw/zinc/04/48/74/1064044874.db2.gz FCQRYGDNFGQRPE-OKZBNKHCSA-N 1 1 481.066 2.941 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295991200 1064045873 /nfs/dbraw/zinc/04/58/73/1064045873.db2.gz AKKGORHZPLXMSJ-SJORKVTESA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291493877 1064046561 /nfs/dbraw/zinc/04/65/61/1064046561.db2.gz QPKXDUJAOZVUCV-AIYYMTJKSA-N 1 1 459.639 2.727 20 0 JFADMO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295992045 1064046883 /nfs/dbraw/zinc/04/68/83/1064046883.db2.gz GEQZXNIUCPMJDO-PWRODBHTSA-N 1 1 454.656 2.712 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291494181 1064046940 /nfs/dbraw/zinc/04/69/40/1064046940.db2.gz WIHAKAMUTWLEON-BTYIYWSLSA-N 1 1 487.571 2.880 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001295993822 1064049769 /nfs/dbraw/zinc/04/97/69/1064049769.db2.gz UIKOCKDYZUCZQS-CVEARBPZSA-N 1 1 459.396 2.918 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001295994449 1064050095 /nfs/dbraw/zinc/05/00/95/1064050095.db2.gz GOVPGYPKQJILGR-RTBURBONSA-N 1 1 462.664 2.764 20 0 JFADMO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295994667 1064050723 /nfs/dbraw/zinc/05/07/23/1064050723.db2.gz VURZKUFIVWVXCQ-UXHICEINSA-N 1 1 462.664 2.844 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@H]1C ZINC001295997505 1064053799 /nfs/dbraw/zinc/05/37/99/1064053799.db2.gz RGECSJGLUIRZSO-AABGKKOBSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001295997739 1064054048 /nfs/dbraw/zinc/05/40/48/1064054048.db2.gz RWGCZHBWZTZPIL-FVCZOJIISA-N 1 1 475.588 2.729 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295998185 1064054887 /nfs/dbraw/zinc/05/48/87/1064054887.db2.gz TWFFRMBVFIKFLU-MSOLQXFVSA-N 1 1 460.627 2.902 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001295999711 1064056474 /nfs/dbraw/zinc/05/64/74/1064056474.db2.gz XEVVWAFJUDHSFP-BFQNTYOBSA-N 1 1 454.472 2.753 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001296003206 1064057898 /nfs/dbraw/zinc/05/78/98/1064057898.db2.gz SBEYPDWICQOKDO-MSOLQXFVSA-N 1 1 454.550 2.836 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@@H]1C ZINC001296004252 1064059337 /nfs/dbraw/zinc/05/93/37/1064059337.db2.gz YDBZHHZIZFHPHK-LEWJYISDSA-N 1 1 461.614 2.921 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008901 1064063568 /nfs/dbraw/zinc/06/35/68/1064063568.db2.gz BWXFXPIODSSPDG-GJZGRUSLSA-N 1 1 470.952 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008964 1064063585 /nfs/dbraw/zinc/06/35/85/1064063585.db2.gz COPDJVWIPMDYLX-ZWKOTPCHSA-N 1 1 464.561 2.774 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001296009409 1064064454 /nfs/dbraw/zinc/06/44/54/1064064454.db2.gz GADOHKFVPISREY-FBROZUCGSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001296009660 1064065908 /nfs/dbraw/zinc/06/59/08/1064065908.db2.gz ICJXELNFSJVYDW-MOPGFXCFSA-N 1 1 467.622 2.780 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066408 /nfs/dbraw/zinc/06/64/08/1064066408.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 1 1 470.662 2.712 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296009733 1064066612 /nfs/dbraw/zinc/06/66/12/1064066612.db2.gz MNOKMCCRABWGHM-OALUTQOASA-N 1 1 488.683 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296009806 1064066978 /nfs/dbraw/zinc/06/69/78/1064066978.db2.gz IGSKEPOUGHRQFL-ZWKOTPCHSA-N 1 1 458.582 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296010162 1064067905 /nfs/dbraw/zinc/06/79/05/1064067905.db2.gz PKZCTSCCBMFJFG-UXHICEINSA-N 1 1 457.619 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296010165 1064068167 /nfs/dbraw/zinc/06/81/67/1064068167.db2.gz PKZCTSCCBMFJFG-VQTJNVASSA-N 1 1 457.619 2.532 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291517322 1064070451 /nfs/dbraw/zinc/07/04/51/1064070451.db2.gz SPZMTJXXUJNRDQ-CVDCTZTESA-N 1 1 499.660 2.690 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011355 1064071077 /nfs/dbraw/zinc/07/10/77/1064071077.db2.gz VEGDNXZMDUDKFP-RPWUZVMVSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011355 1064071086 /nfs/dbraw/zinc/07/10/86/1064071086.db2.gz VEGDNXZMDUDKFP-RPWUZVMVSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@H]1C ZINC001296011433 1064071240 /nfs/dbraw/zinc/07/12/40/1064071240.db2.gz OYDDXNGXFQBKCK-QZTJIDSGSA-N 1 1 453.616 2.826 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)C[C@H]1C ZINC001296011680 1064071685 /nfs/dbraw/zinc/07/16/85/1064071685.db2.gz QEZKSDQBFJJOFF-BHIFYINESA-N 1 1 459.639 2.502 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001296012574 1064073201 /nfs/dbraw/zinc/07/32/01/1064073201.db2.gz UAWAYJQVWWWMFD-RBUKOAKNSA-N 1 1 470.647 2.550 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001296013600 1064074628 /nfs/dbraw/zinc/07/46/28/1064074628.db2.gz WNFFRVOAFFQEFQ-SFTDATJTSA-N 1 1 482.633 2.527 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296014581 1064076301 /nfs/dbraw/zinc/07/63/01/1064076301.db2.gz YOBMUJTUVUBBCB-OALUTQOASA-N 1 1 471.581 2.806 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@H]1C ZINC001296014569 1064076416 /nfs/dbraw/zinc/07/64/16/1064076416.db2.gz YJZIIUGMRBWYJD-UXHICEINSA-N 1 1 470.618 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001296015225 1064077200 /nfs/dbraw/zinc/07/72/00/1064077200.db2.gz ZWFOXICTJOVXIO-SVFBPWRDSA-N 1 1 454.619 2.999 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017263 1064078821 /nfs/dbraw/zinc/07/88/21/1064078821.db2.gz XDNDXMMQPORKAC-RBUKOAKNSA-N 1 1 491.658 2.609 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079251 /nfs/dbraw/zinc/07/92/51/1064079251.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 1 1 486.661 2.895 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)Oc2ccccc21 ZINC001296019416 1064081056 /nfs/dbraw/zinc/08/10/56/1064081056.db2.gz XSKWJHOOWQCSQL-CLOONOSVSA-N 1 1 456.635 2.657 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291541490 1064084330 /nfs/dbraw/zinc/08/43/30/1064084330.db2.gz GKLPMDHHLXJIQX-NYVOZVTQSA-N 1 1 485.681 2.784 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291541491 1064084396 /nfs/dbraw/zinc/08/43/96/1064084396.db2.gz GKLPMDHHLXJIQX-VLCRHTCISA-N 1 1 485.681 2.784 20 0 JFADMO CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001296028205 1064087235 /nfs/dbraw/zinc/08/72/35/1064087235.db2.gz WDVZBPZLSQMKOL-LJQANCHMSA-N 1 1 475.707 2.913 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001296031027 1064088625 /nfs/dbraw/zinc/08/86/25/1064088625.db2.gz OYQZJWLFURJFEQ-SFHVURJKSA-N 1 1 470.593 2.997 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 ZINC001296031072 1064088666 /nfs/dbraw/zinc/08/86/66/1064088666.db2.gz PICZXRHEVCYZTK-PGRDOPGGSA-N 1 1 472.609 2.847 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001291550702 1064090028 /nfs/dbraw/zinc/09/00/28/1064090028.db2.gz VLUSZRRZNTYTQU-LPHOPBHVSA-N 1 1 457.604 2.742 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001291552863 1064090482 /nfs/dbraw/zinc/09/04/82/1064090482.db2.gz YVLQQUNUTFKFKP-HNNXBMFYSA-N 1 1 451.511 2.634 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554057 1064090810 /nfs/dbraw/zinc/09/08/10/1064090810.db2.gz IGVWUJIVSIJGNR-CJFMBICVSA-N 1 1 454.619 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554057 1064090817 /nfs/dbraw/zinc/09/08/17/1064090817.db2.gz IGVWUJIVSIJGNR-CJFMBICVSA-N 1 1 454.619 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554060 1064090935 /nfs/dbraw/zinc/09/09/35/1064090935.db2.gz IGVWUJIVSIJGNR-NLFFAJNJSA-N 1 1 454.619 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554060 1064090944 /nfs/dbraw/zinc/09/09/44/1064090944.db2.gz IGVWUJIVSIJGNR-NLFFAJNJSA-N 1 1 454.619 2.799 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296034638 1064093437 /nfs/dbraw/zinc/09/34/37/1064093437.db2.gz WJXWVUNGYWOMFL-OAQYLSRUSA-N 1 1 481.645 2.794 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296035375 1064094367 /nfs/dbraw/zinc/09/43/67/1064094367.db2.gz BTSZKJKIJDOYRE-VFNWGFHPSA-N 1 1 461.408 2.751 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCc1nnc(C)s1 ZINC001291568302 1064095488 /nfs/dbraw/zinc/09/54/88/1064095488.db2.gz MEIFDNLBHNMGDM-GOSISDBHSA-N 1 1 474.679 2.719 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCc1nnc(C)s1 ZINC001291568302 1064095497 /nfs/dbraw/zinc/09/54/97/1064095497.db2.gz MEIFDNLBHNMGDM-GOSISDBHSA-N 1 1 474.679 2.719 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001296036014 1064095438 /nfs/dbraw/zinc/09/54/38/1064095438.db2.gz GSMKBXQJZCTPKA-FPOVZHCZSA-N 1 1 473.618 2.934 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001296036759 1064096479 /nfs/dbraw/zinc/09/64/79/1064096479.db2.gz KSBBUDQUDHTNTD-INIZCTEOSA-N 1 1 485.029 2.551 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001296036760 1064096540 /nfs/dbraw/zinc/09/65/40/1064096540.db2.gz KSBBUDQUDHTNTD-MRXNPFEDSA-N 1 1 485.029 2.551 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291571124 1064097737 /nfs/dbraw/zinc/09/77/37/1064097737.db2.gz QCSGZNKSRANBSV-LJQANCHMSA-N 1 1 464.618 2.579 20 0 JFADMO CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296039266 1064099071 /nfs/dbraw/zinc/09/90/71/1064099071.db2.gz SALJFYGBLBJGQP-IRXDYDNUSA-N 1 1 452.024 2.954 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001291576646 1064099857 /nfs/dbraw/zinc/09/98/57/1064099857.db2.gz LRVLLFATMQCOLL-OTWHNJEPSA-N 1 1 466.623 2.548 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CCC2CC2)C1 ZINC001296040487 1064100308 /nfs/dbraw/zinc/10/03/08/1064100308.db2.gz VQWPRRZSTALHMF-IBGZPJMESA-N 1 1 460.648 2.774 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001296040813 1064100782 /nfs/dbraw/zinc/10/07/82/1064100782.db2.gz XAFGBBUXEFQXHT-SFHVURJKSA-N 1 1 471.631 2.548 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 ZINC001296041150 1064101352 /nfs/dbraw/zinc/10/13/52/1064101352.db2.gz YRGOSBCHSSSRHU-FUHWJXTLSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001296042841 1064102376 /nfs/dbraw/zinc/10/23/76/1064102376.db2.gz PBMKCONCVWOJNL-MSOLQXFVSA-N 1 1 451.575 2.760 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578188 1064102514 /nfs/dbraw/zinc/10/25/14/1064102514.db2.gz CHSWLAKSHHGKLQ-UTKZUKDTSA-N 1 1 458.582 2.730 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578184 1064102542 /nfs/dbraw/zinc/10/25/42/1064102542.db2.gz CHSWLAKSHHGKLQ-DYESRHJHSA-N 1 1 458.582 2.730 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296044264 1064103728 /nfs/dbraw/zinc/10/37/28/1064103728.db2.gz BQILQLFQXCNKDP-ZWKOTPCHSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001296044267 1064103807 /nfs/dbraw/zinc/10/38/07/1064103807.db2.gz BQLRJUGHMCDYLU-PZJWPPBQSA-N 1 1 485.633 2.960 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(COC)CC2)C1 ZINC001296044726 1064104527 /nfs/dbraw/zinc/10/45/27/1064104527.db2.gz FUNVBHUGESRMBX-NHCUHLMSSA-N 1 1 492.665 2.791 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296048308 1064107501 /nfs/dbraw/zinc/10/75/01/1064107501.db2.gz CBULFJRNNGPDLE-MOPGFXCFSA-N 1 1 472.659 2.951 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001296048665 1064108330 /nfs/dbraw/zinc/10/83/30/1064108330.db2.gz XZHAMSFDHXAYLW-HSALFYBXSA-N 1 1 462.639 2.817 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001296048993 1064109207 /nfs/dbraw/zinc/10/92/07/1064109207.db2.gz FRTUQWSRLCODBM-FQEVSTJZSA-N 1 1 468.646 2.914 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001296049060 1064109274 /nfs/dbraw/zinc/10/92/74/1064109274.db2.gz GLWCWMOILKSNSY-IBGZPJMESA-N 1 1 474.679 2.559 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001296050298 1064110053 /nfs/dbraw/zinc/11/00/53/1064110053.db2.gz PSLHKCLQYQGZTM-QGZVFWFLSA-N 1 1 469.531 2.628 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296050784 1064110880 /nfs/dbraw/zinc/11/08/80/1064110880.db2.gz VDVVWOOBUYXWAR-FUHWJXTLSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001296051696 1064112091 /nfs/dbraw/zinc/11/20/91/1064112091.db2.gz JDBPZLVYTGHAAY-SJORKVTESA-N 1 1 499.607 2.684 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296051690 1064112124 /nfs/dbraw/zinc/11/21/24/1064112124.db2.gz JBGBZZIVJZIHDC-LJQANCHMSA-N 1 1 458.582 2.643 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051942 1064113001 /nfs/dbraw/zinc/11/30/01/1064113001.db2.gz LMBYFSZSWAZKTB-TZIWHRDSSA-N 1 1 461.632 2.521 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582171 1064113199 /nfs/dbraw/zinc/11/31/99/1064113199.db2.gz UJSORJMHNGSZCD-QFBILLFUSA-N 1 1 459.664 2.850 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291582211 1064113590 /nfs/dbraw/zinc/11/35/90/1064113590.db2.gz ZMGNLDVDFJSFIW-NFBKMPQASA-N 1 1 468.646 2.711 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001296054414 1064115406 /nfs/dbraw/zinc/11/54/06/1064115406.db2.gz AVIVJUXCKKSDIU-CEMLEFRQSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(F)(F)F)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296054820 1064116426 /nfs/dbraw/zinc/11/64/26/1064116426.db2.gz DAYZEDXNBJUNSU-DXIQSLLYSA-N 1 1 488.599 2.733 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296055221 1064116740 /nfs/dbraw/zinc/11/67/40/1064116740.db2.gz FJHLQFRYVZTOCB-ROUUACIJSA-N 1 1 484.605 2.513 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001296057149 1064118544 /nfs/dbraw/zinc/11/85/44/1064118544.db2.gz SCJDVCJQDZIKFM-SFHVURJKSA-N 1 1 478.638 2.567 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001296057438 1064119529 /nfs/dbraw/zinc/11/95/29/1064119529.db2.gz YFXQOCKEKIQNBI-DFQSSKMNSA-N 1 1 467.680 2.552 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001296057401 1064119636 /nfs/dbraw/zinc/11/96/36/1064119636.db2.gz XNSUUPXBOIGHPP-HXUWFJFHSA-N 1 1 485.608 2.569 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 ZINC001296058528 1064120463 /nfs/dbraw/zinc/12/04/63/1064120463.db2.gz BUIUZNMGGWBTEF-RDJZCZTQSA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 ZINC001296058526 1064120486 /nfs/dbraw/zinc/12/04/86/1064120486.db2.gz BUIUZNMGGWBTEF-DOTOQJQBSA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2F)CC1 ZINC001296058743 1064120968 /nfs/dbraw/zinc/12/09/68/1064120968.db2.gz CYVIFRWTJSJHLY-VQTJNVASSA-N 1 1 460.598 2.952 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291590089 1064122976 /nfs/dbraw/zinc/12/29/76/1064122976.db2.gz OHLYDIYLYICSCU-OAQYLSRUSA-N 1 1 474.698 2.546 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291590089 1064122981 /nfs/dbraw/zinc/12/29/81/1064122981.db2.gz OHLYDIYLYICSCU-OAQYLSRUSA-N 1 1 474.698 2.546 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291590089 1064122985 /nfs/dbraw/zinc/12/29/85/1064122985.db2.gz OHLYDIYLYICSCU-OAQYLSRUSA-N 1 1 474.698 2.546 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291590460 1064123922 /nfs/dbraw/zinc/12/39/22/1064123922.db2.gz XEDHZCDLYAZQGM-PMACEKPBSA-N 1 1 491.681 2.791 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 ZINC001296060074 1064124264 /nfs/dbraw/zinc/12/42/64/1064124264.db2.gz LJECAAHNFYGNAM-RTBURBONSA-N 1 1 453.653 2.589 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296060278 1064124812 /nfs/dbraw/zinc/12/48/12/1064124812.db2.gz LNTJRDQZMVHPOY-PXNSSMCTSA-N 1 1 481.066 2.848 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291592815 1064127453 /nfs/dbraw/zinc/12/74/53/1064127453.db2.gz NEPMDCLAVFRADA-GBXCKJPGSA-N 1 1 494.706 2.914 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001296062789 1064128676 /nfs/dbraw/zinc/12/86/76/1064128676.db2.gz PKUVYNKIAJAWRL-LJQANCHMSA-N 1 1 456.595 2.524 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001296063092 1064129280 /nfs/dbraw/zinc/12/92/80/1064129280.db2.gz UMJSACGBZAWXHH-GOSISDBHSA-N 1 1 476.423 2.653 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001296063442 1064129287 /nfs/dbraw/zinc/12/92/87/1064129287.db2.gz WGBRLSMEOYVBHO-BJLQDIEVSA-N 1 1 494.637 2.512 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001296063445 1064129449 /nfs/dbraw/zinc/12/94/49/1064129449.db2.gz WGBRLSMEOYVBHO-CMKODMSKSA-N 1 1 494.637 2.512 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296063876 1064130482 /nfs/dbraw/zinc/13/04/82/1064130482.db2.gz YBXQMFZEGYDGAO-ROUUACIJSA-N 1 1 462.561 2.561 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296064184 1064130798 /nfs/dbraw/zinc/13/07/98/1064130798.db2.gz ZTTBMOPLYCOWHH-XUVXKRRUSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296066230 1064131196 /nfs/dbraw/zinc/13/11/96/1064131196.db2.gz BNCJCBJPNKNSLR-RTBURBONSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296066243 1064131250 /nfs/dbraw/zinc/13/12/50/1064131250.db2.gz BPPGKNDDCYTCAX-HKUYNNGSSA-N 1 1 477.654 2.577 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001296066532 1064131937 /nfs/dbraw/zinc/13/19/37/1064131937.db2.gz CXMNMFOPODYVET-IRXDYDNUSA-N 1 1 478.544 2.960 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001296067704 1064132872 /nfs/dbraw/zinc/13/28/72/1064132872.db2.gz KPFDVQOLCISJKL-WOJBJXKFSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001296068470 1064134856 /nfs/dbraw/zinc/13/48/56/1064134856.db2.gz PFZGWUWTTFSUME-WOJBJXKFSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296070683 1064135635 /nfs/dbraw/zinc/13/56/35/1064135635.db2.gz DBMWIJKONSEXLH-LJQANCHMSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296070682 1064135712 /nfs/dbraw/zinc/13/57/12/1064135712.db2.gz DBMWIJKONSEXLH-IBGZPJMESA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001296072088 1064135955 /nfs/dbraw/zinc/13/59/55/1064135955.db2.gz LLFFCXTUDHSCHK-HXUWFJFHSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296071625 1064136009 /nfs/dbraw/zinc/13/60/09/1064136009.db2.gz JOSJXKVAHVAZOS-IBGZPJMESA-N 1 1 451.541 2.823 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001296072287 1064136104 /nfs/dbraw/zinc/13/61/04/1064136104.db2.gz BQEVYXAVTFTLDL-IBGZPJMESA-N 1 1 491.434 2.772 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296072626 1064137146 /nfs/dbraw/zinc/13/71/46/1064137146.db2.gz DNBCTLMFJZSSAY-JTHBVZDNSA-N 1 1 489.686 2.960 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001296072851 1064137605 /nfs/dbraw/zinc/13/76/05/1064137605.db2.gz FXVWTPLMFLIOJU-RBUKOAKNSA-N 1 1 468.572 2.697 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001296072975 1064138016 /nfs/dbraw/zinc/13/80/16/1064138016.db2.gz HHEFSXQHYHPHCC-HKUYNNGSSA-N 1 1 460.554 2.757 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073551 1064138929 /nfs/dbraw/zinc/13/89/29/1064138929.db2.gz SBULZVBMZMLKDU-GOSISDBHSA-N 1 1 451.662 2.818 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073552 1064138978 /nfs/dbraw/zinc/13/89/78/1064138978.db2.gz SBULZVBMZMLKDU-SFHVURJKSA-N 1 1 451.662 2.818 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073647 1064139459 /nfs/dbraw/zinc/13/94/59/1064139459.db2.gz GGTDPGMWUJROHN-OALUTQOASA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073645 1064139511 /nfs/dbraw/zinc/13/95/11/1064139511.db2.gz GGTDPGMWUJROHN-MOPGFXCFSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001296073932 1064140015 /nfs/dbraw/zinc/14/00/15/1064140015.db2.gz IALHYXZYKWYBSI-HSZRJFAPSA-N 1 1 467.662 2.921 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001296073932 1064140020 /nfs/dbraw/zinc/14/00/20/1064140020.db2.gz IALHYXZYKWYBSI-HSZRJFAPSA-N 1 1 467.662 2.921 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001296073924 1064140046 /nfs/dbraw/zinc/14/00/46/1064140046.db2.gz LIGPTLCGOHSGHF-QZNUFANNSA-N 1 1 472.659 2.820 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296073935 1064140071 /nfs/dbraw/zinc/14/00/71/1064140071.db2.gz LKKDLZFMDHCMAJ-YADHBBJMSA-N 1 1 454.619 2.661 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 ZINC001296074560 1064140515 /nfs/dbraw/zinc/14/05/15/1064140515.db2.gz LNIDGIOCOUMUQI-AABGKKOBSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074569 1064140866 /nfs/dbraw/zinc/14/08/66/1064140866.db2.gz LNRRXRUBHZYQRT-MSOLQXFVSA-N 1 1 450.628 2.790 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074571 1064140964 /nfs/dbraw/zinc/14/09/64/1064140964.db2.gz LNRRXRUBHZYQRT-ROUUACIJSA-N 1 1 450.628 2.790 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C ZINC001296074780 1064141497 /nfs/dbraw/zinc/14/14/97/1064141497.db2.gz MKHNNTUFYLGUQY-HRTMPFAESA-N 1 1 473.710 2.877 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001296075139 1064141976 /nfs/dbraw/zinc/14/19/76/1064141976.db2.gz NKBGJJQYEIJRGT-IPJJNNNSSA-N 1 1 459.591 2.837 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001296075140 1064142130 /nfs/dbraw/zinc/14/21/30/1064142130.db2.gz NKBGJJQYEIJRGT-JQVVWYNYSA-N 1 1 459.591 2.837 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001291606508 1064142679 /nfs/dbraw/zinc/14/26/79/1064142679.db2.gz QPXKFQLIXSINPI-FPOVZHCZSA-N 1 1 468.650 2.877 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296076458 1064144957 /nfs/dbraw/zinc/14/49/57/1064144957.db2.gz XAKGJCWRWVGYBA-MXEMCNAFSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296076476 1064145009 /nfs/dbraw/zinc/14/50/09/1064145009.db2.gz XCESBIDIPNICQJ-RTWAWAEBSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078917 1064145494 /nfs/dbraw/zinc/14/54/94/1064145494.db2.gz AIXYRWTTYUNQGM-CTNGQTDRSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079371 1064146643 /nfs/dbraw/zinc/14/66/43/1064146643.db2.gz FRHFWFVCEKUBLJ-WOJBJXKFSA-N 1 1 480.654 2.934 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291609758 1064147437 /nfs/dbraw/zinc/14/74/37/1064147437.db2.gz VHCPEHCJAGKPCZ-MRXNPFEDSA-N 1 1 470.544 2.653 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001296081056 1064148190 /nfs/dbraw/zinc/14/81/90/1064148190.db2.gz PRBVOQWYGCADNA-YFVAEKQCSA-N 1 1 460.648 2.886 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296081453 1064149312 /nfs/dbraw/zinc/14/93/12/1064149312.db2.gz UJCQDKJPJBNQPA-VGOFRKELSA-N 1 1 492.466 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296082756 1064150276 /nfs/dbraw/zinc/15/02/76/1064150276.db2.gz AIBIIIFYEMFEOV-GOSISDBHSA-N 1 1 461.010 2.768 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001296083556 1064151316 /nfs/dbraw/zinc/15/13/16/1064151316.db2.gz GDQOTNUNEQPPIJ-NRFANRHFSA-N 1 1 497.669 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCOC ZINC001296084621 1064151720 /nfs/dbraw/zinc/15/17/20/1064151720.db2.gz NGOHTSTVMFTRRI-GOSISDBHSA-N 1 1 463.652 2.585 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084834 1064152830 /nfs/dbraw/zinc/15/28/30/1064152830.db2.gz AFUQGLKRWFWCTG-PMACEKPBSA-N 1 1 491.658 2.578 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001296086540 1064155061 /nfs/dbraw/zinc/15/50/61/1064155061.db2.gz ZFNLAOLMRPAAHX-FUHWJXTLSA-N 1 1 454.545 2.626 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 ZINC001296087352 1064156233 /nfs/dbraw/zinc/15/62/33/1064156233.db2.gz FNRVLDIDAONKCI-IBGZPJMESA-N 1 1 458.588 2.847 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 ZINC001296087740 1064157293 /nfs/dbraw/zinc/15/72/93/1064157293.db2.gz HJUYPYIUYSANFR-LJQANCHMSA-N 1 1 478.688 2.623 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087943 1064157338 /nfs/dbraw/zinc/15/73/38/1064157338.db2.gz PFHADAVJFORATC-VQTJNVASSA-N 1 1 478.638 2.688 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001296089315 1064160151 /nfs/dbraw/zinc/16/01/51/1064160151.db2.gz OBJUNIGOYIXTFE-MZNJEOGPSA-N 1 1 456.591 2.538 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296089362 1064160493 /nfs/dbraw/zinc/16/04/93/1064160493.db2.gz PDCBNSSLRJUCQU-NQIIRXRSSA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296091782 1064163067 /nfs/dbraw/zinc/16/30/67/1064163067.db2.gz BVGNLCYEDIGNMG-SFTDATJTSA-N 1 1 454.619 2.648 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622324 1064163237 /nfs/dbraw/zinc/16/32/37/1064163237.db2.gz VKKRWRFPFRJACY-ROUUACIJSA-N 1 1 455.607 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296092237 1064164551 /nfs/dbraw/zinc/16/45/51/1064164551.db2.gz HNJCZCNLOLVLFB-HSZRJFAPSA-N 1 1 486.636 2.861 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001296092199 1064164561 /nfs/dbraw/zinc/16/45/61/1064164561.db2.gz GSIQXWOTUCJJGP-VXKWHMMOSA-N 1 1 453.635 2.879 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001296094002 1064165942 /nfs/dbraw/zinc/16/59/42/1064165942.db2.gz SXUWWSBDFXIFKU-LJQANCHMSA-N 1 1 451.541 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001296095319 1064168327 /nfs/dbraw/zinc/16/83/27/1064168327.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 1 1 472.682 2.561 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095376 1064168391 /nfs/dbraw/zinc/16/83/91/1064168391.db2.gz IMAWYVAWZARIFN-AZUAARDMSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001296095627 1064168600 /nfs/dbraw/zinc/16/86/00/1064168600.db2.gz JFCPSYVDSRRYDI-OAQYLSRUSA-N 1 1 470.666 2.830 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296096027 1064169294 /nfs/dbraw/zinc/16/92/94/1064169294.db2.gz KYXACOWEQIGYFY-NTKDMRAZSA-N 1 1 458.582 2.833 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001296096140 1064169659 /nfs/dbraw/zinc/16/96/59/1064169659.db2.gz MFSYILTUTPXKEV-JOCHJYFZSA-N 1 1 468.646 2.639 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296097398 1064170706 /nfs/dbraw/zinc/17/07/06/1064170706.db2.gz QGWBDCHYIZNQTF-YUXAGFNASA-N 1 1 459.591 2.590 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097892 1064171282 /nfs/dbraw/zinc/17/12/82/1064171282.db2.gz TXVBKGHJGIZTIN-RBUKOAKNSA-N 1 1 474.610 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296098491 1064171746 /nfs/dbraw/zinc/17/17/46/1064171746.db2.gz XYISPDSOKIPFCE-OAQYLSRUSA-N 1 1 470.666 2.709 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001296098408 1064171829 /nfs/dbraw/zinc/17/18/29/1064171829.db2.gz XMSUICQQFMISNA-HXUWFJFHSA-N 1 1 491.036 2.680 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291628817 1064172078 /nfs/dbraw/zinc/17/20/78/1064172078.db2.gz PKJUMMOLPPGCEU-BXXSPATCSA-N 1 1 473.710 2.902 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291632707 1064182198 /nfs/dbraw/zinc/18/21/98/1064182198.db2.gz OYBQFTKPVDXGPT-QHCPKHFHSA-N 1 1 481.689 2.914 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001291633185 1064182770 /nfs/dbraw/zinc/18/27/70/1064182770.db2.gz RELLRZAKOAMYAS-MYDTUXCISA-N 1 1 473.710 2.950 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291633491 1064183735 /nfs/dbraw/zinc/18/37/35/1064183735.db2.gz XCZHBBIWXHTDNI-NRFANRHFSA-N 1 1 468.646 2.977 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291639038 1064186853 /nfs/dbraw/zinc/18/68/53/1064186853.db2.gz OVGAZYWHTOASTP-CTNGQTDRSA-N 1 1 488.706 2.513 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639561 1064187541 /nfs/dbraw/zinc/18/75/41/1064187541.db2.gz NLSJTUFCMBPNKG-UGKGYDQZSA-N 1 1 459.614 2.605 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001291640266 1064189407 /nfs/dbraw/zinc/18/94/07/1064189407.db2.gz QVFANMJFNDOIGH-CWBXHPNXSA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641957 1064191759 /nfs/dbraw/zinc/19/17/59/1064191759.db2.gz GYYWALHHGGQKEJ-NJYVYQBISA-N 1 1 471.650 2.809 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642594 1064192401 /nfs/dbraw/zinc/19/24/01/1064192401.db2.gz LPUHSATYTUDIJA-VXKWHMMOSA-N 1 1 484.693 2.534 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCc3nnc(C)s3)CC2)CC1 ZINC001296118435 1064200586 /nfs/dbraw/zinc/20/05/86/1064200586.db2.gz AULCCILOWJYBRL-UHFFFAOYSA-N 1 1 488.706 2.749 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCOC)CC2)CC1 ZINC001296118629 1064201411 /nfs/dbraw/zinc/20/14/11/1064201411.db2.gz FYLBYPYTEHCQCQ-FYYLOGMGSA-N 1 1 490.693 2.614 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CC3([S@](C)=O)CCC3)CC2)CC1 ZINC001296118642 1064201510 /nfs/dbraw/zinc/20/15/10/1064201510.db2.gz GGFHPEIRZSOZDU-UMSFTDKQSA-N 1 1 492.734 2.647 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648104 1064202469 /nfs/dbraw/zinc/20/24/69/1064202469.db2.gz GFXVPSFKLQBCHQ-RDJZCZTQSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648104 1064202478 /nfs/dbraw/zinc/20/24/78/1064202478.db2.gz GFXVPSFKLQBCHQ-RDJZCZTQSA-N 1 1 454.497 2.697 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119327 1064204214 /nfs/dbraw/zinc/20/42/14/1064204214.db2.gz RLHWLZKIWCUMSF-UHFFFAOYSA-N 1 1 461.699 2.587 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001296119464 1064204746 /nfs/dbraw/zinc/20/47/46/1064204746.db2.gz DTXNRTHMIGPUOK-HSZRJFAPSA-N 1 1 484.645 2.581 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296120338 1064209498 /nfs/dbraw/zinc/20/94/98/1064209498.db2.gz HNYITWJQNJBMIR-VIZSFHNOSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121056 1064211747 /nfs/dbraw/zinc/21/17/47/1064211747.db2.gz MQLTZCTZLLDUFV-GOSISDBHSA-N 1 1 474.053 2.716 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122262 1064214215 /nfs/dbraw/zinc/21/42/15/1064214215.db2.gz UXXYOSXIORRAMS-PMACEKPBSA-N 1 1 463.671 2.873 20 0 JFADMO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001296122476 1064215110 /nfs/dbraw/zinc/21/51/10/1064215110.db2.gz WKWNVVMRFXTWFS-NRFANRHFSA-N 1 1 454.667 2.750 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122630 1064215338 /nfs/dbraw/zinc/21/53/38/1064215338.db2.gz YUQXMIZEXVAHIZ-VQTJNVASSA-N 1 1 463.671 2.873 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122593 1064215361 /nfs/dbraw/zinc/21/53/61/1064215361.db2.gz YHAJCRUMYALTCD-OAQYLSRUSA-N 1 1 470.662 2.969 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122600 1064215436 /nfs/dbraw/zinc/21/54/36/1064215436.db2.gz YKHDTFYQEAKWAH-NRFANRHFSA-N 1 1 459.683 2.656 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124341 1064217112 /nfs/dbraw/zinc/21/71/12/1064217112.db2.gz GXUIYTIBGPDURG-MOPGFXCFSA-N 1 1 474.675 2.930 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001296124881 1064217939 /nfs/dbraw/zinc/21/79/39/1064217939.db2.gz KFENFFLPIPZVHN-YPAWHYETSA-N 1 1 456.635 2.520 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291687934 1064218033 /nfs/dbraw/zinc/21/80/33/1064218033.db2.gz KJBAYRABDVQVIP-RAZUEPIFSA-N 1 1 462.639 2.694 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125565 1064219310 /nfs/dbraw/zinc/21/93/10/1064219310.db2.gz MTZRCSHKVUREES-GOSISDBHSA-N 1 1 453.591 2.913 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126024 1064219631 /nfs/dbraw/zinc/21/96/31/1064219631.db2.gz OQXWXVGXPSJGIJ-ROUUACIJSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296126075 1064220067 /nfs/dbraw/zinc/22/00/67/1064220067.db2.gz PESCVULLQVOMRF-SFTDATJTSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127632 1064221914 /nfs/dbraw/zinc/22/19/14/1064221914.db2.gz VWXDPZGDNVRTED-FQEVSTJZSA-N 1 1 479.595 2.964 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128047 1064222342 /nfs/dbraw/zinc/22/23/42/1064222342.db2.gz XJDOERKBFNNASU-SFTDATJTSA-N 1 1 498.676 2.812 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129608 1064222803 /nfs/dbraw/zinc/22/28/03/1064222803.db2.gz AYJPWFCPULZGOJ-FGZHOGPDSA-N 1 1 456.635 2.632 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130056 1064223612 /nfs/dbraw/zinc/22/36/12/1064223612.db2.gz BDGHESDDPJNPLB-SFHVURJKSA-N 1 1 454.648 2.691 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130807 1064224585 /nfs/dbraw/zinc/22/45/85/1064224585.db2.gz GMCLSZAXOGXBMS-IBGZPJMESA-N 1 1 455.582 2.954 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131188 1064224950 /nfs/dbraw/zinc/22/49/50/1064224950.db2.gz HZBKQZPBYQEOET-RTBURBONSA-N 1 1 488.633 2.602 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131252 1064225393 /nfs/dbraw/zinc/22/53/93/1064225393.db2.gz IHONUPRVWOBUHE-QGZVFWFLSA-N 1 1 474.704 2.795 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131631 1064226452 /nfs/dbraw/zinc/22/64/52/1064226452.db2.gz MKJMAQXOJYTRED-JOCHJYFZSA-N 1 1 483.709 2.626 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131559 1064226567 /nfs/dbraw/zinc/22/65/67/1064226567.db2.gz LRZAFTBSIQVVAD-IBGZPJMESA-N 1 1 458.655 2.752 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001296131986 1064227983 /nfs/dbraw/zinc/22/79/83/1064227983.db2.gz PHLRCKKXEUUTSK-QHCPKHFHSA-N 1 1 495.716 2.784 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132214 1064228784 /nfs/dbraw/zinc/22/87/84/1064228784.db2.gz PSAWOOKZAUQXGK-FDDCHVKYSA-N 1 1 495.594 2.896 20 0 JFADMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)cc1 ZINC001291723048 1064229063 /nfs/dbraw/zinc/22/90/63/1064229063.db2.gz UWRITBMXPWZNSJ-QHCPKHFHSA-N 1 1 456.612 2.532 20 0 JFADMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)cc1 ZINC001291723048 1064229072 /nfs/dbraw/zinc/22/90/72/1064229072.db2.gz UWRITBMXPWZNSJ-QHCPKHFHSA-N 1 1 456.612 2.532 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291732296 1064230698 /nfs/dbraw/zinc/23/06/98/1064230698.db2.gz IRYAUOMTYBLUFD-IUKKYPGJSA-N 1 1 450.628 2.899 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132698 1064231564 /nfs/dbraw/zinc/23/15/64/1064231564.db2.gz VBUMWXPWASBIQY-RNHFSVANSA-N 1 1 475.682 2.606 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132786 1064231637 /nfs/dbraw/zinc/23/16/37/1064231637.db2.gz RTODUPXOLJHQKH-JXFKEZNVSA-N 1 1 478.016 2.684 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134252 1064235277 /nfs/dbraw/zinc/23/52/77/1064235277.db2.gz XMYLWBHHCBIKOJ-KRWDZBQOSA-N 1 1 475.579 2.594 20 0 JFADMO CC[C@H](C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291754470 1064236599 /nfs/dbraw/zinc/23/65/99/1064236599.db2.gz QYJWAKDRTOCMLC-ZCNNSNEGSA-N 1 1 484.711 2.604 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135133 1064238461 /nfs/dbraw/zinc/23/84/61/1064238461.db2.gz WMBLJYMYDCCQCH-NQIIRXRSSA-N 1 1 457.671 2.651 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296135266 1064239252 /nfs/dbraw/zinc/23/92/52/1064239252.db2.gz XRVRAJIAARUNKW-GUDVDZBRSA-N 1 1 491.731 2.626 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291759730 1064240103 /nfs/dbraw/zinc/24/01/03/1064240103.db2.gz HVPCFYCQCTXDJD-MSOLQXFVSA-N 1 1 450.591 2.732 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291760040 1064241371 /nfs/dbraw/zinc/24/13/71/1064241371.db2.gz NANNMFQDDTYZIG-BZSNNMDCSA-N 1 1 460.554 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291760041 1064241454 /nfs/dbraw/zinc/24/14/54/1064241454.db2.gz NANNMFQDDTYZIG-KSZLIROESA-N 1 1 460.554 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001291760062 1064241819 /nfs/dbraw/zinc/24/18/19/1064241819.db2.gz NIMFDYXAFJJPJT-RBUKOAKNSA-N 1 1 463.671 2.525 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001291760158 1064241843 /nfs/dbraw/zinc/24/18/43/1064241843.db2.gz KBFKQXXGEKAEKH-RXVVDRJESA-N 1 1 492.690 2.787 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001291760063 1064241871 /nfs/dbraw/zinc/24/18/71/1064241871.db2.gz NIMFDYXAFJJPJT-RTBURBONSA-N 1 1 463.671 2.525 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241922 /nfs/dbraw/zinc/24/19/22/1064241922.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 1 1 467.662 2.511 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241930 /nfs/dbraw/zinc/24/19/30/1064241930.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 1 1 467.662 2.511 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001291760867 1064242225 /nfs/dbraw/zinc/24/22/25/1064242225.db2.gz OGZCCOBQANBVND-LVCYWYKZSA-N 1 1 463.648 2.940 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H]1C ZINC001296136717 1064242243 /nfs/dbraw/zinc/24/22/43/1064242243.db2.gz KJWNYYIWYNVQKZ-UZUQRXQVSA-N 1 1 461.010 2.606 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291763096 1064243655 /nfs/dbraw/zinc/24/36/55/1064243655.db2.gz VXIPUOILHFXKKP-JXALWOEJSA-N 1 1 486.661 2.850 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296137494 1064243884 /nfs/dbraw/zinc/24/38/84/1064243884.db2.gz PNIPVQXLFBRZLA-KRWDZBQOSA-N 1 1 473.588 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296138879 1064245552 /nfs/dbraw/zinc/24/55/52/1064245552.db2.gz YJSKNPWVUOKRSG-RTBURBONSA-N 1 1 477.654 2.548 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296138876 1064245691 /nfs/dbraw/zinc/24/56/91/1064245691.db2.gz YJSKNPWVUOKRSG-MOPGFXCFSA-N 1 1 477.654 2.548 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001291765272 1064245779 /nfs/dbraw/zinc/24/57/79/1064245779.db2.gz JXYLZFCJQCOMIJ-LJQANCHMSA-N 1 1 487.649 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001296140987 1064246733 /nfs/dbraw/zinc/24/67/33/1064246733.db2.gz AYPABOKSOKCSLH-GHTZIAJQSA-N 1 1 476.588 2.733 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001291765574 1064246803 /nfs/dbraw/zinc/24/68/03/1064246803.db2.gz NAGDMFAHOBMKJO-OXQOHEQNSA-N 1 1 455.563 2.953 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001291765570 1064246945 /nfs/dbraw/zinc/24/69/45/1064246945.db2.gz NAGDMFAHOBMKJO-JXFKEZNVSA-N 1 1 455.563 2.953 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCCO)C[C@@H]1C ZINC001296141249 1064247153 /nfs/dbraw/zinc/24/71/53/1064247153.db2.gz COMUMRZVEAZNQX-SFHVURJKSA-N 1 1 477.679 2.630 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 ZINC001291765965 1064247279 /nfs/dbraw/zinc/24/72/79/1064247279.db2.gz SCTQFGOKVWHSNI-GOSISDBHSA-N 1 1 453.595 2.514 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291765882 1064247344 /nfs/dbraw/zinc/24/73/44/1064247344.db2.gz QZAZVPLUGDOZAH-RTBURBONSA-N 1 1 462.042 2.882 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](OC)C2CC2)C[C@H]1C ZINC001296142183 1064249147 /nfs/dbraw/zinc/24/91/47/1064249147.db2.gz KIKGBFIRAZPDGJ-IIBYNOLFSA-N 1 1 459.591 2.926 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296142402 1064249513 /nfs/dbraw/zinc/24/95/13/1064249513.db2.gz KQQUQPLRUGGSAW-MRXNPFEDSA-N 1 1 457.529 2.713 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767890 1064249842 /nfs/dbraw/zinc/24/98/42/1064249842.db2.gz OWSAJQKNDUVKPV-LEWJYISDSA-N 1 1 467.662 2.773 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)NC)CC1 ZINC001291768254 1064250257 /nfs/dbraw/zinc/25/02/57/1064250257.db2.gz UCJRRRHBXURLQE-GOSISDBHSA-N 1 1 450.591 2.685 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CCOC)CC1 ZINC001291767896 1064250330 /nfs/dbraw/zinc/25/03/30/1064250330.db2.gz OYFZUBUNXOZPCM-HXUWFJFHSA-N 1 1 451.619 2.992 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCCCO)C[C@@H]1C ZINC001296143133 1064250525 /nfs/dbraw/zinc/25/05/25/1064250525.db2.gz GBBHYLVMLQQYPG-IBGZPJMESA-N 1 1 460.648 2.793 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001296143020 1064251488 /nfs/dbraw/zinc/25/14/88/1064251488.db2.gz OISCEYORJXZUSP-YSZBQJHXSA-N 1 1 463.648 2.818 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)c2cccs2)C[C@@H]1C ZINC001296143018 1064251520 /nfs/dbraw/zinc/25/15/20/1064251520.db2.gz OISCEYORJXZUSP-NMNUPHIUSA-N 1 1 463.648 2.818 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001296143019 1064251582 /nfs/dbraw/zinc/25/15/82/1064251582.db2.gz OISCEYORJXZUSP-TZYHBYERSA-N 1 1 463.648 2.818 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291770951 1064252193 /nfs/dbraw/zinc/25/21/93/1064252193.db2.gz AXHMQFMLXURRJT-NQIIRXRSSA-N 1 1 494.644 2.681 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296143386 1064252374 /nfs/dbraw/zinc/25/23/74/1064252374.db2.gz PSNUFOJDCBXGMB-IEBWSBKVSA-N 1 1 477.679 2.748 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001296143846 1064252942 /nfs/dbraw/zinc/25/29/42/1064252942.db2.gz SAPWJYXGOBVLBK-QGZVFWFLSA-N 1 1 482.585 2.953 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001296143436 1064252984 /nfs/dbraw/zinc/25/29/84/1064252984.db2.gz QEZKRNBALHJVPF-KOSHJBKYSA-N 1 1 453.591 2.653 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253105 /nfs/dbraw/zinc/25/31/05/1064253105.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 1 1 482.471 2.545 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253110 /nfs/dbraw/zinc/25/31/10/1064253110.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 1 1 482.471 2.545 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001291771319 1064253436 /nfs/dbraw/zinc/25/34/36/1064253436.db2.gz IEYDBIFMQRLSGZ-NRFANRHFSA-N 1 1 463.630 2.905 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001296144545 1064253936 /nfs/dbraw/zinc/25/39/36/1064253936.db2.gz AERKMJPDFHBDIR-HXOBKFHXSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001296145163 1064255556 /nfs/dbraw/zinc/25/55/56/1064255556.db2.gz XEMDRRDJEPBSHQ-QGZVFWFLSA-N 1 1 469.590 2.706 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](OC)C1 ZINC001291772490 1064256210 /nfs/dbraw/zinc/25/62/10/1064256210.db2.gz PCLFLZANVZATGV-ZWKOTPCHSA-N 1 1 453.591 2.538 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296145885 1064256419 /nfs/dbraw/zinc/25/64/19/1064256419.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 1 1 477.451 2.613 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296145885 1064256428 /nfs/dbraw/zinc/25/64/28/1064256428.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 1 1 477.451 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H]2CCCCO2)C[C@H]1C ZINC001296146259 1064256816 /nfs/dbraw/zinc/25/68/16/1064256816.db2.gz JQGJIMWZTSUPGJ-UYAOXDASSA-N 1 1 461.632 2.838 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001296146650 1064257226 /nfs/dbraw/zinc/25/72/26/1064257226.db2.gz LFKGTYJHCZYNLK-GOSISDBHSA-N 1 1 464.618 2.926 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257880 /nfs/dbraw/zinc/25/78/80/1064257880.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257888 /nfs/dbraw/zinc/25/78/88/1064257888.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296147172 1064257987 /nfs/dbraw/zinc/25/79/87/1064257987.db2.gz QZFPRMSCJJEOSZ-IBGZPJMESA-N 1 1 488.658 2.502 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773415 1064258452 /nfs/dbraw/zinc/25/84/52/1064258452.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 1 1 488.702 2.623 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001296148324 1064259857 /nfs/dbraw/zinc/25/98/57/1064259857.db2.gz VTRCKDVDQBXHEN-CBQOVEMMSA-N 1 1 490.674 2.541 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001291773744 1064260283 /nfs/dbraw/zinc/26/02/83/1064260283.db2.gz VXCARMRAEYWIOP-WPSZSDGUSA-N 1 1 475.037 2.797 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296148575 1064260748 /nfs/dbraw/zinc/26/07/48/1064260748.db2.gz YIESKWZVRBVXCT-CQSZACIVSA-N 1 1 470.437 2.841 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001291774122 1064262252 /nfs/dbraw/zinc/26/22/52/1064262252.db2.gz LSCYSKZVRGUGBN-WZONZLPQSA-N 1 1 470.618 2.968 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001291774439 1064262536 /nfs/dbraw/zinc/26/25/36/1064262536.db2.gz NFTSATCEHWATDV-RBBKRZOGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001296151325 1064262926 /nfs/dbraw/zinc/26/29/26/1064262926.db2.gz XXLXOKDODZCPNN-HNNXBMFYSA-N 1 1 454.966 2.926 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001296153607 1064263323 /nfs/dbraw/zinc/26/33/23/1064263323.db2.gz BUQURVONPNAUCP-OAHLLOKOSA-N 1 1 461.496 2.791 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](COC)OC)C[C@H]1C ZINC001296153456 1064263409 /nfs/dbraw/zinc/26/34/09/1064263409.db2.gz BJDIAQWPYOQHKO-HZPDHXFCSA-N 1 1 452.397 2.899 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296154083 1064263947 /nfs/dbraw/zinc/26/39/47/1064263947.db2.gz BCVANBAWIFEQIY-RTBURBONSA-N 1 1 453.591 2.933 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775336 1064264050 /nfs/dbraw/zinc/26/40/50/1064264050.db2.gz WIFFHQFKDKQGBO-MSOLQXFVSA-N 1 1 451.612 2.994 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775341 1064264440 /nfs/dbraw/zinc/26/44/40/1064264440.db2.gz WIFFHQFKDKQGBO-ZWKOTPCHSA-N 1 1 451.612 2.994 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001291777038 1064265295 /nfs/dbraw/zinc/26/52/95/1064265295.db2.gz BCUTZQMRJYGDIX-SIKLNZKXSA-N 1 1 453.635 2.948 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291779697 1064267800 /nfs/dbraw/zinc/26/78/00/1064267800.db2.gz RXLWINYRKDUOLE-ZCNNSNEGSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001296155853 1064268047 /nfs/dbraw/zinc/26/80/47/1064268047.db2.gz SDXZHUQRWNKUFE-UKRRQHHQSA-N 1 1 467.437 2.826 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001291780975 1064268502 /nfs/dbraw/zinc/26/85/02/1064268502.db2.gz CEQNQERZFHOVQD-NHCUHLMSSA-N 1 1 480.661 2.988 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269150 /nfs/dbraw/zinc/26/91/50/1064269150.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269161 /nfs/dbraw/zinc/26/91/61/1064269161.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 1 1 491.681 2.601 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291782272 1064270175 /nfs/dbraw/zinc/27/01/75/1064270175.db2.gz CFNZUAVZRATJKV-NRFANRHFSA-N 1 1 492.672 2.894 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291782290 1064270556 /nfs/dbraw/zinc/27/05/56/1064270556.db2.gz CKIPCUPATMQJRM-QFBILLFUSA-N 1 1 470.039 2.864 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CC(C)(C)COC)c2ccccc2c1=O ZINC001296157536 1064270607 /nfs/dbraw/zinc/27/06/07/1064270607.db2.gz YYKXPHZHLMZEGH-GOSISDBHSA-N 1 1 467.618 2.878 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291782520 1064271636 /nfs/dbraw/zinc/27/16/36/1064271636.db2.gz PTWSHVNSIOEIBS-BHIFYINESA-N 1 1 473.710 2.587 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291782546 1064272408 /nfs/dbraw/zinc/27/24/08/1064272408.db2.gz FEUREZIXDDRQSL-UXHICEINSA-N 1 1 491.681 2.967 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001291782590 1064272868 /nfs/dbraw/zinc/27/28/68/1064272868.db2.gz FLGUBMXSHIILSR-UZUQRXQVSA-N 1 1 461.010 2.957 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 ZINC001291782838 1064274089 /nfs/dbraw/zinc/27/40/89/1064274089.db2.gz HKWNTTHCNDZWSR-KRWDZBQOSA-N 1 1 454.579 2.516 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001291783013 1064274531 /nfs/dbraw/zinc/27/45/31/1064274531.db2.gz WYNNCBSBTFMUII-LJQANCHMSA-N 1 1 466.634 2.921 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291782955 1064274615 /nfs/dbraw/zinc/27/46/15/1064274615.db2.gz WAZSPZDXYFILIB-FIXSFTCYSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296163050 1064276038 /nfs/dbraw/zinc/27/60/38/1064276038.db2.gz VWTGVWMUFZBWAR-MOPGFXCFSA-N 1 1 450.628 2.960 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001296162778 1064276157 /nfs/dbraw/zinc/27/61/57/1064276157.db2.gz PJUOYTLLVHQANI-NRFANRHFSA-N 1 1 456.635 2.520 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001296162778 1064276165 /nfs/dbraw/zinc/27/61/65/1064276165.db2.gz PJUOYTLLVHQANI-NRFANRHFSA-N 1 1 456.635 2.520 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001291783449 1064277038 /nfs/dbraw/zinc/27/70/38/1064277038.db2.gz LNOPQFBRDXISCG-OAQYLSRUSA-N 1 1 492.690 2.676 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2C[C@]3(CCOC3)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291784674 1064280107 /nfs/dbraw/zinc/28/01/07/1064280107.db2.gz HRXDDUOFWRCMDA-KSNOWIBYSA-N 1 1 479.666 2.823 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296163886 1064280161 /nfs/dbraw/zinc/28/01/61/1064280161.db2.gz ZBFPKJYHZWTMDO-OTWHNJEPSA-N 1 1 450.628 2.958 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296163888 1064280223 /nfs/dbraw/zinc/28/02/23/1064280223.db2.gz ZBFPKJYHZWTMDO-QRVBRYPASA-N 1 1 450.628 2.958 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291785322 1064280669 /nfs/dbraw/zinc/28/06/69/1064280669.db2.gz VCVGGQHDUOAWMN-KRWDZBQOSA-N 1 1 460.554 2.805 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001296163915 1064280811 /nfs/dbraw/zinc/28/08/11/1064280811.db2.gz ZGFXBGQMBFEDIQ-UAFMIMERSA-N 1 1 478.638 2.542 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C[C@@H]1C ZINC001296163913 1064280851 /nfs/dbraw/zinc/28/08/51/1064280851.db2.gz ZGFXBGQMBFEDIQ-FUMNGEBKSA-N 1 1 478.638 2.542 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291786139 1064282211 /nfs/dbraw/zinc/28/22/11/1064282211.db2.gz QXKLBRWTJUEUDM-OAQYLSRUSA-N 1 1 469.678 2.744 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001291785906 1064282333 /nfs/dbraw/zinc/28/23/33/1064282333.db2.gz YKTKMYWWXLCDKJ-SFHVURJKSA-N 1 1 490.599 2.897 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291786282 1064283098 /nfs/dbraw/zinc/28/30/98/1064283098.db2.gz RZXZHKKVYMSLOS-NLFFAJNJSA-N 1 1 478.682 2.744 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001296164827 1064283196 /nfs/dbraw/zinc/28/31/96/1064283196.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 1 1 459.664 2.674 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001296164827 1064283207 /nfs/dbraw/zinc/28/32/07/1064283207.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C ZINC001291786995 1064283647 /nfs/dbraw/zinc/28/36/47/1064283647.db2.gz XGQYTLABBMROKJ-GOSISDBHSA-N 1 1 486.690 2.698 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C ZINC001291786997 1064284060 /nfs/dbraw/zinc/28/40/60/1064284060.db2.gz XGQYTLABBMROKJ-SFHVURJKSA-N 1 1 486.690 2.698 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296165429 1064284845 /nfs/dbraw/zinc/28/48/45/1064284845.db2.gz JJGAWQFURJHSQJ-ILBGXUMGSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296165429 1064284856 /nfs/dbraw/zinc/28/48/56/1064284856.db2.gz JJGAWQFURJHSQJ-ILBGXUMGSA-N 1 1 483.705 2.844 20 0 JFADMO CCn1cccc(Cn2c(COc3cccc(C)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1=O ZINC001296166187 1064286994 /nfs/dbraw/zinc/28/69/94/1064286994.db2.gz MGGJVNKVBAWXJF-FQEVSTJZSA-N 1 1 450.587 2.926 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167115 1064289074 /nfs/dbraw/zinc/28/90/74/1064289074.db2.gz QRXZWNCVGZZFPG-WOJBJXKFSA-N 1 1 473.691 2.922 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296167394 1064290968 /nfs/dbraw/zinc/29/09/68/1064290968.db2.gz SGPRHVUINZIDRR-OAQYLSRUSA-N 1 1 467.618 2.896 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296168926 1064291946 /nfs/dbraw/zinc/29/19/46/1064291946.db2.gz YYAIEVYVKUJDFB-KRWDZBQOSA-N 1 1 452.525 2.662 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296168965 1064292834 /nfs/dbraw/zinc/29/28/34/1064292834.db2.gz ZGNYNKDYTYIZJK-NRFANRHFSA-N 1 1 456.635 2.807 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001296172204 1064293964 /nfs/dbraw/zinc/29/39/64/1064293964.db2.gz XRLLHRSVTAFFHH-KRWDZBQOSA-N 1 1 459.664 2.955 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296173189 1064295365 /nfs/dbraw/zinc/29/53/65/1064295365.db2.gz GOKDLEAEKOQHDN-AWEZNQCLSA-N 1 1 474.915 2.719 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296173190 1064295556 /nfs/dbraw/zinc/29/55/56/1064295556.db2.gz GOKDLEAEKOQHDN-CQSZACIVSA-N 1 1 474.915 2.719 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001291794644 1064296704 /nfs/dbraw/zinc/29/67/04/1064296704.db2.gz VATUACPRXUAXFI-OZIGNCPNSA-N 1 1 481.645 2.725 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296173926 1064299739 /nfs/dbraw/zinc/29/97/39/1064299739.db2.gz MUZKQWVHNPWQQP-REWPJTCUSA-N 1 1 470.662 2.973 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCOC)CC2)c1 ZINC001291795891 1064301560 /nfs/dbraw/zinc/30/15/60/1064301560.db2.gz XSSYKKXDXRYEJT-IBGZPJMESA-N 1 1 465.602 2.618 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnc2C)C[C@H]1C ZINC001296174667 1064301845 /nfs/dbraw/zinc/30/18/45/1064301845.db2.gz RIENCBFGKASOHT-LJQANCHMSA-N 1 1 453.591 2.991 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001296175055 1064303389 /nfs/dbraw/zinc/30/33/89/1064303389.db2.gz VMLRFWQJVQXAON-QHCPKHFHSA-N 1 1 467.662 2.993 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291796649 1064305227 /nfs/dbraw/zinc/30/52/27/1064305227.db2.gz LJEDENJXUKPNCD-AZUAARDMSA-N 1 1 470.618 2.942 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291797561 1064307049 /nfs/dbraw/zinc/30/70/49/1064307049.db2.gz XUCQXXJQXIQYBX-IRLDBZIGSA-N 1 1 481.645 2.530 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccn4)n3CCCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296179571 1064309304 /nfs/dbraw/zinc/30/93/04/1064309304.db2.gz HFOHLIZOGPXTJW-OAQYLSRUSA-N 1 1 498.676 2.813 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@H](C)OC)C2)CC1 ZINC001296180564 1064311924 /nfs/dbraw/zinc/31/19/24/1064311924.db2.gz NSFGDWJRUXLOFP-ZWKOTPCHSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Br)cc4)n3CCCOC)C2)CC1 ZINC001296181295 1064314313 /nfs/dbraw/zinc/31/43/13/1064314313.db2.gz WQCPNFFMLQQZNJ-HXUWFJFHSA-N 1 1 477.451 2.960 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3cccs3)C2)CC1 ZINC001296181392 1064314795 /nfs/dbraw/zinc/31/47/95/1064314795.db2.gz WJHIYLPMFUEJBJ-IBGZPJMESA-N 1 1 473.691 2.574 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3C[C@@H](C)OC)C2)CC1 ZINC001296181666 1064317000 /nfs/dbraw/zinc/31/70/00/1064317000.db2.gz AWJKVVQILYCLOZ-FGZHOGPDSA-N 1 1 456.635 2.725 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001296181756 1064317660 /nfs/dbraw/zinc/31/76/60/1064317660.db2.gz ZXNSFSHAYMAXDX-OAQYLSRUSA-N 1 1 485.652 2.949 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)CC1 ZINC001296181856 1064319312 /nfs/dbraw/zinc/31/93/12/1064319312.db2.gz FOEPBCXDPVWGJO-FLASPHMUSA-N 1 1 472.703 2.620 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001291804230 1064320373 /nfs/dbraw/zinc/32/03/73/1064320373.db2.gz PCSTVQLZDVXPOM-OTWHNJEPSA-N 1 1 470.618 2.940 20 0 JFADMO CCN1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182184 1064321840 /nfs/dbraw/zinc/32/18/40/1064321840.db2.gz ORSALDOIYKZMHJ-QHCPKHFHSA-N 1 1 483.705 2.970 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001296182397 1064323040 /nfs/dbraw/zinc/32/30/40/1064323040.db2.gz RWJWZLSOFBSONV-FHWLQOOXSA-N 1 1 488.599 2.807 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001291806045 1064326505 /nfs/dbraw/zinc/32/65/05/1064326505.db2.gz YRFAFVDLSVZWDT-OKZBNKHCSA-N 1 1 456.591 2.898 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSC(F)(F)F)C2)CC1 ZINC001296183055 1064326669 /nfs/dbraw/zinc/32/66/69/1064326669.db2.gz YQBCWLZBIXKHCM-GOSISDBHSA-N 1 1 486.612 2.609 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183808 1064329652 /nfs/dbraw/zinc/32/96/52/1064329652.db2.gz GHZRGAXCAGADIE-VQTJNVASSA-N 1 1 477.698 2.990 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001296184084 1064331128 /nfs/dbraw/zinc/33/11/28/1064331128.db2.gz IVGBQCJRGDWXBC-QZTJIDSGSA-N 1 1 492.043 2.678 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296184316 1064331781 /nfs/dbraw/zinc/33/17/81/1064331781.db2.gz JOQPBPRIHJHELC-SLFFLAALSA-N 1 1 486.690 2.529 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001296186586 1064334339 /nfs/dbraw/zinc/33/43/39/1064334339.db2.gz WNSLSMDWDXQQJM-HXUWFJFHSA-N 1 1 485.677 2.958 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190054 1064336953 /nfs/dbraw/zinc/33/69/53/1064336953.db2.gz BHZFOPVYDKCCGU-SFTDATJTSA-N 1 1 488.681 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190365 1064337989 /nfs/dbraw/zinc/33/79/89/1064337989.db2.gz CPLOLIXWMVTKGT-MSOLQXFVSA-N 1 1 456.557 2.754 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296190390 1064338522 /nfs/dbraw/zinc/33/85/22/1064338522.db2.gz CUWFZPCVXIJVIY-QFIPXVFZSA-N 1 1 473.710 2.732 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001291812485 1064338996 /nfs/dbraw/zinc/33/89/96/1064338996.db2.gz QHCNJCAODSARGI-CNNODRBYSA-N 1 1 472.609 2.936 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001291812487 1064339624 /nfs/dbraw/zinc/33/96/24/1064339624.db2.gz QHCNJCAODSARGI-JQVVWYNYSA-N 1 1 472.609 2.936 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnccn2)CC1 ZINC001296191228 1064341175 /nfs/dbraw/zinc/34/11/75/1064341175.db2.gz JCWZQUFCVSWCBD-OAQYLSRUSA-N 1 1 462.646 2.877 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001296191523 1064341852 /nfs/dbraw/zinc/34/18/52/1064341852.db2.gz BDYOUKMIABCGQA-UXHICEINSA-N 1 1 488.080 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296191512 1064341948 /nfs/dbraw/zinc/34/19/48/1064341948.db2.gz JDNNIXLHYJCPPY-HXUWFJFHSA-N 1 1 468.625 2.652 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001296191561 1064342019 /nfs/dbraw/zinc/34/20/19/1064342019.db2.gz JMGBKZJVLCTLMC-SFHVURJKSA-N 1 1 453.557 2.926 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291815613 1064344638 /nfs/dbraw/zinc/34/46/38/1064344638.db2.gz ABCSETFBYPVQFY-CTNGQTDRSA-N 1 1 472.609 2.938 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296192305 1064344698 /nfs/dbraw/zinc/34/46/98/1064344698.db2.gz FBKGXHVTRXLDAV-HXUWFJFHSA-N 1 1 491.631 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296192905 1064348066 /nfs/dbraw/zinc/34/80/66/1064348066.db2.gz GWEOMNSFJBJSAC-UEOMBKFZSA-N 1 1 462.683 2.902 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296193145 1064348642 /nfs/dbraw/zinc/34/86/42/1064348642.db2.gz HPTXXCPYZNMPFW-SFHVURJKSA-N 1 1 481.567 2.507 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193349 1064349571 /nfs/dbraw/zinc/34/95/71/1064349571.db2.gz IKEMZKDDJBZGJZ-AZUAARDMSA-N 1 1 458.655 2.925 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296193368 1064350348 /nfs/dbraw/zinc/35/03/48/1064350348.db2.gz IMNJPPWZXZBLQL-QPPBQGQZSA-N 1 1 497.688 2.772 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC001296193990 1064353436 /nfs/dbraw/zinc/35/34/36/1064353436.db2.gz LVHKAHFEIILILO-QFIPXVFZSA-N 1 1 472.613 2.544 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194339 1064354674 /nfs/dbraw/zinc/35/46/74/1064354674.db2.gz RIFHOEZOSIXMOO-RTWAWAEBSA-N 1 1 489.709 2.950 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296194130 1064354706 /nfs/dbraw/zinc/35/47/06/1064354706.db2.gz LSYWRIARCCTCLM-UNMCSNQZSA-N 1 1 486.661 2.851 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001296194344 1064355309 /nfs/dbraw/zinc/35/53/09/1064355309.db2.gz RKYKWJWEYVKLLC-IFMALSPDSA-N 1 1 456.683 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296195221 1064359817 /nfs/dbraw/zinc/35/98/17/1064359817.db2.gz OYJKNAUCDODKJC-QGZVFWFLSA-N 1 1 482.551 2.988 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822223 1064362005 /nfs/dbraw/zinc/36/20/05/1064362005.db2.gz ZFLNVUHYRYSZOO-OALUTQOASA-N 1 1 460.648 2.861 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296195666 1064362757 /nfs/dbraw/zinc/36/27/57/1064362757.db2.gz XBGQBYCMADEBJA-HSZRJFAPSA-N 1 1 497.688 2.615 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296196089 1064364804 /nfs/dbraw/zinc/36/48/04/1064364804.db2.gz RVWOUTGGARUHIA-OAQYLSRUSA-N 1 1 498.676 2.671 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196368 1064366549 /nfs/dbraw/zinc/36/65/49/1064366549.db2.gz SBIYNAURZJDMHW-SIKLNZKXSA-N 1 1 471.698 2.899 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196563 1064367932 /nfs/dbraw/zinc/36/79/32/1064367932.db2.gz USVKFNBIDZZDQG-NSHGMRRFSA-N 1 1 483.583 2.713 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC001296196916 1064370388 /nfs/dbraw/zinc/37/03/88/1064370388.db2.gz VVRIBQQGQQGOPB-SFHVURJKSA-N 1 1 479.633 2.898 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001296197102 1064372752 /nfs/dbraw/zinc/37/27/52/1064372752.db2.gz TZTCDSNSIQLOQS-QHCPKHFHSA-N 1 1 496.704 2.807 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296197444 1064373508 /nfs/dbraw/zinc/37/35/08/1064373508.db2.gz VNAPAGOIWNWOOB-GOSISDBHSA-N 1 1 480.455 2.679 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001296197429 1064374180 /nfs/dbraw/zinc/37/41/80/1064374180.db2.gz YPDBJQGCNYNKQL-QFIPXVFZSA-N 1 1 457.667 2.724 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296203736 1064382202 /nfs/dbraw/zinc/38/22/02/1064382202.db2.gz OGHPCWHQMXSYTF-DEOSSOPVSA-N 1 1 454.623 2.579 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203841 1064384056 /nfs/dbraw/zinc/38/40/56/1064384056.db2.gz PUZIXHZKBKYSNQ-OAQYLSRUSA-N 1 1 475.588 2.562 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001296204419 1064386293 /nfs/dbraw/zinc/38/62/93/1064386293.db2.gz VWUOINPIPTWAHC-IRLDBZIGSA-N 1 1 471.625 2.969 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205198 1064389377 /nfs/dbraw/zinc/38/93/77/1064389377.db2.gz YHNSSNPBZBYRHF-CTNGQTDRSA-N 1 1 475.682 2.923 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2scnc2C)CC1 ZINC001296205187 1064389512 /nfs/dbraw/zinc/38/95/12/1064389512.db2.gz YCRGPCWHPUYAIA-FQEVSTJZSA-N 1 1 461.680 2.991 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205564 1064390938 /nfs/dbraw/zinc/39/09/38/1064390938.db2.gz WPAAZGRLZPGGLA-GHTZIAJQSA-N 1 1 457.598 2.593 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291831124 1064391535 /nfs/dbraw/zinc/39/15/35/1064391535.db2.gz ZUMSNZOKKJPXAA-BHIFYINESA-N 1 1 461.699 2.949 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296205844 1064391881 /nfs/dbraw/zinc/39/18/81/1064391881.db2.gz ZOFSNGGLWWQMIX-UHFFFAOYSA-N 1 1 467.540 2.649 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296205767 1064391947 /nfs/dbraw/zinc/39/19/47/1064391947.db2.gz YPNRVFNJINIKNM-IBGZPJMESA-N 1 1 461.655 2.534 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@H](C)C2)CC1 ZINC001296205897 1064392518 /nfs/dbraw/zinc/39/25/18/1064392518.db2.gz FOSBGWZFWIXLCF-IBGZPJMESA-N 1 1 472.634 2.845 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296205930 1064392761 /nfs/dbraw/zinc/39/27/61/1064392761.db2.gz GQZGCENKHJLAMW-HXUWFJFHSA-N 1 1 472.634 2.605 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)s3)nnc2N2CCOCC2)CC1 ZINC001296207597 1064398763 /nfs/dbraw/zinc/39/87/63/1064398763.db2.gz ZFZXAGZOURNBKT-UHFFFAOYSA-N 1 1 469.453 2.633 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001296210308 1064400863 /nfs/dbraw/zinc/40/08/63/1064400863.db2.gz DWYXMVQKDYGKEJ-JOCHJYFZSA-N 1 1 475.726 2.883 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001296210313 1064400878 /nfs/dbraw/zinc/40/08/78/1064400878.db2.gz DWYXMVQKDYGKEJ-QFIPXVFZSA-N 1 1 475.726 2.883 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296212090 1064403619 /nfs/dbraw/zinc/40/36/19/1064403619.db2.gz UWUFREFKLKYQQW-OAQYLSRUSA-N 1 1 477.698 2.998 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001296214863 1064415022 /nfs/dbraw/zinc/41/50/22/1064415022.db2.gz PHZBORAYELTXGD-UHFFFAOYSA-N 1 1 459.683 2.585 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296214852 1064415035 /nfs/dbraw/zinc/41/50/35/1064415035.db2.gz PEINZEIRFWGXLN-OFNKIYASSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291852453 1064459837 /nfs/dbraw/zinc/45/98/37/1064459837.db2.gz YALSGLUUHUPVLQ-MZEQIWSPSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291852453 1064459840 /nfs/dbraw/zinc/45/98/40/1064459840.db2.gz YALSGLUUHUPVLQ-MZEQIWSPSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291857909 1064466145 /nfs/dbraw/zinc/46/61/45/1064466145.db2.gz QITGFTNYZORFLI-PZJWPPBQSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291859113 1064468423 /nfs/dbraw/zinc/46/84/23/1064468423.db2.gz WSWQSTILMABJEN-MQSCRBSSSA-N 1 1 467.662 2.513 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291859366 1064468449 /nfs/dbraw/zinc/46/84/49/1064468449.db2.gz YRONIIJVQFMUAT-MDNUFGMLSA-N 1 1 468.646 2.844 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296235128 1064482362 /nfs/dbraw/zinc/48/23/62/1064482362.db2.gz YVUSREPFOMINDQ-OAQYLSRUSA-N 1 1 478.645 2.799 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001296235099 1064482377 /nfs/dbraw/zinc/48/23/77/1064482377.db2.gz YBIXOKDFFPPBFD-UHFFFAOYSA-N 1 1 453.616 2.886 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001296239431 1064485125 /nfs/dbraw/zinc/48/51/25/1064485125.db2.gz JDWKQSTZXBFYFI-FCEUIQTBSA-N 1 1 495.672 2.881 20 0 JFADMO CC[C@H](c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291873576 1064487352 /nfs/dbraw/zinc/48/73/52/1064487352.db2.gz HFQNMJSPWBTSRC-DEOSSOPVSA-N 1 1 481.689 2.903 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001296248375 1064508945 /nfs/dbraw/zinc/50/89/45/1064508945.db2.gz BMEWFZYWSIWGLK-NRFANRHFSA-N 1 1 498.672 2.972 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001296248375 1064508960 /nfs/dbraw/zinc/50/89/60/1064508960.db2.gz BMEWFZYWSIWGLK-NRFANRHFSA-N 1 1 498.672 2.972 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001291887989 1064510909 /nfs/dbraw/zinc/51/09/09/1064510909.db2.gz MCJMILUXFMDWGP-SIKLNZKXSA-N 1 1 474.675 2.774 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889230 1064514630 /nfs/dbraw/zinc/51/46/30/1064514630.db2.gz ZXNXGECHGXRWIU-WIOPSUGQSA-N 1 1 481.689 2.762 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001296251750 1064515462 /nfs/dbraw/zinc/51/54/62/1064515462.db2.gz UAKBWLNOVRVYAQ-XRXFAXGQSA-N 1 1 490.693 2.516 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296253579 1064516345 /nfs/dbraw/zinc/51/63/45/1064516345.db2.gz AIFYSAQYTWYITD-XUVXKRRUSA-N 1 1 478.682 2.516 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC001296256396 1064520405 /nfs/dbraw/zinc/52/04/05/1064520405.db2.gz BPKYVHYKQHCPGM-UHFFFAOYSA-N 1 1 451.354 2.886 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291895410 1064526188 /nfs/dbraw/zinc/52/61/88/1064526188.db2.gz VWNSDLJYUDDEPY-HUBRGWSESA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895907 1064527532 /nfs/dbraw/zinc/52/75/32/1064527532.db2.gz ZKNXOLDYYPRKOG-IEBWSBKVSA-N 1 1 482.551 2.655 20 0 JFADMO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904481 1064535201 /nfs/dbraw/zinc/53/52/01/1064535201.db2.gz PRMZDBDXYXLHRG-ONTLXTELSA-N 1 1 482.673 2.970 20 0 JFADMO CCC(CC)(Cn1c(C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001291911736 1064538458 /nfs/dbraw/zinc/53/84/58/1064538458.db2.gz GQGHMQQUABXVRM-IBGZPJMESA-N 1 1 450.628 2.971 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCOCC)CC2)cc1 ZINC001296272194 1064541175 /nfs/dbraw/zinc/54/11/75/1064541175.db2.gz KEUJWZZYPKVZIV-UHFFFAOYSA-N 1 1 477.613 2.605 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC001296273768 1064542841 /nfs/dbraw/zinc/54/28/41/1064542841.db2.gz OWBHSNACMKUVSH-KNQAVFIVSA-N 1 1 468.646 2.822 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC001296273770 1064542938 /nfs/dbraw/zinc/54/29/38/1064542938.db2.gz OWBHSNACMKUVSH-UGKGYDQZSA-N 1 1 468.646 2.822 20 0 JFADMO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001291923916 1064544975 /nfs/dbraw/zinc/54/49/75/1064544975.db2.gz SWIBMJWKEWKSLK-NRFANRHFSA-N 1 1 473.666 2.710 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001291932286 1064550022 /nfs/dbraw/zinc/55/00/22/1064550022.db2.gz GRXXCLDGGSLFAS-LJQANCHMSA-N 1 1 469.696 2.944 20 0 JFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC001291934586 1064553517 /nfs/dbraw/zinc/55/35/17/1064553517.db2.gz CUFCIATXZMVXGQ-UHFFFAOYSA-N 1 1 451.508 2.577 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC001296283107 1064554759 /nfs/dbraw/zinc/55/47/59/1064554759.db2.gz UCGLXDZTDPZPCR-UGKGYDQZSA-N 1 1 468.646 2.822 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296287253 1064559551 /nfs/dbraw/zinc/55/95/51/1064559551.db2.gz SGOBKGFRTDJXFI-UPVQGACJSA-N 1 1 481.689 2.810 20 0 JFADMO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291945580 1064560438 /nfs/dbraw/zinc/56/04/38/1064560438.db2.gz MIPQXQPCXAXSDN-NNMXDRDESA-N 1 1 459.612 2.643 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001296288974 1064562827 /nfs/dbraw/zinc/56/28/27/1064562827.db2.gz OBUNCDSLCQRNCC-UHFFFAOYSA-N 1 1 493.656 2.993 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001296289252 1064563971 /nfs/dbraw/zinc/56/39/71/1064563971.db2.gz PUEQYYBGPXEBRV-JOCHJYFZSA-N 1 1 467.662 2.776 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296289351 1064564452 /nfs/dbraw/zinc/56/44/52/1064564452.db2.gz RYMACIWUHDQOHP-NRFANRHFSA-N 1 1 485.652 2.854 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001291956310 1064571387 /nfs/dbraw/zinc/57/13/87/1064571387.db2.gz QWNYOGOAIYGJEV-GOTSBHOMSA-N 1 1 485.677 2.868 20 0 JFADMO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001291958772 1064572544 /nfs/dbraw/zinc/57/25/44/1064572544.db2.gz HAJIVFCVLJLWJV-RXVVDRJESA-N 1 1 458.603 2.977 20 0 JFADMO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@@H+](C(C)C)CC1)N1CCOCC1 ZINC001291963525 1064576893 /nfs/dbraw/zinc/57/68/93/1064576893.db2.gz KQJXMCFJIBHQQC-QHCPKHFHSA-N 1 1 470.666 2.793 20 0 JFADMO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)C)CC1)N1CCOCC1 ZINC001291963525 1064576912 /nfs/dbraw/zinc/57/69/12/1064576912.db2.gz KQJXMCFJIBHQQC-QHCPKHFHSA-N 1 1 470.666 2.793 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001296303083 1064583168 /nfs/dbraw/zinc/58/31/68/1064583168.db2.gz ZBFSKGVGPSQDKA-RTBURBONSA-N 1 1 473.597 2.893 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001296308286 1064589204 /nfs/dbraw/zinc/58/92/04/1064589204.db2.gz WCHYESIDDKCGCR-UHFFFAOYSA-N 1 1 485.633 2.688 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001296309959 1064590702 /nfs/dbraw/zinc/59/07/02/1064590702.db2.gz JVJRSQHANCAJQB-FQEVSTJZSA-N 1 1 456.639 2.503 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)on1 ZINC001291976757 1064592987 /nfs/dbraw/zinc/59/29/87/1064592987.db2.gz IUCLTKLRDMJNGY-RYRKJORJSA-N 1 1 479.651 2.501 20 0 JFADMO Cc1cc(=O)c(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001296323240 1064605898 /nfs/dbraw/zinc/60/58/98/1064605898.db2.gz NYTJDFYNJNOYNW-INIZCTEOSA-N 1 1 452.477 2.790 20 0 JFADMO Cc1ccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001296324090 1064607374 /nfs/dbraw/zinc/60/73/74/1064607374.db2.gz WEISLJAHSWAYAK-HXUWFJFHSA-N 1 1 459.612 2.704 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COCC)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001296324561 1064609955 /nfs/dbraw/zinc/60/99/55/1064609955.db2.gz MEALOAZAHDOZJN-UHFFFAOYSA-N 1 1 457.623 2.555 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001296324783 1064612245 /nfs/dbraw/zinc/61/22/45/1064612245.db2.gz CBRMINKQEBCIOA-CEXWTWQISA-N 1 1 494.637 2.560 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001296325045 1064614166 /nfs/dbraw/zinc/61/41/66/1064614166.db2.gz SAELDFMILKMWPS-DFQSSKMNSA-N 1 1 461.655 2.531 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001296328310 1064623282 /nfs/dbraw/zinc/62/32/82/1064623282.db2.gz BAZLFRCMJGXYDB-LAUBAEHRSA-N 1 1 460.648 2.508 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001292008543 1064630332 /nfs/dbraw/zinc/63/03/32/1064630332.db2.gz CKVNNWMNSKOXGP-RUZDIDTESA-N 1 1 467.618 2.771 20 0 JFADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001292010541 1064636546 /nfs/dbraw/zinc/63/65/46/1064636546.db2.gz LMIJRKVVUSUQNQ-KSZLIROESA-N 1 1 458.607 2.893 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292013006 1064638070 /nfs/dbraw/zinc/63/80/70/1064638070.db2.gz GXICUFBIBFIBDE-FGZHOGPDSA-N 1 1 481.645 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292013404 1064640119 /nfs/dbraw/zinc/64/01/19/1064640119.db2.gz KAXZENLUIBBPNX-SFHVURJKSA-N 1 1 464.655 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016182 1064648598 /nfs/dbraw/zinc/64/85/98/1064648598.db2.gz DDOABSWIYACRIY-SIKLNZKXSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCCCS1 ZINC001292016461 1064649234 /nfs/dbraw/zinc/64/92/34/1064649234.db2.gz FFHDJHFLOPEICX-YSIASYRMSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001292018289 1064653134 /nfs/dbraw/zinc/65/31/34/1064653134.db2.gz QDKZXDTVUUBGBQ-IERDGZPVSA-N 1 1 476.572 2.680 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292023038 1064667158 /nfs/dbraw/zinc/66/71/58/1064667158.db2.gz NUJNXWFNCNKKJO-ZOBUZTSGSA-N 1 1 460.545 2.694 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)SC ZINC001292040503 1064705553 /nfs/dbraw/zinc/70/55/53/1064705553.db2.gz GGXKFQNDJVVBTQ-QFIPXVFZSA-N 1 1 452.669 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC1CC(F)(F)C1 ZINC001292042307 1064707619 /nfs/dbraw/zinc/70/76/19/1064707619.db2.gz RIMCSQUTNHAUPM-OAQYLSRUSA-N 1 1 454.566 2.543 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3nc(C)no3)CC2)n1CCCn1cc[nH+]c1C ZINC001292051370 1064716150 /nfs/dbraw/zinc/71/61/50/1064716150.db2.gz XHTUXJXRKXWGKC-UHFFFAOYSA-N 1 1 469.594 2.867 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001292053023 1064717434 /nfs/dbraw/zinc/71/74/34/1064717434.db2.gz IYWLGRZXYXUGHQ-HXUWFJFHSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cc(F)ccc1OC ZINC001292054755 1064721479 /nfs/dbraw/zinc/72/14/79/1064721479.db2.gz IIPUYFAHJLRTAF-GOSISDBHSA-N 1 1 488.608 2.551 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCO1 ZINC001292055033 1064723162 /nfs/dbraw/zinc/72/31/62/1064723162.db2.gz FFGFIFNDIGWZIH-XQBPLPMBSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292056177 1064726055 /nfs/dbraw/zinc/72/60/55/1064726055.db2.gz STYLUPGFZVLKHK-XMMPIXPASA-N 1 1 498.672 2.696 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072395 1064751253 /nfs/dbraw/zinc/75/12/53/1064751253.db2.gz RALXRFIMTJUAOG-PEBXRYMYSA-N 1 1 452.958 2.873 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292073914 1064752874 /nfs/dbraw/zinc/75/28/74/1064752874.db2.gz LBUBHQJFPNEXAZ-UHFFFAOYSA-N 1 1 477.613 2.992 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1CC[NH+]1CCSCC1 ZINC001292075865 1064756441 /nfs/dbraw/zinc/75/64/41/1064756441.db2.gz SIBHFSNJIRKICC-UHFFFAOYSA-N 1 1 478.066 2.856 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080152 1064763613 /nfs/dbraw/zinc/76/36/13/1064763613.db2.gz NTKRURZZJZWCAH-LEWJYISDSA-N 1 1 457.615 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292086424 1064769242 /nfs/dbraw/zinc/76/92/42/1064769242.db2.gz SEYWXQZLZNJWJI-NQIIRXRSSA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001292089480 1064773914 /nfs/dbraw/zinc/77/39/14/1064773914.db2.gz KPUJQFSYTNNJEF-AZUAARDMSA-N 1 1 498.676 2.787 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001292089482 1064774018 /nfs/dbraw/zinc/77/40/18/1064774018.db2.gz KPUJQFSYTNNJEF-QUCCMNQESA-N 1 1 498.676 2.787 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292090532 1064776009 /nfs/dbraw/zinc/77/60/09/1064776009.db2.gz PXGDOFGGYRYBSS-NHCUHLMSSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCCn1cc[nH+]c1C ZINC001292093958 1064782776 /nfs/dbraw/zinc/78/27/76/1064782776.db2.gz HBYFNCOCQJGXKJ-IBGZPJMESA-N 1 1 467.622 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292094236 1064783640 /nfs/dbraw/zinc/78/36/40/1064783640.db2.gz IXDKYHJOAGIRSE-ROUUACIJSA-N 1 1 458.611 2.614 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292094237 1064783657 /nfs/dbraw/zinc/78/36/57/1064783657.db2.gz IXDKYHJOAGIRSE-ZWKOTPCHSA-N 1 1 458.611 2.614 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292094429 1064784516 /nfs/dbraw/zinc/78/45/16/1064784516.db2.gz KQEQIJPHZYIHCR-ICSRJNTNSA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001292101934 1064792484 /nfs/dbraw/zinc/79/24/84/1064792484.db2.gz SRVCLTDYVIBGHT-RTWAWAEBSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001292101934 1064792502 /nfs/dbraw/zinc/79/25/02/1064792502.db2.gz SRVCLTDYVIBGHT-RTWAWAEBSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292102197 1064792947 /nfs/dbraw/zinc/79/29/47/1064792947.db2.gz UXILMLWWMHSCBI-MOPGFXCFSA-N 1 1 457.623 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCN1CCOC(C)(C)C1 ZINC001292105784 1064800466 /nfs/dbraw/zinc/80/04/66/1064800466.db2.gz ORZJQQTVCSXDJT-UHFFFAOYSA-N 1 1 489.709 2.762 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCn1cc[nH+]c1C ZINC001292106611 1064804904 /nfs/dbraw/zinc/80/49/04/1064804904.db2.gz YSMAOWWNZDSKCE-UHFFFAOYSA-N 1 1 483.596 2.652 20 0 JFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108510 1064805599 /nfs/dbraw/zinc/80/55/99/1064805599.db2.gz HJIUJDOKUANYCL-HLAWJBBLSA-N 1 1 458.603 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292109165 1064806975 /nfs/dbraw/zinc/80/69/75/1064806975.db2.gz FKXFNVYLPGPLDV-GIVPXCGWSA-N 1 1 473.666 2.518 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC1CCCCC1 ZINC001292109853 1064809568 /nfs/dbraw/zinc/80/95/68/1064809568.db2.gz CIOSBENOVDPLLQ-OAQYLSRUSA-N 1 1 473.666 2.520 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCC1CCCC1 ZINC001292110223 1064811555 /nfs/dbraw/zinc/81/15/55/1064811555.db2.gz FZCJNXFQQKZSGP-QFIPXVFZSA-N 1 1 487.693 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001292113281 1064821626 /nfs/dbraw/zinc/82/16/26/1064821626.db2.gz CIWYQPYPLGHNHT-UHFFFAOYSA-N 1 1 497.644 2.533 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292115898 1064835123 /nfs/dbraw/zinc/83/51/23/1064835123.db2.gz NDKHNVLYXJPGAU-OAQYLSRUSA-N 1 1 468.650 2.793 20 0 JFADMO CCn1cc(-c2nn(C)cc2C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cn1 ZINC001292120187 1064849815 /nfs/dbraw/zinc/84/98/15/1064849815.db2.gz BPCBTTNFLHCXDP-UHFFFAOYSA-N 1 1 455.994 2.899 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001292123328 1064861063 /nfs/dbraw/zinc/86/10/63/1064861063.db2.gz CNWWIZGYZXRAMX-NRFANRHFSA-N 1 1 497.688 2.920 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC(C)(C)C(=O)NC ZINC001292123481 1064861791 /nfs/dbraw/zinc/86/17/91/1064861791.db2.gz FGAAXHLTBIOBQW-IBGZPJMESA-N 1 1 483.661 2.679 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1Cc1nc(C)cs1 ZINC001292124160 1064865287 /nfs/dbraw/zinc/86/52/87/1064865287.db2.gz LSAGKEWLRZCWBT-OAQYLSRUSA-N 1 1 497.669 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001292125412 1064869122 /nfs/dbraw/zinc/86/91/22/1064869122.db2.gz SHGRGHODSMEMCR-FQEVSTJZSA-N 1 1 495.672 2.898 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001292126198 1064874354 /nfs/dbraw/zinc/87/43/54/1064874354.db2.gz YRVTVWFZTLVZBX-HSZRJFAPSA-N 1 1 495.603 2.635 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@](C)(O)C1CC1 ZINC001292126885 1064878721 /nfs/dbraw/zinc/87/87/21/1064878721.db2.gz RFQUBSYLIFQPLF-QHCPKHFHSA-N 1 1 460.648 2.741 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(O)cc1 ZINC001292127182 1064880842 /nfs/dbraw/zinc/88/08/42/1064880842.db2.gz YZQCOCKQQAWBED-GOSISDBHSA-N 1 1 470.618 2.640 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001292134070 1064891386 /nfs/dbraw/zinc/89/13/86/1064891386.db2.gz PIGAAULBQXAWPW-RIPCNWKXSA-N 1 1 486.686 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001292145252 1064918512 /nfs/dbraw/zinc/91/85/12/1064918512.db2.gz SQEJBKRCCNAEJL-HKUYNNGSSA-N 1 1 475.663 2.963 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292145950 1064922244 /nfs/dbraw/zinc/92/22/44/1064922244.db2.gz YODBNAGGFKCIDY-HKUYNNGSSA-N 1 1 475.663 2.881 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](CC)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292146552 1064924096 /nfs/dbraw/zinc/92/40/96/1064924096.db2.gz CWYZXKLFMLDEJF-LJQANCHMSA-N 1 1 465.712 2.554 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292154710 1064936092 /nfs/dbraw/zinc/93/60/92/1064936092.db2.gz MFYUNFKXYXXJMQ-KMEZTADASA-N 1 1 489.665 2.784 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292154711 1064936184 /nfs/dbraw/zinc/93/61/84/1064936184.db2.gz MFYUNFKXYXXJMQ-MVIPISOYSA-N 1 1 489.665 2.784 20 0 JFADMO CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cn2c1 ZINC001292156896 1064937628 /nfs/dbraw/zinc/93/76/28/1064937628.db2.gz VHGDCECMCWVYDQ-IBGZPJMESA-N 1 1 457.575 2.686 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001292159036 1064939548 /nfs/dbraw/zinc/93/95/48/1064939548.db2.gz CFUPTGDCLBMHFR-HXUWFJFHSA-N 1 1 476.666 2.847 20 0 JFADMO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292163745 1064949872 /nfs/dbraw/zinc/94/98/72/1064949872.db2.gz NTZDRIVRGMZORS-SFTDATJTSA-N 1 1 488.658 2.645 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170374 1064955888 /nfs/dbraw/zinc/95/58/88/1064955888.db2.gz CELKNNAWRJZEIJ-UYAOXDASSA-N 1 1 496.653 2.806 20 0 JFADMO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001292174922 1064964530 /nfs/dbraw/zinc/96/45/30/1064964530.db2.gz PJVRKXQAQQRXMN-UWJYYQICSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)Oc1cccc(F)c1 ZINC001292175282 1064964901 /nfs/dbraw/zinc/96/49/01/1064964901.db2.gz QZBIAGIAAPOLHJ-OAQYLSRUSA-N 1 1 460.598 2.964 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)Oc1cccc(F)c1 ZINC001292175282 1064964911 /nfs/dbraw/zinc/96/49/11/1064964911.db2.gz QZBIAGIAAPOLHJ-OAQYLSRUSA-N 1 1 460.598 2.964 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208057 1064996304 /nfs/dbraw/zinc/99/63/04/1064996304.db2.gz AXDZAZILXLAVOW-FYYLOGMGSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208057 1064996315 /nfs/dbraw/zinc/99/63/15/1064996315.db2.gz AXDZAZILXLAVOW-FYYLOGMGSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292219336 1065006364 /nfs/dbraw/zinc/00/63/64/1065006364.db2.gz NEBFZXDQEHQIHG-NJDAHSKKSA-N 1 1 492.665 2.634 20 0 JFADMO CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1)OC ZINC001292222672 1065009269 /nfs/dbraw/zinc/00/92/69/1065009269.db2.gz GAKNMJAOTQYRSM-WOIUINJBSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292226993 1065014759 /nfs/dbraw/zinc/01/47/59/1065014759.db2.gz VCCGNSWGDXNQAU-FCHUYYIVSA-N 1 1 454.619 2.581 20 0 JFADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1)[N@H+]1CCc2ccccc2C1 ZINC001292231332 1065018122 /nfs/dbraw/zinc/01/81/22/1065018122.db2.gz UFBRWLUHEIBPAN-HSZRJFAPSA-N 1 1 482.673 2.999 20 0 JFADMO COc1cc2nc(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c(=O)n(C)c2cc1OC ZINC001292274596 1065051854 /nfs/dbraw/zinc/05/18/54/1065051854.db2.gz SMYPFMRPWZNBST-GOSISDBHSA-N 1 1 450.539 2.593 20 0 JFADMO CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1ncn(Cc3cccc(Br)c3)n1)n2C ZINC001292278485 1065054343 /nfs/dbraw/zinc/05/43/43/1065054343.db2.gz QHPXFUBSWZGWTO-UHFFFAOYSA-N 1 1 455.320 2.689 20 0 JFADMO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001292278187 1065054431 /nfs/dbraw/zinc/05/44/31/1065054431.db2.gz MPSNEWPATCVCOJ-OAQYLSRUSA-N 1 1 456.344 2.664 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292288376 1065060708 /nfs/dbraw/zinc/06/07/08/1065060708.db2.gz AIZVVKHZHIWUCI-QFIPXVFZSA-N 1 1 490.718 2.713 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001292325714 1065086406 /nfs/dbraw/zinc/08/64/06/1065086406.db2.gz JKFXTPOKICGUFT-ROUUACIJSA-N 1 1 458.525 2.765 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001292333170 1065089163 /nfs/dbraw/zinc/08/91/63/1065089163.db2.gz VDVXPXVRRBJOFM-JXALWOEJSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001292344851 1065092856 /nfs/dbraw/zinc/09/28/56/1065092856.db2.gz BNGPUPRRZGFFIC-XWFZLUIHSA-N 1 1 499.081 2.850 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001292357263 1065102082 /nfs/dbraw/zinc/10/20/82/1065102082.db2.gz SWYCLXSECQTDSI-SANMLTNESA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001292357263 1065102085 /nfs/dbraw/zinc/10/20/85/1065102085.db2.gz SWYCLXSECQTDSI-SANMLTNESA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001292357263 1065102092 /nfs/dbraw/zinc/10/20/92/1065102092.db2.gz SWYCLXSECQTDSI-SANMLTNESA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001292365675 1065107057 /nfs/dbraw/zinc/10/70/57/1065107057.db2.gz RPLLUSZEPHIIRC-RUZDIDTESA-N 1 1 457.619 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001292365675 1065107061 /nfs/dbraw/zinc/10/70/61/1065107061.db2.gz RPLLUSZEPHIIRC-RUZDIDTESA-N 1 1 457.619 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001292379287 1065123867 /nfs/dbraw/zinc/12/38/67/1065123867.db2.gz KAZGSEVJPMGNTI-YADARESESA-N 1 1 461.582 2.848 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421056 1065152908 /nfs/dbraw/zinc/15/29/08/1065152908.db2.gz YSNAHQJQTXLMGQ-HLLBOEOZSA-N 1 1 450.536 2.660 20 0 JFADMO CCc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001292460004 1065187214 /nfs/dbraw/zinc/18/72/14/1065187214.db2.gz WDXBRJSLNQQNJO-UNMCSNQZSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CC)C2)[NH+](C)C)cc1 ZINC001292462405 1065191522 /nfs/dbraw/zinc/19/15/22/1065191522.db2.gz SERFLUHSRZXTNX-BDTNDASRSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292477914 1065201838 /nfs/dbraw/zinc/20/18/38/1065201838.db2.gz DCZNBAMPMWHXIE-DENIHFKCSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292479477 1065203711 /nfs/dbraw/zinc/20/37/11/1065203711.db2.gz NPIAIBZYIJJMFW-DENIHFKCSA-N 1 1 468.646 2.827 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292488941 1065210657 /nfs/dbraw/zinc/21/06/57/1065210657.db2.gz UXDNFIUJXFNMTB-UQBPGWFLSA-N 1 1 454.619 2.710 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292490560 1065211841 /nfs/dbraw/zinc/21/18/41/1065211841.db2.gz QIBOPOHSVBQPKU-AREMUKBSSA-N 1 1 468.646 2.971 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292496332 1065214543 /nfs/dbraw/zinc/21/45/43/1065214543.db2.gz HPGYXBSBMVTDBZ-IBGZPJMESA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001292508236 1065226265 /nfs/dbraw/zinc/22/62/65/1065226265.db2.gz YPVUNTIQCQLLCK-NZQKXSOJSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCC(=O)N[C@@H](C)CC)cc1 ZINC001292513200 1065232018 /nfs/dbraw/zinc/23/20/18/1065232018.db2.gz AGZRBOAYPRXGAY-NZQKXSOJSA-N 1 1 495.672 2.555 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCCOC(F)F)cc1 ZINC001292513187 1065232254 /nfs/dbraw/zinc/23/22/54/1065232254.db2.gz ACTNIMJNRSVFIX-HXUWFJFHSA-N 1 1 476.572 2.880 20 0 JFADMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2)c1 ZINC001292513704 1065233925 /nfs/dbraw/zinc/23/39/25/1065233925.db2.gz AABBLBNOXYBBAK-GOTSBHOMSA-N 1 1 457.596 2.775 20 0 JFADMO O=C(c1c(F)ccc(I)c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001292515685 1065236945 /nfs/dbraw/zinc/23/69/45/1065236945.db2.gz UQJAGDYZAIQPIW-CHWSQXEVSA-N 1 1 452.695 2.755 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292520464 1065245317 /nfs/dbraw/zinc/24/53/17/1065245317.db2.gz KFLXTPCALXDMDU-BWKNWUBXSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(=O)NC)cc1 ZINC001292520748 1065246441 /nfs/dbraw/zinc/24/64/41/1065246441.db2.gz STFVVNYAJHDLQS-OYRHEFFESA-N 1 1 467.662 2.638 20 0 JFADMO O=C(NC[C@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523696 1065248271 /nfs/dbraw/zinc/24/82/71/1065248271.db2.gz JMDRWAJZGOZSDB-NLFFAJNJSA-N 1 1 454.546 2.823 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001292524950 1065250350 /nfs/dbraw/zinc/25/03/50/1065250350.db2.gz AKODPTAMTVXOPU-XZOQPEGZSA-N 1 1 468.646 2.969 20 0 JFADMO CCCS(=O)(=O)Nc1cc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c(F)cc1F ZINC001292527844 1065253760 /nfs/dbraw/zinc/25/37/60/1065253760.db2.gz OYWKLDCEOUIYOR-UHFFFAOYSA-N 1 1 453.515 2.516 20 0 JFADMO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541766 1065263864 /nfs/dbraw/zinc/26/38/64/1065263864.db2.gz WZJBKTRNDDXYND-VSVJTWGKSA-N 1 1 454.615 2.900 20 0 JFADMO CC(C)[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2cccnc2)no1 ZINC001292545345 1065266191 /nfs/dbraw/zinc/26/61/91/1065266191.db2.gz CJZDOSNNESYGKX-LJQANCHMSA-N 1 1 458.563 2.888 20 0 JFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC001292564611 1065277010 /nfs/dbraw/zinc/27/70/10/1065277010.db2.gz SXIGXBQFDOJWIN-UHFFFAOYSA-N 1 1 459.348 2.535 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@@H+](C)C(C)C ZINC001292577990 1065289668 /nfs/dbraw/zinc/28/96/68/1065289668.db2.gz KAEFIWHZRTWCAP-UHFFFAOYSA-N 1 1 481.601 2.983 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1 ZINC001292585358 1065301366 /nfs/dbraw/zinc/30/13/66/1065301366.db2.gz UYJHGXZDBZXGCO-KRWDZBQOSA-N 1 1 455.559 2.990 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCSC1 ZINC001292588067 1065303399 /nfs/dbraw/zinc/30/33/99/1065303399.db2.gz YQEOXZCXKVAFSW-VWLOTQADSA-N 1 1 489.686 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCSC1 ZINC001292588067 1065303410 /nfs/dbraw/zinc/30/34/10/1065303410.db2.gz YQEOXZCXKVAFSW-VWLOTQADSA-N 1 1 489.686 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCSC1 ZINC001292588066 1065303578 /nfs/dbraw/zinc/30/35/78/1065303578.db2.gz YQEOXZCXKVAFSW-RUZDIDTESA-N 1 1 489.686 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCSC1 ZINC001292588066 1065303602 /nfs/dbraw/zinc/30/36/02/1065303602.db2.gz YQEOXZCXKVAFSW-RUZDIDTESA-N 1 1 489.686 2.835 20 0 JFADMO CCS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC001292636672 1065374057 /nfs/dbraw/zinc/37/40/57/1065374057.db2.gz WIQSOCXGGTUZII-UHFFFAOYSA-N 1 1 450.992 2.783 20 0 JFADMO CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCn2cc[nH+]c2C)s1 ZINC001292641283 1065376922 /nfs/dbraw/zinc/37/69/22/1065376922.db2.gz HCDIVIRGKGBOKJ-QGZVFWFLSA-N 1 1 477.660 2.821 20 0 JFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001292641949 1065378168 /nfs/dbraw/zinc/37/81/68/1065378168.db2.gz MSFLYERJCUYHHJ-ZHRRBRCNSA-N 1 1 452.983 2.791 20 0 JFADMO CCN(CC(C)C)c1nc(CC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC001292660146 1065395296 /nfs/dbraw/zinc/39/52/96/1065395296.db2.gz BIAYKYGDUGLHCK-UHFFFAOYSA-N 1 1 457.644 2.629 20 0 JFADMO CCc1nc(CCn2c(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720254 1065480038 /nfs/dbraw/zinc/48/00/38/1065480038.db2.gz FFSBUCQMMQYMKP-SFHVURJKSA-N 1 1 459.664 2.580 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001292762503 1065519023 /nfs/dbraw/zinc/51/90/23/1065519023.db2.gz NIIVKVKXIZWJPE-UHFFFAOYSA-N 1 1 468.650 2.974 20 0 JFADMO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001292768668 1065523411 /nfs/dbraw/zinc/52/34/11/1065523411.db2.gz DMTAPZSCNPYBJK-RTBURBONSA-N 1 1 493.100 2.784 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001292769112 1065524995 /nfs/dbraw/zinc/52/49/95/1065524995.db2.gz ZKANOULUZCAJFS-BGYRXZFFSA-N 1 1 456.683 2.742 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001292773206 1065531004 /nfs/dbraw/zinc/53/10/04/1065531004.db2.gz ZXVCEFDBKJPWBL-UHFFFAOYSA-N 1 1 453.591 2.579 20 0 JFADMO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(CC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001292774191 1065531765 /nfs/dbraw/zinc/53/17/65/1065531765.db2.gz MLNAIROPXXMZSU-KDURUIRLSA-N 1 1 493.100 2.611 20 0 JFADMO Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)c(C)n1-c1ccon1 ZINC001292791659 1065553350 /nfs/dbraw/zinc/55/33/50/1065553350.db2.gz IITUBVYBDNBRJO-UHFFFAOYSA-N 1 1 457.556 2.661 20 0 JFADMO Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)c(C)n1-c1ccon1 ZINC001292791659 1065553367 /nfs/dbraw/zinc/55/33/67/1065553367.db2.gz IITUBVYBDNBRJO-UHFFFAOYSA-N 1 1 457.556 2.661 20 0 JFADMO Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001292792377 1065553484 /nfs/dbraw/zinc/55/34/84/1065553484.db2.gz SKTDSDLIRLYJAF-UHFFFAOYSA-N 1 1 454.552 2.827 20 0 JFADMO Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001292792377 1065553498 /nfs/dbraw/zinc/55/34/98/1065553498.db2.gz SKTDSDLIRLYJAF-UHFFFAOYSA-N 1 1 454.552 2.827 20 0 JFADMO CCc1nnc(Cn2c(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)nnc2C(C)(C)C)s1 ZINC001292801631 1065559495 /nfs/dbraw/zinc/55/94/95/1065559495.db2.gz AKEOPRYVAAKMOU-UHFFFAOYSA-N 1 1 457.652 2.710 20 0 JFADMO CCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001292804027 1065561883 /nfs/dbraw/zinc/56/18/83/1065561883.db2.gz XGLMKCGSXANEKB-QWFCFKBJSA-N 1 1 463.648 2.944 20 0 JFADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001292810392 1065562858 /nfs/dbraw/zinc/56/28/58/1065562858.db2.gz OLDBOTMFMXLWQA-JOCHJYFZSA-N 1 1 452.958 2.969 20 0 JFADMO CCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292817723 1065566666 /nfs/dbraw/zinc/56/66/66/1065566666.db2.gz UPIOIWVBSWIWOX-XMMPIXPASA-N 1 1 472.659 2.740 20 0 JFADMO C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001292863759 1065578691 /nfs/dbraw/zinc/57/86/91/1065578691.db2.gz BOEUMJKZUHUSAZ-GOSISDBHSA-N 1 1 454.546 2.884 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292875014 1065582078 /nfs/dbraw/zinc/58/20/78/1065582078.db2.gz USLPIVOQRSWONX-SFHVURJKSA-N 1 1 452.607 2.542 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1ccccc1C ZINC001292892391 1065589664 /nfs/dbraw/zinc/58/96/64/1065589664.db2.gz CTKSBHYUTTZFJP-UNMCSNQZSA-N 1 1 454.619 2.607 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892768 1065591414 /nfs/dbraw/zinc/59/14/14/1065591414.db2.gz HZRKWWNRJMDIDF-YZUZCNPQSA-N 1 1 467.662 2.744 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001292899260 1065597454 /nfs/dbraw/zinc/59/74/54/1065597454.db2.gz MFINECQTBRLJMO-MJGOQNOKSA-N 1 1 458.573 2.662 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292925347 1065618403 /nfs/dbraw/zinc/61/84/03/1065618403.db2.gz VAEYBURSHNGUGS-UHFFFAOYSA-N 1 1 472.609 2.623 20 0 JFADMO CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292932625 1065622643 /nfs/dbraw/zinc/62/26/43/1065622643.db2.gz WXSJATYMLIRJMU-HSALFYBXSA-N 1 1 491.681 2.523 20 0 JFADMO Cc1cc(C(F)(F)F)n2nc(C(=O)NC[C@@H](c3cccs3)N3CC[NH+](C)CC3)cc2n1 ZINC001292949635 1065629809 /nfs/dbraw/zinc/62/98/09/1065629809.db2.gz QXVHADLWYDVITF-HNNXBMFYSA-N 1 1 452.506 2.837 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1ccc(O)cc1 ZINC001292951609 1065631370 /nfs/dbraw/zinc/63/13/70/1065631370.db2.gz JMWQSVLLOGLFFL-UHFFFAOYSA-N 1 1 454.619 2.559 20 0 JFADMO CN1CC[NH+](C(C)(C)CNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292955319 1065633878 /nfs/dbraw/zinc/63/38/78/1065633878.db2.gz IIRXUYDCAUAZFF-SILNSSARSA-N 1 1 451.600 2.542 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957490 1065635260 /nfs/dbraw/zinc/63/52/60/1065635260.db2.gz APSHOBIVEULOOO-OAHLLOKOSA-N 1 1 452.372 2.777 20 0 JFADMO CCn1c(SCC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957555 1065635389 /nfs/dbraw/zinc/63/53/89/1065635389.db2.gz CBKQMRNYRZAGMH-INIZCTEOSA-N 1 1 451.040 2.710 20 0 JFADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC001292959317 1065637789 /nfs/dbraw/zinc/63/77/89/1065637789.db2.gz UQSQQORJLQLYTJ-FQEVSTJZSA-N 1 1 458.628 2.515 20 0 JFADMO CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292961063 1065641124 /nfs/dbraw/zinc/64/11/24/1065641124.db2.gz RUIMDNXBDGXUHN-QFIPXVFZSA-N 1 1 470.666 2.513 20 0 JFADMO CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001292961438 1065642908 /nfs/dbraw/zinc/64/29/08/1065642908.db2.gz ZXEINZDEHPLGCH-BGYRXZFFSA-N 1 1 468.646 2.916 20 0 JFADMO COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC001292967653 1065646606 /nfs/dbraw/zinc/64/66/06/1065646606.db2.gz ZTGWUWJTYDXIFZ-DEOSSOPVSA-N 1 1 452.599 2.556 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCC[N@H+](C)CC3)cc2)cc1C ZINC001292968173 1065647361 /nfs/dbraw/zinc/64/73/61/1065647361.db2.gz KMSNWUVRFQIUTO-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC[N@H+]3CCCN(C)CC3)cc2)cc1C ZINC001292968173 1065647369 /nfs/dbraw/zinc/64/73/69/1065647369.db2.gz KMSNWUVRFQIUTO-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCN(C)CC3)cc2)cc1C ZINC001292968173 1065647376 /nfs/dbraw/zinc/64/73/76/1065647376.db2.gz KMSNWUVRFQIUTO-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292978140 1065658873 /nfs/dbraw/zinc/65/88/73/1065658873.db2.gz OYRLPBKUEQITLC-JOCHJYFZSA-N 1 1 468.646 2.785 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292980198 1065663753 /nfs/dbraw/zinc/66/37/53/1065663753.db2.gz MQNTXCINQIYNSN-JOCHJYFZSA-N 1 1 486.640 2.654 20 0 JFADMO CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001293003088 1065687922 /nfs/dbraw/zinc/68/79/22/1065687922.db2.gz WIXSJKMRTVJLOH-UHFFFAOYSA-N 1 1 451.571 2.560 20 0 JFADMO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293024211 1065696969 /nfs/dbraw/zinc/69/69/69/1065696969.db2.gz ZSECVNYCBDEUAY-AABGKKOBSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293024219 1065697051 /nfs/dbraw/zinc/69/70/51/1065697051.db2.gz ZSECVNYCBDEUAY-UFYCRDLUSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293039400 1065707101 /nfs/dbraw/zinc/70/71/01/1065707101.db2.gz ARUIXVUBHFFGGC-NRFANRHFSA-N 1 1 498.676 2.941 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293039444 1065707229 /nfs/dbraw/zinc/70/72/29/1065707229.db2.gz BDVUQPKDBZPBBN-FCHUYYIVSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293039444 1065707245 /nfs/dbraw/zinc/70/72/45/1065707245.db2.gz BDVUQPKDBZPBBN-FCHUYYIVSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293039450 1065707716 /nfs/dbraw/zinc/70/77/16/1065707716.db2.gz BDVUQPKDBZPBBN-YADHBBJMSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293039450 1065707728 /nfs/dbraw/zinc/70/77/28/1065707728.db2.gz BDVUQPKDBZPBBN-YADHBBJMSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001293059866 1065714756 /nfs/dbraw/zinc/71/47/56/1065714756.db2.gz HUTANRVOPQDCHN-SIKLNZKXSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001293059866 1065714770 /nfs/dbraw/zinc/71/47/70/1065714770.db2.gz HUTANRVOPQDCHN-SIKLNZKXSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001293068482 1065720511 /nfs/dbraw/zinc/72/05/11/1065720511.db2.gz QWWFKIRNBLBXTL-JOCHJYFZSA-N 1 1 460.667 2.696 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc2[nH]ccc2c1 ZINC001293068911 1065721832 /nfs/dbraw/zinc/72/18/32/1065721832.db2.gz LWJCSUIQBQEJHX-UHFFFAOYSA-N 1 1 451.619 2.945 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc2[nH]ccc2c1 ZINC001293068911 1065721839 /nfs/dbraw/zinc/72/18/39/1065721839.db2.gz LWJCSUIQBQEJHX-UHFFFAOYSA-N 1 1 451.619 2.945 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001293069175 1065722367 /nfs/dbraw/zinc/72/23/67/1065722367.db2.gz STTMGSHXDYCPGW-UHFFFAOYSA-N 1 1 478.645 2.514 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001293069175 1065722375 /nfs/dbraw/zinc/72/23/75/1065722375.db2.gz STTMGSHXDYCPGW-UHFFFAOYSA-N 1 1 478.645 2.514 20 0 JFADMO C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)[C@@H]1CCSC1 ZINC001293074762 1065727216 /nfs/dbraw/zinc/72/72/16/1065727216.db2.gz OTDMAUIDIXPOMS-PKTZIBPZSA-N 1 1 455.599 2.875 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293083206 1065733691 /nfs/dbraw/zinc/73/36/91/1065733691.db2.gz KEOAYUPOLZUQFP-UNMCSNQZSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293094701 1065744299 /nfs/dbraw/zinc/74/42/99/1065744299.db2.gz NWSYPSURTGUKND-VXKWHMMOSA-N 1 1 473.710 2.922 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001293096546 1065746734 /nfs/dbraw/zinc/74/67/34/1065746734.db2.gz XGXZNEAVXMLQRL-GHTZIAJQSA-N 1 1 496.578 2.995 20 0 JFADMO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293108211 1065754555 /nfs/dbraw/zinc/75/45/55/1065754555.db2.gz FKNLBBCNTNCYSL-UHFFFAOYSA-N 1 1 483.709 2.807 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293121733 1065774113 /nfs/dbraw/zinc/77/41/13/1065774113.db2.gz VVUIJVJMFVVKHR-QFIPXVFZSA-N 1 1 481.689 2.932 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCc1nc(C)c(C)s1 ZINC001293123455 1065776292 /nfs/dbraw/zinc/77/62/92/1065776292.db2.gz HMQWYMUZKXSDOE-FQEVSTJZSA-N 1 1 470.643 2.718 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1CCc1nnc(C)s1 ZINC001293127952 1065779011 /nfs/dbraw/zinc/77/90/11/1065779011.db2.gz SGBSOTYUNHWDEY-UHFFFAOYSA-N 1 1 457.604 2.583 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCn1cc(Br)cn1 ZINC001293128749 1065779544 /nfs/dbraw/zinc/77/95/44/1065779544.db2.gz ZZSBQCKCQNUVTD-UHFFFAOYSA-N 1 1 462.371 2.961 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130282 1065781082 /nfs/dbraw/zinc/78/10/82/1065781082.db2.gz FFZKUXOYSQFLGW-HXUWFJFHSA-N 1 1 454.610 2.897 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(I)cc1 ZINC001293131081 1065782714 /nfs/dbraw/zinc/78/27/14/1065782714.db2.gz PAWOQRBGABPZHZ-GOSISDBHSA-N 1 1 481.382 2.794 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132689 1065785217 /nfs/dbraw/zinc/78/52/17/1065785217.db2.gz YNGSWHJNXUGVGO-UXHICEINSA-N 1 1 454.610 2.897 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132691 1065785629 /nfs/dbraw/zinc/78/56/29/1065785629.db2.gz YNGSWHJNXUGVGO-WOJBJXKFSA-N 1 1 454.610 2.897 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC001293137525 1065787895 /nfs/dbraw/zinc/78/78/95/1065787895.db2.gz PZKQCSFXLYIKOP-DEOSSOPVSA-N 1 1 470.662 2.769 20 0 JFADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001293138790 1065789339 /nfs/dbraw/zinc/78/93/39/1065789339.db2.gz WRUIAXFHMHNSDV-KRWDZBQOSA-N 1 1 456.513 2.772 20 0 JFADMO CCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293161488 1065798548 /nfs/dbraw/zinc/79/85/48/1065798548.db2.gz QFLDLCQPNNAXQT-LJQANCHMSA-N 1 1 450.628 2.835 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184112 1065806145 /nfs/dbraw/zinc/80/61/45/1065806145.db2.gz CCKMZXFCVSTKCV-MOPGFXCFSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc([C@H](C)CC)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184112 1065806156 /nfs/dbraw/zinc/80/61/56/1065806156.db2.gz CCKMZXFCVSTKCV-MOPGFXCFSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001293184771 1065807834 /nfs/dbraw/zinc/80/78/34/1065807834.db2.gz KDKXPLJXAVALFD-PMACEKPBSA-N 1 1 488.681 2.905 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293190680 1065817586 /nfs/dbraw/zinc/81/75/86/1065817586.db2.gz YQPQVTKEPWQYPB-NHCUHLMSSA-N 1 1 488.681 2.662 20 0 JFADMO CCc1noc(C)c1Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001293196921 1065823371 /nfs/dbraw/zinc/82/33/71/1065823371.db2.gz LHVRGIVPGVCXBC-UHFFFAOYSA-N 1 1 480.617 2.628 20 0 JFADMO CCc1noc(C)c1Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001293196921 1065823384 /nfs/dbraw/zinc/82/33/84/1065823384.db2.gz LHVRGIVPGVCXBC-UHFFFAOYSA-N 1 1 480.617 2.628 20 0 JFADMO CCc1noc(C)c1Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001293199358 1065827172 /nfs/dbraw/zinc/82/71/72/1065827172.db2.gz JLZIYGNZVZTTSW-FQEVSTJZSA-N 1 1 453.591 2.718 20 0 JFADMO CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206919 1065833102 /nfs/dbraw/zinc/83/31/02/1065833102.db2.gz OOWSJMOGXUAVDG-VGOFRKELSA-N 1 1 471.650 2.862 20 0 JFADMO CCc1noc(C)c1Cn1c(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206917 1065833142 /nfs/dbraw/zinc/83/31/42/1065833142.db2.gz OOWSJMOGXUAVDG-HTAPYJJXSA-N 1 1 471.650 2.862 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001293208579 1065839940 /nfs/dbraw/zinc/83/99/40/1065839940.db2.gz NGDDBWXWLSEJNX-SFHVURJKSA-N 1 1 476.695 2.673 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001293209148 1065842898 /nfs/dbraw/zinc/84/28/98/1065842898.db2.gz VWHSFCMIWHAHIL-LJQANCHMSA-N 1 1 476.695 2.574 20 0 JFADMO C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214191 1065847100 /nfs/dbraw/zinc/84/71/00/1065847100.db2.gz FALLMMDWHCPLDD-YLJYHZDGSA-N 1 1 458.603 2.503 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H]2C[C@H]21 ZINC001293215114 1065850630 /nfs/dbraw/zinc/85/06/30/1065850630.db2.gz RRVSYRJKFQLWFC-OQEHDIDLSA-N 1 1 470.614 2.549 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293218961 1065864508 /nfs/dbraw/zinc/86/45/08/1065864508.db2.gz SQJHTKVDFICQBD-NQIIRXRSSA-N 1 1 454.619 2.678 20 0 JFADMO CC(C)CNS(=O)(=O)c1cc(C(=O)NCC[NH+]2CCSCC2)c(Cl)cc1Cl ZINC001293219845 1065867613 /nfs/dbraw/zinc/86/76/13/1065867613.db2.gz ODFXUKWSFWHEQI-UHFFFAOYSA-N 1 1 454.445 2.706 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293221105 1065874082 /nfs/dbraw/zinc/87/40/82/1065874082.db2.gz WSPVODZZOQHUCP-VQIMIIECSA-N 1 1 462.545 2.993 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001293226530 1065878744 /nfs/dbraw/zinc/87/87/44/1065878744.db2.gz AUPJHMJVRIWZFB-UXHICEINSA-N 1 1 470.618 2.940 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293227007 1065879933 /nfs/dbraw/zinc/87/99/33/1065879933.db2.gz DOWMLILRQGOGEN-OFNKIYASSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001293227007 1065879947 /nfs/dbraw/zinc/87/99/47/1065879947.db2.gz DOWMLILRQGOGEN-OFNKIYASSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+](CC)C1CC1 ZINC001293229030 1065884095 /nfs/dbraw/zinc/88/40/95/1065884095.db2.gz QNNZUHXTDLLOQE-GOSISDBHSA-N 1 1 491.434 2.915 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cc[nH+]c1C ZINC001293241443 1065900340 /nfs/dbraw/zinc/90/03/40/1065900340.db2.gz CNZYLYJEFIBYEQ-NRFANRHFSA-N 1 1 451.575 2.784 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293243758 1065907126 /nfs/dbraw/zinc/90/71/26/1065907126.db2.gz BEHZHFDYCCXARM-UFYCRDLUSA-N 1 1 489.665 2.797 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293253031 1065917165 /nfs/dbraw/zinc/91/71/65/1065917165.db2.gz SYQKSKMQUGIAGZ-LEWJYISDSA-N 1 1 468.650 2.968 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293257605 1065921605 /nfs/dbraw/zinc/92/16/05/1065921605.db2.gz MSDFPRHCACYJTN-CZTZKLFOSA-N 1 1 475.659 2.820 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001293320384 1065947483 /nfs/dbraw/zinc/94/74/83/1065947483.db2.gz HTQUSKTXINQCDA-MHTWAQMVSA-N 1 1 496.722 2.746 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)[nH+]1 ZINC001293342474 1065956943 /nfs/dbraw/zinc/95/69/43/1065956943.db2.gz STJFDMRWOZEMCM-RTBURBONSA-N 1 1 459.591 2.556 20 0 JFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352628 1065961096 /nfs/dbraw/zinc/96/10/96/1065961096.db2.gz YBFSTDDQJIHYSB-OALUTQOASA-N 1 1 452.640 2.909 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001293364187 1065968410 /nfs/dbraw/zinc/96/84/10/1065968410.db2.gz DFPHUGDWTXDZAL-ZWKOTPCHSA-N 1 1 456.591 2.538 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293364272 1065968917 /nfs/dbraw/zinc/96/89/17/1065968917.db2.gz MZHFQYHQBDRERX-SJLPKXTDSA-N 1 1 492.466 2.978 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001293364435 1065969406 /nfs/dbraw/zinc/96/94/06/1065969406.db2.gz NNDHQBMRBHWVBB-IPMKNSEASA-N 1 1 464.636 2.740 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293365714 1065970813 /nfs/dbraw/zinc/97/08/13/1065970813.db2.gz VZAZNLRFFZENNW-SJORKVTESA-N 1 1 499.479 2.924 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001293365900 1065971225 /nfs/dbraw/zinc/97/12/25/1065971225.db2.gz PHVSNDULNLXFPX-NRFANRHFSA-N 1 1 470.666 2.794 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001293365901 1065971269 /nfs/dbraw/zinc/97/12/69/1065971269.db2.gz PHVSNDULNLXFPX-OAQYLSRUSA-N 1 1 470.666 2.794 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293366623 1065972080 /nfs/dbraw/zinc/97/20/80/1065972080.db2.gz XAQPKOCMHAKSFU-PWRODBHTSA-N 1 1 471.650 2.905 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293371337 1065973844 /nfs/dbraw/zinc/97/38/44/1065973844.db2.gz DYDAJAWBCDGLOQ-JOCHJYFZSA-N 1 1 472.609 2.568 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001293373842 1065979393 /nfs/dbraw/zinc/97/93/93/1065979393.db2.gz RZUFMGXMVOIBJE-IFMALSPDSA-N 1 1 459.683 2.530 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293375096 1065981177 /nfs/dbraw/zinc/98/11/77/1065981177.db2.gz ZYMZNMVIFLEKHO-MIZPHKNDSA-N 1 1 467.680 2.840 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293379842 1065984493 /nfs/dbraw/zinc/98/44/93/1065984493.db2.gz UYJMEPBUMAWCQP-RBUKOAKNSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293380072 1065985017 /nfs/dbraw/zinc/98/50/17/1065985017.db2.gz VRTRJCCBYSEUJJ-SGIRGMQISA-N 1 1 476.666 2.688 20 0 JFADMO CN1CCCC[C@H]1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001293382818 1065985443 /nfs/dbraw/zinc/98/54/43/1065985443.db2.gz HOONQAVHSZDYNL-FQEVSTJZSA-N 1 1 455.416 2.649 20 0 JFADMO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001293386249 1065987140 /nfs/dbraw/zinc/98/71/40/1065987140.db2.gz LOYGWGHBXCGIRF-JTHBVZDNSA-N 1 1 450.583 2.883 20 0 JFADMO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001293386249 1065987148 /nfs/dbraw/zinc/98/71/48/1065987148.db2.gz LOYGWGHBXCGIRF-JTHBVZDNSA-N 1 1 450.583 2.883 20 0 JFADMO CCOc1ccc(-n2c(SCC(=O)N3CC[N@H+](C)[C@H](C)C3)nnc2-c2cccnc2)cc1 ZINC001293396037 1065991184 /nfs/dbraw/zinc/99/11/84/1065991184.db2.gz IWYMEBLDHPADCR-QGZVFWFLSA-N 1 1 452.584 2.983 20 0 JFADMO CCOc1ccc(-n2c(SCC(=O)N3CC[N@@H+](C)[C@H](C)C3)nnc2-c2cccnc2)cc1 ZINC001293396037 1065991196 /nfs/dbraw/zinc/99/11/96/1065991196.db2.gz IWYMEBLDHPADCR-QGZVFWFLSA-N 1 1 452.584 2.983 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)Cn3cc(Br)ccc3=O)CC2)cs1 ZINC001293448280 1066010149 /nfs/dbraw/zinc/01/01/49/1066010149.db2.gz JENXJOIBJVPFHT-UHFFFAOYSA-N 1 1 453.406 2.658 20 0 JFADMO CCC1CCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001293490081 1066025131 /nfs/dbraw/zinc/02/51/31/1066025131.db2.gz XUPRZBYNIJMCLM-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC[N@H+]1CCOC ZINC001293506145 1066029788 /nfs/dbraw/zinc/02/97/88/1066029788.db2.gz BDKLMKBOERZXEQ-RBUKOAKNSA-N 1 1 464.680 2.593 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC[N@H+]1CCOC ZINC001293506702 1066030650 /nfs/dbraw/zinc/03/06/50/1066030650.db2.gz FVHQRXZGVTUOPP-NHCUHLMSSA-N 1 1 476.666 2.845 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)C[C@H]1[NH+]1CCOCC1 ZINC001293507748 1066031739 /nfs/dbraw/zinc/03/17/39/1066031739.db2.gz JJFMXMHJSDGBTM-FXAWDEMLSA-N 1 1 491.036 2.674 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@H+]1CCOC ZINC001293507255 1066031821 /nfs/dbraw/zinc/03/18/21/1066031821.db2.gz AGFWRDCWCNEDIA-SIKLNZKXSA-N 1 1 493.612 2.574 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCOC)C1 ZINC001293508927 1066033010 /nfs/dbraw/zinc/03/30/10/1066033010.db2.gz WVFQOGMQTCNJKW-QRVBRYPASA-N 1 1 450.628 2.863 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC[N@H+]1CCOC ZINC001293509339 1066034094 /nfs/dbraw/zinc/03/40/94/1066034094.db2.gz HZZSVLPHSJLQLV-FQEVSTJZSA-N 1 1 497.575 2.668 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293509629 1066034131 /nfs/dbraw/zinc/03/41/31/1066034131.db2.gz NAHROZYFCWJPRM-QZNHQXDQSA-N 1 1 484.645 2.739 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ncc(C)s2)C[C@@H]1[NH+]1CCOCC1 ZINC001293511702 1066037774 /nfs/dbraw/zinc/03/77/74/1066037774.db2.gz XQTYJZJDHRVRKA-UHOSZYNNSA-N 1 1 475.663 2.532 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ncc(C)s2)C[C@H]1[NH+]1CCOCC1 ZINC001293511699 1066037901 /nfs/dbraw/zinc/03/79/01/1066037901.db2.gz XQTYJZJDHRVRKA-BHIYHBOVSA-N 1 1 475.663 2.532 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CC)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293511748 1066038249 /nfs/dbraw/zinc/03/82/49/1066038249.db2.gz XZLLWNCYPCAGPY-ZCNNSNEGSA-N 1 1 491.681 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293520710 1066042459 /nfs/dbraw/zinc/04/24/59/1066042459.db2.gz ZLVGJRPYOISFDO-TZIWHRDSSA-N 1 1 460.667 2.914 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001293523002 1066044385 /nfs/dbraw/zinc/04/43/85/1066044385.db2.gz HJNRVRJTSRXAKQ-MJGOQNOKSA-N 1 1 489.024 2.795 20 0 JFADMO CC[C@H]1CN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CC[N@H+]1CCOC ZINC001293529317 1066049029 /nfs/dbraw/zinc/04/90/29/1066049029.db2.gz IJBKDYSRSAMVRF-KRWDZBQOSA-N 1 1 452.397 2.953 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001293531083 1066050875 /nfs/dbraw/zinc/05/08/75/1066050875.db2.gz KENUBWZSNZPEFQ-SIKLNZKXSA-N 1 1 471.593 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001293536790 1066054090 /nfs/dbraw/zinc/05/40/90/1066054090.db2.gz FPNQEDPAGYRQOT-QGZVFWFLSA-N 1 1 491.438 2.673 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC[N@H+]1CCOC ZINC001293537524 1066054818 /nfs/dbraw/zinc/05/48/18/1066054818.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)CC[N@@H+]1CCOC ZINC001293537524 1066054825 /nfs/dbraw/zinc/05/48/25/1066054825.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)CC[N@H+]1CCOC ZINC001293537524 1066054829 /nfs/dbraw/zinc/05/48/29/1066054829.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)COC2)CC[N@H+]1CCOC ZINC001293539219 1066057633 /nfs/dbraw/zinc/05/76/33/1066057633.db2.gz INIFQNWSJRJHJK-IBGZPJMESA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539693 1066058113 /nfs/dbraw/zinc/05/81/13/1066058113.db2.gz LFEFKDVGPJLYCR-PZJWPPBQSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539693 1066058120 /nfs/dbraw/zinc/05/81/20/1066058120.db2.gz LFEFKDVGPJLYCR-PZJWPPBQSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539693 1066058128 /nfs/dbraw/zinc/05/81/28/1066058128.db2.gz LFEFKDVGPJLYCR-PZJWPPBQSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001293548876 1066064848 /nfs/dbraw/zinc/06/48/48/1066064848.db2.gz BIQGXYHJANTSPQ-LAUBAEHRSA-N 1 1 464.408 2.698 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293551048 1066066910 /nfs/dbraw/zinc/06/69/10/1066066910.db2.gz DPNAVIYMHAKLAY-SFTDATJTSA-N 1 1 464.010 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293554860 1066069315 /nfs/dbraw/zinc/06/93/15/1066069315.db2.gz VQYXORPHBBFHRW-JTSKRJEESA-N 1 1 484.428 2.950 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001293556503 1066070627 /nfs/dbraw/zinc/07/06/27/1066070627.db2.gz OVHVTQKFIYQUGB-IBGZPJMESA-N 1 1 470.574 2.854 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001293560319 1066074477 /nfs/dbraw/zinc/07/44/77/1066074477.db2.gz JEIJEMKZENBGDH-DNQXCXABSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC[N@H+]1CCOC ZINC001293560319 1066074489 /nfs/dbraw/zinc/07/44/89/1066074489.db2.gz JEIJEMKZENBGDH-DNQXCXABSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293559738 1066074528 /nfs/dbraw/zinc/07/45/28/1066074528.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 1 1 456.635 2.603 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293565279 1066077336 /nfs/dbraw/zinc/07/73/36/1066077336.db2.gz KSZXHIVSIVSFTK-ZHRMCQFGSA-N 1 1 478.037 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@](C)(O)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293565276 1066077431 /nfs/dbraw/zinc/07/74/31/1066077431.db2.gz KSZXHIVSIVSFTK-JLGINSKQSA-N 1 1 478.037 2.933 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293565429 1066077767 /nfs/dbraw/zinc/07/77/67/1066077767.db2.gz MKAQYHLSOQDWKI-RXVVDRJESA-N 1 1 464.010 2.809 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293566125 1066078499 /nfs/dbraw/zinc/07/84/99/1066078499.db2.gz CHRJVIFQOUWUQO-AZUAARDMSA-N 1 1 496.578 2.995 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293566381 1066079340 /nfs/dbraw/zinc/07/93/40/1066079340.db2.gz SMESORLMUSGIBE-FXAWDEMLSA-N 1 1 461.010 2.624 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001293568677 1066081558 /nfs/dbraw/zinc/08/15/58/1066081558.db2.gz QZMJKJPEYLVNES-RBUKOAKNSA-N 1 1 481.567 2.771 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC[N@H+]1CCOC ZINC001293571073 1066082934 /nfs/dbraw/zinc/08/29/34/1066082934.db2.gz JVVDKWXKNYGFII-HUBRWUETSA-N 1 1 482.654 2.814 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293571288 1066083775 /nfs/dbraw/zinc/08/37/75/1066083775.db2.gz JBZWGCPSZTWBMT-PKOBYXMFSA-N 1 1 450.534 2.559 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293572714 1066084353 /nfs/dbraw/zinc/08/43/53/1066084353.db2.gz TVPBVFIYHPIZDH-NZSAHSFTSA-N 1 1 470.540 2.798 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cc(OC)ccc2OC)CC[N@H+]1CCOC ZINC001293573139 1066084873 /nfs/dbraw/zinc/08/48/73/1066084873.db2.gz VEQAZFICBRISDB-NRFANRHFSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293574157 1066085119 /nfs/dbraw/zinc/08/51/19/1066085119.db2.gz ZTESGBIOAJTSSA-ROUUACIJSA-N 1 1 450.678 2.679 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C)c(OC)c2)CC[N@H+]1CCOC ZINC001293576118 1066086516 /nfs/dbraw/zinc/08/65/16/1066086516.db2.gz QUWUTDKDXZRPPU-FQEVSTJZSA-N 1 1 451.575 2.647 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293578478 1066089093 /nfs/dbraw/zinc/08/90/93/1066089093.db2.gz JNWHMRAAHOBJLO-GTJUCTONSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293578478 1066089100 /nfs/dbraw/zinc/08/91/00/1066089100.db2.gz JNWHMRAAHOBJLO-GTJUCTONSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC[N@H+]1CCOC ZINC001293582217 1066091416 /nfs/dbraw/zinc/09/14/16/1066091416.db2.gz IECXLOKFCAKJPF-FPOVZHCZSA-N 1 1 462.639 2.516 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC[N@H+]1CCOC ZINC001293582190 1066091496 /nfs/dbraw/zinc/09/14/96/1066091496.db2.gz HWLVHZOJXCGJPI-LEWJYISDSA-N 1 1 470.618 2.612 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293585520 1066094576 /nfs/dbraw/zinc/09/45/76/1066094576.db2.gz QTZWWILZBNEDOV-TUNNFDKTSA-N 1 1 470.618 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588192 1066096575 /nfs/dbraw/zinc/09/65/75/1066096575.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588192 1066096585 /nfs/dbraw/zinc/09/65/85/1066096585.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588197 1066096662 /nfs/dbraw/zinc/09/66/62/1066096662.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588197 1066096671 /nfs/dbraw/zinc/09/66/71/1066096671.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293592119 1066097942 /nfs/dbraw/zinc/09/79/42/1066097942.db2.gz AZUMYQSKKJICQB-FGTMMUONSA-N 1 1 493.546 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CC[NH+](CC)CC2)CCS1 ZINC001293592901 1066098667 /nfs/dbraw/zinc/09/86/67/1066098667.db2.gz CIQACLOWSZGTKN-NHCUHLMSSA-N 1 1 450.697 2.922 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@H+]1CCOC ZINC001293595462 1066104212 /nfs/dbraw/zinc/10/42/12/1066104212.db2.gz SCIPZVWURIZNLI-FCHUYYIVSA-N 1 1 456.635 2.638 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC[N@H+]1CCOC ZINC001293595754 1066105366 /nfs/dbraw/zinc/10/53/66/1066105366.db2.gz CVXIZYPFPYQECZ-PMACEKPBSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@H+]1CCOC ZINC001293596121 1066106529 /nfs/dbraw/zinc/10/65/29/1066106529.db2.gz QCQOPQIKYZGTGW-OALUTQOASA-N 1 1 476.647 2.558 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001293596862 1066109116 /nfs/dbraw/zinc/10/91/16/1066109116.db2.gz SEJDKOCFXBEWDJ-YADHBBJMSA-N 1 1 457.619 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293598965 1066113168 /nfs/dbraw/zinc/11/31/68/1066113168.db2.gz YKHSUCAFUWNRNP-VAMGGRTRSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293599109 1066113237 /nfs/dbraw/zinc/11/32/37/1066113237.db2.gz AZALCWSYUFSKJS-MOPGFXCFSA-N 1 1 464.655 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293603097 1066119483 /nfs/dbraw/zinc/11/94/83/1066119483.db2.gz SYTHXBLARHDXDZ-ACESQOTJSA-N 1 1 476.710 2.913 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293605014 1066121402 /nfs/dbraw/zinc/12/14/02/1066121402.db2.gz AMDSLYAYHCVYCV-QHCPKHFHSA-N 1 1 470.662 2.909 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001293607194 1066122750 /nfs/dbraw/zinc/12/27/50/1066122750.db2.gz IGCLNDZHQNINIE-ROUUACIJSA-N 1 1 496.582 2.945 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001293607120 1066122760 /nfs/dbraw/zinc/12/27/60/1066122760.db2.gz HKNRMNHHBPLWNQ-GOSISDBHSA-N 1 1 468.444 2.683 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293609692 1066124758 /nfs/dbraw/zinc/12/47/58/1066124758.db2.gz AEILMGOEEYMJBI-NFBKMPQASA-N 1 1 458.626 2.897 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293609654 1066124846 /nfs/dbraw/zinc/12/48/46/1066124846.db2.gz AAWJIEMBPOUQGR-IFMALSPDSA-N 1 1 486.636 2.860 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@H+]1CCOC ZINC001293610045 1066125173 /nfs/dbraw/zinc/12/51/73/1066125173.db2.gz BOJDDGYXWMKDEL-XMMPIXPASA-N 1 1 477.613 2.818 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001293611827 1066127039 /nfs/dbraw/zinc/12/70/39/1066127039.db2.gz INXUTYINDKSKHW-OFVILXPXSA-N 1 1 456.635 2.752 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293612692 1066129591 /nfs/dbraw/zinc/12/95/91/1066129591.db2.gz PPHCFKBOJXRPGS-NFBKMPQASA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001293613450 1066130575 /nfs/dbraw/zinc/13/05/75/1066130575.db2.gz RYIXKDAEOTWSNV-DHLKQENFSA-N 1 1 457.619 2.530 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293613766 1066131569 /nfs/dbraw/zinc/13/15/69/1066131569.db2.gz UWVVYMMFRZSAAA-FQEVSTJZSA-N 1 1 455.632 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293616420 1066132854 /nfs/dbraw/zinc/13/28/54/1066132854.db2.gz IJJRXUBQYNIJLK-WOJBJXKFSA-N 1 1 462.689 2.660 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293616660 1066132876 /nfs/dbraw/zinc/13/28/76/1066132876.db2.gz LXJWCMFDEOQTEJ-FSSWDIPSSA-N 1 1 456.635 2.872 20 0 JFADMO CC[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293625099 1066140576 /nfs/dbraw/zinc/14/05/76/1066140576.db2.gz ACBMPBZKFYRIAH-GOTSBHOMSA-N 1 1 482.673 2.773 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001293629818 1066144332 /nfs/dbraw/zinc/14/43/32/1066144332.db2.gz MLTPTACBXNYOCR-IRLDBZIGSA-N 1 1 454.619 2.926 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293632888 1066147642 /nfs/dbraw/zinc/14/76/42/1066147642.db2.gz XMHHHQMYQTXYLV-GJZUVCINSA-N 1 1 499.660 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(C)c2)CC[N@H+]1CCOC ZINC001293635864 1066152839 /nfs/dbraw/zinc/15/28/39/1066152839.db2.gz QOJSVIYXAALKRQ-QFIPXVFZSA-N 1 1 467.618 2.803 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293643146 1066158162 /nfs/dbraw/zinc/15/81/62/1066158162.db2.gz AXTMVXOIOSJJMD-QZTJIDSGSA-N 1 1 483.535 2.967 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293650726 1066163481 /nfs/dbraw/zinc/16/34/81/1066163481.db2.gz TUPXLJCUYOENNF-QKNQBKEWSA-N 1 1 461.582 2.968 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293652886 1066165188 /nfs/dbraw/zinc/16/51/88/1066165188.db2.gz YXQPDLWDIFXOLX-LFAGZIFBSA-N 1 1 457.619 2.874 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC[N@H+]1CCOC ZINC001293655279 1066167268 /nfs/dbraw/zinc/16/72/68/1066167268.db2.gz YMGUXBGGYFOWEL-LEWJYISDSA-N 1 1 470.618 2.932 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001293658433 1066167488 /nfs/dbraw/zinc/16/74/88/1066167488.db2.gz ILHBGSKOWXIHCR-NNWRFLSQSA-N 1 1 461.582 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC001293660637 1066168300 /nfs/dbraw/zinc/16/83/00/1066168300.db2.gz VXDBZPUIEKWFNY-KRQRVDPASA-N 1 1 479.666 2.753 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293660643 1066168614 /nfs/dbraw/zinc/16/86/14/1066168614.db2.gz VXDBZPUIEKWFNY-ZKPZVSKHSA-N 1 1 479.666 2.753 20 0 JFADMO CC/C=C\Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CCOCC)CC1 ZINC001293668859 1066170865 /nfs/dbraw/zinc/17/08/65/1066170865.db2.gz AFPNUNBOIIBNHV-SREVYHEPSA-N 1 1 475.663 2.671 20 0 JFADMO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293683466 1066173975 /nfs/dbraw/zinc/17/39/75/1066173975.db2.gz QIDATRZUYROAPC-NGXITPROSA-N 1 1 468.602 2.671 20 0 JFADMO CC/C=C/Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001293694605 1066176100 /nfs/dbraw/zinc/17/61/00/1066176100.db2.gz MPGAOIQIYXFUQB-JXMROGBWSA-N 1 1 492.628 2.941 20 0 JFADMO CC/C=C/Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001293694605 1066176103 /nfs/dbraw/zinc/17/61/03/1066176103.db2.gz MPGAOIQIYXFUQB-JXMROGBWSA-N 1 1 492.628 2.941 20 0 JFADMO CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723390 1066183631 /nfs/dbraw/zinc/18/36/31/1066183631.db2.gz OHPCUJDDQSGVBP-QHCPKHFHSA-N 1 1 454.619 2.900 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001293735328 1066192806 /nfs/dbraw/zinc/19/28/06/1066192806.db2.gz CMKYERFHVMEDPH-JOCHJYFZSA-N 1 1 481.645 2.531 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001293744105 1066212212 /nfs/dbraw/zinc/21/22/12/1066212212.db2.gz VXTWBDOUHLKNED-FGZHOGPDSA-N 1 1 497.688 2.865 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001293744106 1066212598 /nfs/dbraw/zinc/21/25/98/1066212598.db2.gz VXTWBDOUHLKNED-VXKWHMMOSA-N 1 1 497.688 2.865 20 0 JFADMO C[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC001293745381 1066215209 /nfs/dbraw/zinc/21/52/09/1066215209.db2.gz PGHOOIDWYSTOOM-LKFCYVNXSA-N 1 1 456.155 2.962 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293748340 1066218590 /nfs/dbraw/zinc/21/85/90/1066218590.db2.gz GXIRDNUGHPMIIJ-VWPQPMDRSA-N 1 1 470.666 2.932 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001293750014 1066223675 /nfs/dbraw/zinc/22/36/75/1066223675.db2.gz XOLCJCISTGZXGN-HXUWFJFHSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001293750014 1066223685 /nfs/dbraw/zinc/22/36/85/1066223685.db2.gz XOLCJCISTGZXGN-HXUWFJFHSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001293750013 1066223812 /nfs/dbraw/zinc/22/38/12/1066223812.db2.gz XOLCJCISTGZXGN-FQEVSTJZSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001293750013 1066223824 /nfs/dbraw/zinc/22/38/24/1066223824.db2.gz XOLCJCISTGZXGN-FQEVSTJZSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001293750657 1066225558 /nfs/dbraw/zinc/22/55/58/1066225558.db2.gz MBTHMWCIIGVOID-CIAFKFPVSA-N 1 1 476.666 2.557 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001293773682 1066263814 /nfs/dbraw/zinc/26/38/14/1066263814.db2.gz JWLMPDVISPLZEK-FQEVSTJZSA-N 1 1 453.635 2.881 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001293774913 1066267240 /nfs/dbraw/zinc/26/72/40/1066267240.db2.gz PKFLNXCSYTXJGP-UHFFFAOYSA-N 1 1 460.648 2.538 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001293787521 1066292729 /nfs/dbraw/zinc/29/27/29/1066292729.db2.gz COPUETIKIFWAJL-PCCBWWKXSA-N 1 1 473.666 2.626 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001293787956 1066294096 /nfs/dbraw/zinc/29/40/96/1066294096.db2.gz FFOQTGCAAGVXGV-HKBOAZHASA-N 1 1 487.693 2.872 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001293795368 1066303246 /nfs/dbraw/zinc/30/32/46/1066303246.db2.gz UGDMCEUHZMPWDN-GOTSBHOMSA-N 1 1 468.646 2.874 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001293795368 1066303261 /nfs/dbraw/zinc/30/32/61/1066303261.db2.gz UGDMCEUHZMPWDN-GOTSBHOMSA-N 1 1 468.646 2.874 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293804351 1066313810 /nfs/dbraw/zinc/31/38/10/1066313810.db2.gz BIOIRQNHERGLEL-XXBNENTESA-N 1 1 462.042 2.761 20 0 JFADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@H+]1C ZINC001293806268 1066315751 /nfs/dbraw/zinc/31/57/51/1066315751.db2.gz JUWBZIPNRCFOLS-RHSMWYFYSA-N 1 1 457.556 2.624 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293810269 1066320729 /nfs/dbraw/zinc/32/07/29/1066320729.db2.gz USYZIKPHSDVDHS-AREMUKBSSA-N 1 1 497.644 2.959 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293810270 1066320774 /nfs/dbraw/zinc/32/07/74/1066320774.db2.gz USYZIKPHSDVDHS-SANMLTNESA-N 1 1 497.644 2.959 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001293811287 1066321622 /nfs/dbraw/zinc/32/16/22/1066321622.db2.gz ACGFDDCPBTZVQB-SEIBCYHCSA-N 1 1 468.646 2.793 20 0 JFADMO CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293821783 1066329364 /nfs/dbraw/zinc/32/93/64/1066329364.db2.gz VODUJEIXLIPKRN-HYBUGGRVSA-N 1 1 458.582 2.632 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822513 1066330278 /nfs/dbraw/zinc/33/02/78/1066330278.db2.gz VALQIDBXOKXZLE-CNPGNWEMSA-N 1 1 483.661 2.579 20 0 JFADMO CCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001293824588 1066333422 /nfs/dbraw/zinc/33/34/22/1066333422.db2.gz XSIFVFPXSCEMRK-NBGIEHNGSA-N 1 1 473.618 2.673 20 0 JFADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 ZINC001293855909 1066363158 /nfs/dbraw/zinc/36/31/58/1066363158.db2.gz TYSLQGTWFVAHJY-UHFFFAOYSA-N 1 1 459.534 2.989 20 0 JFADMO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC001293859791 1066367343 /nfs/dbraw/zinc/36/73/43/1066367343.db2.gz HRZDSTVMNHDJHT-UHFFFAOYSA-N 1 1 454.535 2.507 20 0 JFADMO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC001293859791 1066367359 /nfs/dbraw/zinc/36/73/59/1066367359.db2.gz HRZDSTVMNHDJHT-UHFFFAOYSA-N 1 1 454.535 2.507 20 0 JFADMO COc1cccc(-c2cc(C(=O)N3CCC(CC(=O)N4CCC([NH+](C)C)CC4)CC3)n[nH]2)c1 ZINC001293859803 1066367431 /nfs/dbraw/zinc/36/74/31/1066367431.db2.gz HXKPNGFGUZZGCU-UHFFFAOYSA-N 1 1 453.587 2.880 20 0 JFADMO O=C(CCc1ccc2ccccc2c1O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293860666 1066369008 /nfs/dbraw/zinc/36/90/08/1066369008.db2.gz NRZMROGJDVJVOQ-UHFFFAOYSA-N 1 1 453.583 2.555 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001293865421 1066375801 /nfs/dbraw/zinc/37/58/01/1066375801.db2.gz UEMHULIMDZUVMV-QNWVGRARSA-N 1 1 495.672 2.882 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293866130 1066376574 /nfs/dbraw/zinc/37/65/74/1066376574.db2.gz XBEIRFCXDUVNJS-RZUBCFFCSA-N 1 1 476.666 2.762 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001293868644 1066381426 /nfs/dbraw/zinc/38/14/26/1066381426.db2.gz PKWQFRZHJQMGBL-NHCUHLMSSA-N 1 1 483.661 2.506 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001293882876 1066388359 /nfs/dbraw/zinc/38/83/59/1066388359.db2.gz KLEVCPOMYHFHJH-CJAUYULYSA-N 1 1 467.618 2.614 20 0 JFADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC001293891605 1066392947 /nfs/dbraw/zinc/39/29/47/1066392947.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 1 1 452.603 2.508 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293911654 1066397816 /nfs/dbraw/zinc/39/78/16/1066397816.db2.gz VRPCSDNIOIOBQX-HXUWFJFHSA-N 1 1 451.623 2.911 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293911653 1066398067 /nfs/dbraw/zinc/39/80/67/1066398067.db2.gz VRPCSDNIOIOBQX-FQEVSTJZSA-N 1 1 451.623 2.911 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001293924338 1066405006 /nfs/dbraw/zinc/40/50/06/1066405006.db2.gz PETZQASPWMLKBZ-UFYCRDLUSA-N 1 1 484.711 2.746 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001293924336 1066405017 /nfs/dbraw/zinc/40/50/17/1066405017.db2.gz PETZQASPWMLKBZ-HSALFYBXSA-N 1 1 484.711 2.746 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001293930570 1066408943 /nfs/dbraw/zinc/40/89/43/1066408943.db2.gz CTFXRFYFLALXSC-ACRUOGEOSA-N 1 1 475.682 2.812 20 0 JFADMO C[C@H](CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C[NH+]1CCOCC1 ZINC001293932142 1066411545 /nfs/dbraw/zinc/41/15/45/1066411545.db2.gz GLRLXLPITSYHOA-LJQANCHMSA-N 1 1 451.567 3.000 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCOCC2)C1 ZINC001293935840 1066417726 /nfs/dbraw/zinc/41/77/26/1066417726.db2.gz GIZQVFMHFSRSDL-IRLDBZIGSA-N 1 1 469.634 2.584 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293943811 1066432761 /nfs/dbraw/zinc/43/27/61/1066432761.db2.gz DMPKSLCWKOVWEN-PWRODBHTSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001293991160 1066494491 /nfs/dbraw/zinc/49/44/91/1066494491.db2.gz HDRYBLJFFSTGAU-SFHLNBCPSA-N 1 1 461.582 2.968 20 0 JFADMO CCC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001293994923 1066496826 /nfs/dbraw/zinc/49/68/26/1066496826.db2.gz SBBAMVUSCZDQJD-RTBURBONSA-N 1 1 461.632 2.915 20 0 JFADMO CCC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001293994923 1066496830 /nfs/dbraw/zinc/49/68/30/1066496830.db2.gz SBBAMVUSCZDQJD-RTBURBONSA-N 1 1 461.632 2.915 20 0 JFADMO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC001294016170 1066510449 /nfs/dbraw/zinc/51/04/49/1066510449.db2.gz NXYRRLHMISOSDF-GOSISDBHSA-N 1 1 452.669 2.923 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001294054272 1066525406 /nfs/dbraw/zinc/52/54/06/1066525406.db2.gz FVFWLROUAKTHCF-HXUWFJFHSA-N 1 1 488.608 2.647 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC[N@H+]1CCOC ZINC001294073115 1066542047 /nfs/dbraw/zinc/54/20/47/1066542047.db2.gz KBHOWXSEDPDZGP-JOCHJYFZSA-N 1 1 477.613 2.685 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC[N@H+]1CCOC ZINC001294075508 1066544634 /nfs/dbraw/zinc/54/46/34/1066544634.db2.gz ADWOLNQBLPTJHJ-VWPQPMDRSA-N 1 1 457.623 2.733 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@H+]1CCOC ZINC001294077879 1066547416 /nfs/dbraw/zinc/54/74/16/1066547416.db2.gz TVMXGLCEBIBGAT-KNQAVFIVSA-N 1 1 465.602 2.774 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CC[N@H+]1CCOC ZINC001294080901 1066549069 /nfs/dbraw/zinc/54/90/69/1066549069.db2.gz GRWKEYSSGSESRS-NRFANRHFSA-N 1 1 452.607 2.562 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294081711 1066549630 /nfs/dbraw/zinc/54/96/30/1066549630.db2.gz NWFCOAAAQMTROY-QZTJIDSGSA-N 1 1 497.566 2.771 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001294081710 1066549667 /nfs/dbraw/zinc/54/96/67/1066549667.db2.gz NWFCOAAAQMTROY-MSOLQXFVSA-N 1 1 497.566 2.771 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294081922 1066550309 /nfs/dbraw/zinc/55/03/09/1066550309.db2.gz IUOBVRLKJDUFSB-KSZLIROESA-N 1 1 454.566 2.602 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001294086056 1066556883 /nfs/dbraw/zinc/55/68/83/1066556883.db2.gz WEIXIRNHFSNATO-ROUUACIJSA-N 1 1 495.550 2.628 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001294089493 1066560491 /nfs/dbraw/zinc/56/04/91/1066560491.db2.gz BLFAFOBCGYRIOB-AVRWGWEMSA-N 1 1 490.599 2.563 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001294090905 1066561412 /nfs/dbraw/zinc/56/14/12/1066561412.db2.gz IXKKXXMADGBJPL-HSZRJFAPSA-N 1 1 471.646 2.656 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001294090918 1066561842 /nfs/dbraw/zinc/56/18/42/1066561842.db2.gz IZERHQKARPSISV-YADHBBJMSA-N 1 1 478.037 2.875 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294092218 1066563062 /nfs/dbraw/zinc/56/30/62/1066563062.db2.gz UVZDTXUJGGLALM-MHECFPHRSA-N 1 1 495.640 2.952 20 0 JFADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)n1 ZINC001164664866 719356784 /nfs/dbraw/zinc/35/67/84/719356784.db2.gz QQSABECJKJLUND-HXUWFJFHSA-N 1 1 467.952 2.963 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663722 719356847 /nfs/dbraw/zinc/35/68/47/719356847.db2.gz GXAKMCVVSYYLHP-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164665871 719356965 /nfs/dbraw/zinc/35/69/65/719356965.db2.gz ZIZIHJRQNVJGHQ-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@@H](F)Oc4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663861 719356976 /nfs/dbraw/zinc/35/69/76/719356976.db2.gz HUNAVHRUEXVRIX-TZIWHRDSSA-N 1 1 450.946 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@H](F)Oc4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164664250 719357009 /nfs/dbraw/zinc/35/70/09/719357009.db2.gz NEELAJYWLKBBEK-PZJWPPBQSA-N 1 1 450.946 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@H](F)Oc4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663859 719357015 /nfs/dbraw/zinc/35/70/15/719357015.db2.gz HUNAVHRUEXVRIX-PZJWPPBQSA-N 1 1 450.946 2.842 20 0 JFADMO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4cc(OC5CC[NH+](C)CC5)ccn4)C3)C2)n1 ZINC001164664913 719357635 /nfs/dbraw/zinc/35/76/35/719357635.db2.gz SAWSQMFSOOVWPH-SANMLTNESA-N 1 1 481.645 2.534 20 0 JFADMO C[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@@H]21 ZINC001164667854 719438683 /nfs/dbraw/zinc/43/86/83/719438683.db2.gz HWNVXOOPPLUORQ-LOSJGSFVSA-N 1 1 478.618 2.992 20 0 JFADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164677445 719550278 /nfs/dbraw/zinc/55/02/78/719550278.db2.gz NCQVQXKRSBWIRF-JOCHJYFZSA-N 1 1 450.583 2.530 20 0 JFADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164684438 719689605 /nfs/dbraw/zinc/68/96/05/719689605.db2.gz IKKINVZTNQTSRJ-FQEVSTJZSA-N 1 1 487.608 2.559 20 0 JFADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164684438 719689608 /nfs/dbraw/zinc/68/96/08/719689608.db2.gz IKKINVZTNQTSRJ-FQEVSTJZSA-N 1 1 487.608 2.559 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164683168 719704817 /nfs/dbraw/zinc/70/48/17/719704817.db2.gz IVPPABSJCCZIQM-UHFFFAOYSA-N 1 1 469.033 2.869 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncccc1C(=O)NCCSCc1ccco1)CC2 ZINC001164686506 719727848 /nfs/dbraw/zinc/72/78/48/719727848.db2.gz OVCORJFNFFBKJR-UHFFFAOYSA-N 1 1 471.627 2.519 20 0 JFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164703389 719857427 /nfs/dbraw/zinc/85/74/27/719857427.db2.gz PQZMHVBCCSTSHL-CPJSRVTESA-N 1 1 467.545 2.851 20 0 JFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C(=O)OCC ZINC001164695341 719889924 /nfs/dbraw/zinc/88/99/24/719889924.db2.gz OPJSDLJSUMSTMO-UHFFFAOYSA-N 1 1 474.583 2.763 20 0 JFADMO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1C(=O)OCC ZINC001164695341 719889925 /nfs/dbraw/zinc/88/99/25/719889925.db2.gz OPJSDLJSUMSTMO-UHFFFAOYSA-N 1 1 474.583 2.763 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164696204 719895450 /nfs/dbraw/zinc/89/54/50/719895450.db2.gz BYZBAZVNGGZVFG-UHFFFAOYSA-N 1 1 471.627 2.799 20 0 JFADMO O=S(=O)(c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1)N1CCCC1 ZINC001164696708 719898458 /nfs/dbraw/zinc/89/84/58/719898458.db2.gz HQRWEXBLEBMLQF-UHFFFAOYSA-N 1 1 462.641 2.799 20 0 JFADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164713141 720053578 /nfs/dbraw/zinc/05/35/78/720053578.db2.gz MPBZNCCUDACOGN-SCWSEQNSSA-N 1 1 456.978 2.535 20 0 JFADMO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)[C@H]2CCCO[C@@H]12 ZINC001164710724 720061740 /nfs/dbraw/zinc/06/17/40/720061740.db2.gz GFZKCIBPDWVBQH-GUGJDKNPSA-N 1 1 460.619 2.653 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164712955 720097493 /nfs/dbraw/zinc/09/74/93/720097493.db2.gz ZBQICPYBFSADJU-XMMPIXPASA-N 1 1 451.615 2.816 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164710684 720100826 /nfs/dbraw/zinc/10/08/26/720100826.db2.gz LBSXLSSDMIAUFE-SFHVURJKSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164710684 720100828 /nfs/dbraw/zinc/10/08/28/720100828.db2.gz LBSXLSSDMIAUFE-SFHVURJKSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164710684 720100830 /nfs/dbraw/zinc/10/08/30/720100830.db2.gz LBSXLSSDMIAUFE-SFHVURJKSA-N 1 1 450.543 2.599 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164714611 720128258 /nfs/dbraw/zinc/12/82/58/720128258.db2.gz XPJWMRHLFJPHSB-JOCHJYFZSA-N 1 1 485.654 2.769 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164714097 720133070 /nfs/dbraw/zinc/13/30/70/720133070.db2.gz WEWWNRNRRSORNU-NRFANRHFSA-N 1 1 456.587 2.768 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164714004 720141474 /nfs/dbraw/zinc/14/14/74/720141474.db2.gz UYGHBKXNFSPWSA-OAQYLSRUSA-N 1 1 473.643 2.671 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164713583 720149070 /nfs/dbraw/zinc/14/90/70/720149070.db2.gz SHLPRHDETNKJJC-IBGZPJMESA-N 1 1 457.600 2.644 20 0 JFADMO CN(C)C(=O)N1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164711891 720160860 /nfs/dbraw/zinc/16/08/60/720160860.db2.gz DHZBESPAHWLLSV-VWLOTQADSA-N 1 1 489.064 2.763 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820337 720170276 /nfs/dbraw/zinc/17/02/76/720170276.db2.gz ZZEFLJQAIIDXDN-HOFKKMOUSA-N 1 1 462.642 2.988 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820338 720170922 /nfs/dbraw/zinc/17/09/22/720170922.db2.gz ZZEFLJQAIIDXDN-KCWPFWIISA-N 1 1 462.642 2.988 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817816 720174481 /nfs/dbraw/zinc/17/44/81/720174481.db2.gz QIMKNWHIBUPJPY-XXBNENTESA-N 1 1 450.649 2.733 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820176 720184094 /nfs/dbraw/zinc/18/40/94/720184094.db2.gz ZSDSTVKTMQTGLF-YIXXDRMTSA-N 1 1 462.642 2.988 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814082 720218417 /nfs/dbraw/zinc/21/84/17/720218417.db2.gz SHKGESJWBYRZKP-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814726 720223864 /nfs/dbraw/zinc/22/38/64/720223864.db2.gz WXFZVTGMDYFEBZ-UHFFFAOYSA-N 1 1 470.961 2.877 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ncn3Cc1ccccc1F)CCC2 ZINC001164811917 720228841 /nfs/dbraw/zinc/22/88/41/720228841.db2.gz AOFSBQCNOAYRRS-UHFFFAOYSA-N 1 1 476.560 2.821 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@](F)(COc1cncc(Cl)n1)C(F)F)CCC2 ZINC001164812828 720239587 /nfs/dbraw/zinc/23/95/87/720239587.db2.gz IVBAUQFLAVFYNB-HXUWFJFHSA-N 1 1 474.915 2.743 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001164723326 720275002 /nfs/dbraw/zinc/27/50/02/720275002.db2.gz WTYWGLUMBOJQCO-XMMPIXPASA-N 1 1 458.990 2.979 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001164723326 720275026 /nfs/dbraw/zinc/27/50/26/720275026.db2.gz WTYWGLUMBOJQCO-XMMPIXPASA-N 1 1 458.990 2.979 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164722899 720283532 /nfs/dbraw/zinc/28/35/32/720283532.db2.gz TXBXTHGETCPXTQ-MHZLTWQESA-N 1 1 459.594 2.885 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cc4ccccc4)c4ccccc43)C2)C1 ZINC001164722899 720283536 /nfs/dbraw/zinc/28/35/36/720283536.db2.gz TXBXTHGETCPXTQ-MHZLTWQESA-N 1 1 459.594 2.885 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sc5c(c43)CCCCC5)C2)C1 ZINC001164720740 720287084 /nfs/dbraw/zinc/28/70/84/720287084.db2.gz CSXIJAZJGDGHFM-DEOSSOPVSA-N 1 1 457.644 2.933 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sc5c(c43)CCCCC5)C2)C1 ZINC001164720740 720287088 /nfs/dbraw/zinc/28/70/88/720287088.db2.gz CSXIJAZJGDGHFM-DEOSSOPVSA-N 1 1 457.644 2.933 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724333 720362820 /nfs/dbraw/zinc/36/28/20/720362820.db2.gz JROPQNDERSRKPI-YADHBBJMSA-N 1 1 460.563 2.917 20 0 JFADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1[nH+]cnc3c1ccn3Cc1ccccc1)C2 ZINC001164829200 720458030 /nfs/dbraw/zinc/45/80/30/720458030.db2.gz DKPHGOFBKUACMO-QFIPXVFZSA-N 1 1 487.608 2.666 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)nc1 ZINC001164834452 720479625 /nfs/dbraw/zinc/47/96/25/720479625.db2.gz SFOVYCUELQKHOO-LADGPHEKSA-N 1 1 468.646 2.815 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834451 720480018 /nfs/dbraw/zinc/48/00/18/720480018.db2.gz SFOVYCUELQKHOO-ISKFKSNPSA-N 1 1 468.646 2.815 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836673 720586494 /nfs/dbraw/zinc/58/64/94/720586494.db2.gz GHTNUWMCYWROQA-CMKODMSKSA-N 1 1 451.575 2.719 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164841325 720593068 /nfs/dbraw/zinc/59/30/68/720593068.db2.gz RVNWTWSSACDXJN-LZLYRXPVSA-N 1 1 471.993 2.983 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164836936 720649585 /nfs/dbraw/zinc/64/95/85/720649585.db2.gz AHXJWRHQFXXRPY-LCKKVJLRSA-N 1 1 452.603 2.719 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164737107 720662172 /nfs/dbraw/zinc/66/21/72/720662172.db2.gz DJTCXQLFEGHPMB-OALUTQOASA-N 1 1 463.973 2.778 20 0 JFADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740077 720662842 /nfs/dbraw/zinc/66/28/42/720662842.db2.gz PNTXAALTZSPVTC-ZWKOTPCHSA-N 1 1 462.945 2.660 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164845429 720679300 /nfs/dbraw/zinc/67/93/00/720679300.db2.gz ZOCNYFFWIBCLHM-OAQYLSRUSA-N 1 1 464.614 2.541 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743876 720688051 /nfs/dbraw/zinc/68/80/51/720688051.db2.gz YNUUADSMEHUSIY-CABCVRRESA-N 1 1 454.918 2.592 20 0 JFADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737218 720728528 /nfs/dbraw/zinc/72/85/28/720728528.db2.gz BBSNCCMSHJCLOD-CABCVRRESA-N 1 1 488.976 2.998 20 0 JFADMO CC[C@@H]1N(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CCC[C@@]12CCC(=O)N2 ZINC001164847473 720753027 /nfs/dbraw/zinc/75/30/27/720753027.db2.gz MOOFOSGANXKHIO-RKVCDUFXSA-N 1 1 471.646 2.908 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741861 720754349 /nfs/dbraw/zinc/75/43/49/720754349.db2.gz NFSJDYMXDMQGHX-HZPDHXFCSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741861 720754357 /nfs/dbraw/zinc/75/43/57/720754357.db2.gz NFSJDYMXDMQGHX-HZPDHXFCSA-N 1 1 459.888 2.869 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164746433 720757527 /nfs/dbraw/zinc/75/75/27/720757527.db2.gz YBQSAGXNSNFXKR-HOTGVXAUSA-N 1 1 454.556 2.617 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164746432 720758499 /nfs/dbraw/zinc/75/84/99/720758499.db2.gz YBQSAGXNSNFXKR-CVEARBPZSA-N 1 1 454.556 2.617 20 0 JFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748201 720807222 /nfs/dbraw/zinc/80/72/22/720807222.db2.gz QAPDVADEJINJKW-RYUDHWBXSA-N 1 1 453.906 2.503 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746040 720816752 /nfs/dbraw/zinc/81/67/52/720816752.db2.gz XRPCNTZXBOMDLL-YESZJQIVSA-N 1 1 466.968 2.712 20 0 JFADMO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164743821 720816837 /nfs/dbraw/zinc/81/68/37/720816837.db2.gz SPOVNURXPBOZOC-CEXWTWQISA-N 1 1 454.579 2.795 20 0 JFADMO COC[C@]12CCCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164850387 720827107 /nfs/dbraw/zinc/82/71/07/720827107.db2.gz SVJRFZMZJWCMPS-BORKOYIJSA-N 1 1 474.646 2.902 20 0 JFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)no1 ZINC001164740604 720845607 /nfs/dbraw/zinc/84/56/07/720845607.db2.gz DCEOQNFAEGODEU-SFHLNBCPSA-N 1 1 462.558 2.601 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741873 720848367 /nfs/dbraw/zinc/84/83/67/720848367.db2.gz FTRKCDQMFOPHDJ-GIWBLDEGSA-N 1 1 473.581 2.886 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164746629 720849805 /nfs/dbraw/zinc/84/98/05/720849805.db2.gz PRHPGXKWXGJEGP-TUNNFDKTSA-N 1 1 487.674 2.519 20 0 JFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751079 720853238 /nfs/dbraw/zinc/85/32/38/720853238.db2.gz PYZZWOFOBMWQOW-LGPLSSKUSA-N 1 1 499.667 2.774 20 0 JFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752567 720853680 /nfs/dbraw/zinc/85/36/80/720853680.db2.gz SVWYJQHLQCWTKV-PQNGQFLHSA-N 1 1 456.598 2.998 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752573 720853710 /nfs/dbraw/zinc/85/37/10/720853710.db2.gz SVWYJQHLQCWTKV-ZFGGDYGUSA-N 1 1 456.598 2.998 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164753605 720856792 /nfs/dbraw/zinc/85/67/92/720856792.db2.gz YPDCLXOJXMTKPD-YESZJQIVSA-N 1 1 466.968 2.712 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1N1CCOCC1 ZINC001164746979 720861736 /nfs/dbraw/zinc/86/17/36/720861736.db2.gz HJGXPIIZCUMQKK-OKZBNKHCSA-N 1 1 493.443 2.591 20 0 JFADMO CCOC(=O)c1cncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750799 720868263 /nfs/dbraw/zinc/86/82/63/720868263.db2.gz JWCSEHOCJFNMDF-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164755459 720874718 /nfs/dbraw/zinc/87/47/18/720874718.db2.gz XHYYAMSWQUUPFT-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755830 720875100 /nfs/dbraw/zinc/87/51/00/720875100.db2.gz ZBKBARBIOVOIGB-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC[C@H]2C1 ZINC001164864288 720879827 /nfs/dbraw/zinc/87/98/27/720879827.db2.gz VJCOTBBCMNSNPL-DOTOQJQBSA-N 1 1 453.921 2.910 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC[C@@H]2C1 ZINC001164864293 720880030 /nfs/dbraw/zinc/88/00/30/720880030.db2.gz VJCOTBBCMNSNPL-NVXWUHKLSA-N 1 1 453.921 2.910 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749940 720881588 /nfs/dbraw/zinc/88/15/88/720881588.db2.gz IEDIFCCWXFJMEZ-NBGIEHNGSA-N 1 1 498.653 2.920 20 0 JFADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1N ZINC001164755218 720881917 /nfs/dbraw/zinc/88/19/17/720881917.db2.gz VDHDQZOLAQFKDC-CJFMBICVSA-N 1 1 451.571 2.601 20 0 JFADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164758179 720881934 /nfs/dbraw/zinc/88/19/34/720881934.db2.gz XKMYAQOUULMLBM-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164758182 720882226 /nfs/dbraw/zinc/88/22/26/720882226.db2.gz XKMYAQOUULMLBM-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164756021 720882702 /nfs/dbraw/zinc/88/27/02/720882702.db2.gz OCNXPTJFVPQAGH-NLFFAJNJSA-N 1 1 496.637 2.512 20 0 JFADMO CCOC(=O)c1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758189 720889873 /nfs/dbraw/zinc/88/98/73/720889873.db2.gz XNIWAXPYUPPANO-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753369 720896513 /nfs/dbraw/zinc/89/65/13/720896513.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 1 1 476.669 2.984 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753369 720896517 /nfs/dbraw/zinc/89/65/17/720896517.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 1 1 476.669 2.984 20 0 JFADMO CCNS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164753234 720910062 /nfs/dbraw/zinc/91/00/62/720910062.db2.gz RACHCALWLKGQCY-WIOPSUGQSA-N 1 1 485.654 2.530 20 0 JFADMO c1ncn(Cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)n1 ZINC001164748517 720912552 /nfs/dbraw/zinc/91/25/52/720912552.db2.gz GNNMUVTXXYMOMA-RSXGOPAZSA-N 1 1 459.598 2.872 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750681 720912652 /nfs/dbraw/zinc/91/26/52/720912652.db2.gz JZULFLFZTGUYLM-ATIYNZHBSA-N 1 1 497.665 2.672 20 0 JFADMO COCCOc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164750736 720914148 /nfs/dbraw/zinc/91/41/48/720914148.db2.gz KDQQKDSWRDHKSF-RCZVLFRGSA-N 1 1 453.587 2.652 20 0 JFADMO O=c1ccccn1-c1nccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755167 720917353 /nfs/dbraw/zinc/91/73/53/720917353.db2.gz ZGPYAEYFJWGILL-WNCULLNHSA-N 1 1 472.593 2.778 20 0 JFADMO CCOC(=O)c1nccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752272 720917920 /nfs/dbraw/zinc/91/79/20/720917920.db2.gz NUNGALZRGFDMLJ-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO COC(=O)CSc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750058 720920167 /nfs/dbraw/zinc/92/01/67/720920167.db2.gz IWEIGWSISWOTGU-SQJMNOBHSA-N 1 1 483.638 2.892 20 0 JFADMO NC(=S)Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754248 720927539 /nfs/dbraw/zinc/92/75/39/720927539.db2.gz VHXHGYIFPCZYCM-RDPSFJRHSA-N 1 1 452.628 2.887 20 0 JFADMO CNC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754679 720936637 /nfs/dbraw/zinc/93/66/37/720936637.db2.gz XGNHKMWOQACPJX-NTKDMRAZSA-N 1 1 471.005 2.640 20 0 JFADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164757363 721016896 /nfs/dbraw/zinc/01/68/96/721016896.db2.gz DMRUMLNGBFTKTM-CTUHWIOQSA-N 1 1 465.598 2.592 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868681 721069722 /nfs/dbraw/zinc/06/97/22/721069722.db2.gz PKNJNTKXDGTFTK-NHCUHLMSSA-N 1 1 490.589 2.543 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868680 721070394 /nfs/dbraw/zinc/07/03/94/721070394.db2.gz PKNJNTKXDGTFTK-LEWJYISDSA-N 1 1 490.589 2.543 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164871438 721071419 /nfs/dbraw/zinc/07/14/19/721071419.db2.gz YVMQJRGWAWLRDL-SJORKVTESA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764462 721075538 /nfs/dbraw/zinc/07/55/38/721075538.db2.gz HUAJXEOUMRKIOL-MOPGFXCFSA-N 1 1 459.554 2.751 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865681 721081370 /nfs/dbraw/zinc/08/13/70/721081370.db2.gz OGAYQWDFYHZFKS-JKSUJKDBSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164863553 721083128 /nfs/dbraw/zinc/08/31/28/721083128.db2.gz CVGIEMVRMWJQPC-CVEARBPZSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164863557 721083315 /nfs/dbraw/zinc/08/33/15/721083315.db2.gz CVGIEMVRMWJQPC-HZPDHXFCSA-N 1 1 452.889 2.941 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164867341 721087880 /nfs/dbraw/zinc/08/78/80/721087880.db2.gz YDBQQKCSMPWVLX-YTFSRNRJSA-N 1 1 491.640 2.855 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)OCC ZINC001164866348 721088721 /nfs/dbraw/zinc/08/87/21/721088721.db2.gz SODBSDSUVWOYOL-RBUKOAKNSA-N 1 1 461.994 2.946 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865195 721099170 /nfs/dbraw/zinc/09/91/70/721099170.db2.gz JLVWZGNYNOALMA-LSDHHAIUSA-N 1 1 452.342 2.835 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866363 721101401 /nfs/dbraw/zinc/10/14/01/721101401.db2.gz SSBTYLFNPWHKNA-IAGOWNOFSA-N 1 1 452.889 2.941 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865382 721107170 /nfs/dbraw/zinc/10/71/70/721107170.db2.gz KRBVUCUKZKCINK-LEWJYISDSA-N 1 1 459.529 2.888 20 0 JFADMO Cc1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863535 721109073 /nfs/dbraw/zinc/10/90/73/721109073.db2.gz CSMQYVTVBKJYPV-WOJBJXKFSA-N 1 1 466.611 2.711 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164875474 721125027 /nfs/dbraw/zinc/12/50/27/721125027.db2.gz LQTIYMJLRYSDRO-TZIWHRDSSA-N 1 1 481.578 2.547 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164875470 721125325 /nfs/dbraw/zinc/12/53/25/721125325.db2.gz LQTIYMJLRYSDRO-PZJWPPBQSA-N 1 1 481.578 2.547 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2N1C1CCCC1 ZINC001164772236 721133107 /nfs/dbraw/zinc/13/31/07/721133107.db2.gz UOYOSJSRLFFYPB-RZUBCFFCSA-N 1 1 478.645 2.672 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164877608 721133794 /nfs/dbraw/zinc/13/37/94/721133794.db2.gz OZVLRNYSIBYBDA-YADHBBJMSA-N 1 1 490.589 2.543 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164877607 721135059 /nfs/dbraw/zinc/13/50/59/721135059.db2.gz OZVLRNYSIBYBDA-VXKWHMMOSA-N 1 1 490.589 2.543 20 0 JFADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764904 721135118 /nfs/dbraw/zinc/13/51/18/721135118.db2.gz ILPXPPMRRVBFMX-FPOVZHCZSA-N 1 1 476.629 2.940 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164877614 721156886 /nfs/dbraw/zinc/15/68/86/721156886.db2.gz PBDVOYYHTKENBO-IAGOWNOFSA-N 1 1 471.974 2.714 20 0 JFADMO Cc1cc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164762071 721158912 /nfs/dbraw/zinc/15/89/12/721158912.db2.gz BQQPVWLNXNITDI-OALUTQOASA-N 1 1 453.616 2.528 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762090 721162601 /nfs/dbraw/zinc/16/26/01/721162601.db2.gz BWNRKNPDBSGASU-CLJLJLNGSA-N 1 1 499.663 2.731 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164774341 721174037 /nfs/dbraw/zinc/17/40/37/721174037.db2.gz YJKJTPTYHZKYMH-ZWKOTPCHSA-N 1 1 454.575 2.545 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C[C@H]3C2)cn1 ZINC001164765896 721211478 /nfs/dbraw/zinc/21/14/78/721211478.db2.gz IPHNWBOVVMMGFL-GOEBONIOSA-N 1 1 458.979 2.531 20 0 JFADMO O=C(N[C@H]1CCO[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164870662 721213303 /nfs/dbraw/zinc/21/33/03/721213303.db2.gz GZDQCGYQEZYIJZ-MBSDFSHPSA-N 1 1 456.978 2.679 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(SCc4ccccc4)ncn3)CC2)C1 ZINC001164879164 721287832 /nfs/dbraw/zinc/28/78/32/721287832.db2.gz VXHYMLBTBYNOLA-UHFFFAOYSA-N 1 1 455.628 2.776 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC2)C1 ZINC001164876620 721288897 /nfs/dbraw/zinc/28/88/97/721288897.db2.gz KDPPDDGCTUYUKC-UHFFFAOYSA-N 1 1 482.610 2.867 20 0 JFADMO O=C(NCc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164874184 721303267 /nfs/dbraw/zinc/30/32/67/721303267.db2.gz BIPUDDTUKLWSIW-NJYVYQBISA-N 1 1 455.990 2.884 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)c2c1C ZINC001164889874 721337432 /nfs/dbraw/zinc/33/74/32/721337432.db2.gz ZEGQXRACCQQSJI-IBVKSMDESA-N 1 1 499.681 2.996 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164778262 721351187 /nfs/dbraw/zinc/35/11/87/721351187.db2.gz LVDJREZDSFGKBP-HSZRJFAPSA-N 1 1 477.993 2.959 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164778262 721351189 /nfs/dbraw/zinc/35/11/89/721351189.db2.gz LVDJREZDSFGKBP-HSZRJFAPSA-N 1 1 477.993 2.959 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)CC1 ZINC001164785294 721358082 /nfs/dbraw/zinc/35/80/82/721358082.db2.gz UBBASYXXVWOGSW-AREMUKBSSA-N 1 1 498.628 2.590 20 0 JFADMO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782985 721362184 /nfs/dbraw/zinc/36/21/84/721362184.db2.gz OQRHEPHCDVLXRH-DEOSSOPVSA-N 1 1 457.575 2.747 20 0 JFADMO CON(C)C(=O)c1cc(C)cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782985 721362187 /nfs/dbraw/zinc/36/21/87/721362187.db2.gz OQRHEPHCDVLXRH-DEOSSOPVSA-N 1 1 457.575 2.747 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3N(C)CCO4)C2)C1 ZINC001164780884 721362816 /nfs/dbraw/zinc/36/28/16/721362816.db2.gz IKWVLBLBBRTGQE-JOCHJYFZSA-N 1 1 462.982 2.682 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4c3N(C)CCO4)C2)C1 ZINC001164780884 721362819 /nfs/dbraw/zinc/36/28/19/721362819.db2.gz IKWVLBLBBRTGQE-JOCHJYFZSA-N 1 1 462.982 2.682 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)C1 ZINC001164780048 721366697 /nfs/dbraw/zinc/36/66/97/721366697.db2.gz CUDYVVQVCZFPGK-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)C1 ZINC001164780048 721366700 /nfs/dbraw/zinc/36/67/00/721366700.db2.gz CUDYVVQVCZFPGK-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C2)C1 ZINC001164779969 721367871 /nfs/dbraw/zinc/36/78/71/721367871.db2.gz BPGJXOFRXVUGKG-SANMLTNESA-N 1 1 496.612 2.636 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C2)C1 ZINC001164782260 721370471 /nfs/dbraw/zinc/37/04/71/721370471.db2.gz LTWYERODTCBFGC-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C2)C1 ZINC001164782260 721370474 /nfs/dbraw/zinc/37/04/74/721370474.db2.gz LTWYERODTCBFGC-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(C)CC4)C2)C1 ZINC001164784604 721374593 /nfs/dbraw/zinc/37/45/93/721374593.db2.gz QUAVXBRTMRZEOK-HSZRJFAPSA-N 1 1 461.010 2.842 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CN(C)CC4)C2)C1 ZINC001164784604 721374595 /nfs/dbraw/zinc/37/45/95/721374595.db2.gz QUAVXBRTMRZEOK-HSZRJFAPSA-N 1 1 461.010 2.842 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885622 721387160 /nfs/dbraw/zinc/38/71/60/721387160.db2.gz CVMMZQOINJCSKZ-KBMIEXCESA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164892894 721409433 /nfs/dbraw/zinc/40/94/33/721409433.db2.gz ZBDRHQNWQZKFEY-FDDCHVKYSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164892424 721411788 /nfs/dbraw/zinc/41/17/88/721411788.db2.gz YDSKEUHFFZSEOB-CJFMBICVSA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2)OCC ZINC001164883536 721411996 /nfs/dbraw/zinc/41/19/96/721411996.db2.gz APHAXFNLXJUZPZ-DVECYGJZSA-N 1 1 482.069 2.837 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886224 721412473 /nfs/dbraw/zinc/41/24/73/721412473.db2.gz IHCRQXBCAVLYLC-MHECFPHRSA-N 1 1 474.005 2.835 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891380 721418198 /nfs/dbraw/zinc/41/81/98/721418198.db2.gz VRWLNZVNYRAVBM-FDDCHVKYSA-N 1 1 451.011 2.986 20 0 JFADMO Cc1cc2nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884556 721421163 /nfs/dbraw/zinc/42/11/63/721421163.db2.gz DWZAWRZMDFCQLY-CPJSRVTESA-N 1 1 486.686 2.602 20 0 JFADMO COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1)C1CC1 ZINC001164891558 721431478 /nfs/dbraw/zinc/43/14/78/721431478.db2.gz GWJDZSIVYKSXTM-MVERNJQCSA-N 1 1 456.631 2.904 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2)C1 ZINC001164890774 721433134 /nfs/dbraw/zinc/43/31/34/721433134.db2.gz FKESKGQBDNMMRY-VIICAESSSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888685 721439099 /nfs/dbraw/zinc/43/90/99/721439099.db2.gz AIQGILWBPIBQFN-YWZLYKJASA-N 1 1 454.953 2.922 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C3)O2)CC1 ZINC001164895366 721439853 /nfs/dbraw/zinc/43/98/53/721439853.db2.gz NYZONTPGKWEXEP-VGOFRKELSA-N 1 1 492.049 2.604 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1 ZINC001164888673 721441571 /nfs/dbraw/zinc/44/15/71/721441571.db2.gz ACQNERVXEANQBS-RLWLMLJZSA-N 1 1 467.614 2.926 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C3)O2)CC1 ZINC001164897061 721444413 /nfs/dbraw/zinc/44/44/13/721444413.db2.gz SJDSIAXHGQSVEM-NAKRPHOHSA-N 1 1 492.668 2.746 20 0 JFADMO Cc1nc(COC[C@H]2CCC[C@]23CN(c2ccnc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164781391 721445292 /nfs/dbraw/zinc/44/52/92/721445292.db2.gz FREZSIBCILJHJL-XXBNENTESA-N 1 1 458.632 2.586 20 0 JFADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCNC3)CC2 ZINC001164785993 721453570 /nfs/dbraw/zinc/45/35/70/721453570.db2.gz LIDSBOIHBGPLFZ-SFHVURJKSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCNC3)CC2 ZINC001164785993 721453571 /nfs/dbraw/zinc/45/35/71/721453571.db2.gz LIDSBOIHBGPLFZ-SFHVURJKSA-N 1 1 450.027 2.510 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782793 721460244 /nfs/dbraw/zinc/46/02/44/721460244.db2.gz CBHPGYPZPTVDQO-IBGZPJMESA-N 1 1 481.037 2.970 20 0 JFADMO CNC(=O)c1nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)ccc1Cl ZINC001164788623 721462376 /nfs/dbraw/zinc/46/23/76/721462376.db2.gz UVVUYHFCHUDCSU-GOSISDBHSA-N 1 1 451.011 2.829 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164788645 721464008 /nfs/dbraw/zinc/46/40/08/721464008.db2.gz VDPYOMDHVQLDEK-NRFANRHFSA-N 1 1 460.619 2.757 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788625 721464369 /nfs/dbraw/zinc/46/43/69/721464369.db2.gz UWFJEXZSZUZTNV-FQEVSTJZSA-N 1 1 485.629 2.879 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788627 721464809 /nfs/dbraw/zinc/46/48/09/721464809.db2.gz UWFJEXZSZUZTNV-HXUWFJFHSA-N 1 1 485.629 2.879 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164907126 721546096 /nfs/dbraw/zinc/54/60/96/721546096.db2.gz MEIZOYKGKOOGQX-ICSRJNTNSA-N 1 1 480.496 2.961 20 0 JFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908703 721567766 /nfs/dbraw/zinc/56/77/66/721567766.db2.gz RSTPKKBRYMEBJJ-HKUYNNGSSA-N 1 1 457.502 2.916 20 0 JFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908706 721567874 /nfs/dbraw/zinc/56/78/74/721567874.db2.gz RSTPKKBRYMEBJJ-IEBWSBKVSA-N 1 1 457.502 2.916 20 0 JFADMO CN(C)C(=O)[C@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CC2 ZINC001164903561 721570385 /nfs/dbraw/zinc/57/03/85/721570385.db2.gz CPHZXGJNOKKXLG-AZUAARDMSA-N 1 1 471.646 2.575 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)C1=O ZINC001164809295 721573192 /nfs/dbraw/zinc/57/31/92/721573192.db2.gz WGLDJKAAHWICQG-CMKODMSKSA-N 1 1 456.978 2.757 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)C1=O ZINC001164809295 721573193 /nfs/dbraw/zinc/57/31/93/721573193.db2.gz WGLDJKAAHWICQG-CMKODMSKSA-N 1 1 456.978 2.757 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164807852 721574350 /nfs/dbraw/zinc/57/43/50/721574350.db2.gz TXKGJFKPTXRDFW-SOLBZPMBSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164807852 721574355 /nfs/dbraw/zinc/57/43/55/721574355.db2.gz TXKGJFKPTXRDFW-SOLBZPMBSA-N 1 1 456.934 2.661 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C1=O ZINC001164904063 721576103 /nfs/dbraw/zinc/57/61/03/721576103.db2.gz UJMDAAUXIRNXBO-QZTJIDSGSA-N 1 1 451.596 2.961 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164806830 721581005 /nfs/dbraw/zinc/58/10/05/721581005.db2.gz NBVYRIIAAAYRTP-FIXSFTCYSA-N 1 1 473.643 2.669 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164806830 721581007 /nfs/dbraw/zinc/58/10/07/721581007.db2.gz NBVYRIIAAAYRTP-FIXSFTCYSA-N 1 1 473.643 2.669 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808900 721581229 /nfs/dbraw/zinc/58/12/29/721581229.db2.gz RNMDLZLMMUGSAH-FUPPJEDESA-N 1 1 473.643 2.812 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164808900 721581233 /nfs/dbraw/zinc/58/12/33/721581233.db2.gz RNMDLZLMMUGSAH-FUPPJEDESA-N 1 1 473.643 2.812 20 0 JFADMO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164801416 721594046 /nfs/dbraw/zinc/59/40/46/721594046.db2.gz QYYBNBKNNQBPGU-SANMLTNESA-N 1 1 491.617 2.735 20 0 JFADMO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164801416 721594048 /nfs/dbraw/zinc/59/40/48/721594048.db2.gz QYYBNBKNNQBPGU-SANMLTNESA-N 1 1 491.617 2.735 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)n1 ZINC001164796437 721596296 /nfs/dbraw/zinc/59/62/96/721596296.db2.gz BZVJHSDWXUHWFP-FHWLQOOXSA-N 1 1 473.643 2.745 20 0 JFADMO Cc1cccc(CN2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@@H]3C2=O)n1 ZINC001164800809 721603240 /nfs/dbraw/zinc/60/32/40/721603240.db2.gz OQXCCILHDCREMC-BJKOFHAPSA-N 1 1 465.598 2.512 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908136 721715178 /nfs/dbraw/zinc/71/51/78/721715178.db2.gz VYRYHCINGVXTRI-DEOSSOPVSA-N 1 1 486.567 2.999 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)nc1 ZINC001165013562 721758189 /nfs/dbraw/zinc/75/81/89/721758189.db2.gz NVXHJTQVDAUIAI-JVNMPXIPSA-N 1 1 452.603 2.918 20 0 JFADMO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165016207 721775215 /nfs/dbraw/zinc/77/52/15/721775215.db2.gz OLIXBMXSEBXTGV-NAKRPHOHSA-N 1 1 476.621 2.874 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916667 721790002 /nfs/dbraw/zinc/79/00/02/721790002.db2.gz RZPXZIVHUIGLHQ-HHHXNRCGSA-N 1 1 490.608 2.518 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916667 721790006 /nfs/dbraw/zinc/79/00/06/721790006.db2.gz RZPXZIVHUIGLHQ-HHHXNRCGSA-N 1 1 490.608 2.518 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]32)cc1 ZINC001165026563 721795669 /nfs/dbraw/zinc/79/56/69/721795669.db2.gz ZTCTUJGCILGGCY-NHCUHLMSSA-N 1 1 456.974 2.956 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026439 721817421 /nfs/dbraw/zinc/81/74/21/721817421.db2.gz QGIWMAVCEMJPHE-WWNPGLIZSA-N 1 1 464.614 2.998 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165025494 721817830 /nfs/dbraw/zinc/81/78/30/721817830.db2.gz MXRVRACDXAEKEL-PMVMPFDFSA-N 1 1 464.614 2.998 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1=O ZINC001164922568 721844051 /nfs/dbraw/zinc/84/40/51/721844051.db2.gz RAMMHAUMZXAADX-ICSRJNTNSA-N 1 1 499.681 2.866 20 0 JFADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001165034981 721875815 /nfs/dbraw/zinc/87/58/15/721875815.db2.gz RNRFDSXSXLRJKY-RDJZCZTQSA-N 1 1 471.627 2.670 20 0 JFADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001165034501 721875917 /nfs/dbraw/zinc/87/59/17/721875917.db2.gz LYOYJFMXARWALJ-KRWDZBQOSA-N 1 1 453.568 2.678 20 0 JFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929176 721879071 /nfs/dbraw/zinc/87/90/71/721879071.db2.gz AGZYJLUXUWOSGE-WOJBJXKFSA-N 1 1 470.687 2.617 20 0 JFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929176 721879073 /nfs/dbraw/zinc/87/90/73/721879073.db2.gz AGZYJLUXUWOSGE-WOJBJXKFSA-N 1 1 470.687 2.617 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945717 721943687 /nfs/dbraw/zinc/94/36/87/721943687.db2.gz UNICTLCRXUOCAB-DQEYMECFSA-N 1 1 460.582 2.729 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945717 721943690 /nfs/dbraw/zinc/94/36/90/721943690.db2.gz UNICTLCRXUOCAB-DQEYMECFSA-N 1 1 460.582 2.729 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[NH+](CCOc4ccccc4)CC3)nc21 ZINC001165045523 721958779 /nfs/dbraw/zinc/95/87/79/721958779.db2.gz WRWRIMJGJNTAAY-UHFFFAOYSA-N 1 1 463.563 2.869 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945917 721970045 /nfs/dbraw/zinc/97/00/45/721970045.db2.gz UPXMLLUVDRJTSV-UHFFFAOYSA-N 1 1 459.550 2.778 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945917 721970047 /nfs/dbraw/zinc/97/00/47/721970047.db2.gz UPXMLLUVDRJTSV-UHFFFAOYSA-N 1 1 459.550 2.778 20 0 JFADMO c1cc(C[N@H+]2CCOCC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959991 722059230 /nfs/dbraw/zinc/05/92/30/722059230.db2.gz BQJXNXGRJDLFIJ-UHFFFAOYSA-N 1 1 478.645 2.586 20 0 JFADMO CC(=O)N1CC(=O)NC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164972301 722079408 /nfs/dbraw/zinc/07/94/08/722079408.db2.gz ZZWZGKJVMPOMGS-QUGAMOGWSA-N 1 1 496.681 2.729 20 0 JFADMO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164968961 722080387 /nfs/dbraw/zinc/08/03/87/722080387.db2.gz GSHBTLYPSYDMNH-UMFSSWHCSA-N 1 1 471.609 2.747 20 0 JFADMO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164968961 722080388 /nfs/dbraw/zinc/08/03/88/722080388.db2.gz GSHBTLYPSYDMNH-UMFSSWHCSA-N 1 1 471.609 2.747 20 0 JFADMO CC(C)C(=O)N1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@]2(CCCC(=O)N2)C1 ZINC001164972755 722088008 /nfs/dbraw/zinc/08/80/08/722088008.db2.gz MRFGMLCFZUHYPZ-MUUNZHRXSA-N 1 1 475.637 2.983 20 0 JFADMO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164982373 722092632 /nfs/dbraw/zinc/09/26/32/722092632.db2.gz QAFNJXHZCMRILJ-CUYJMHBOSA-N 1 1 472.593 2.540 20 0 JFADMO NC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164976471 722101539 /nfs/dbraw/zinc/10/15/39/722101539.db2.gz DJRZSDBFNLCQJA-DOTOQJQBSA-N 1 1 451.905 2.501 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982698 722125154 /nfs/dbraw/zinc/12/51/54/722125154.db2.gz XSOPVADRLWCLLK-QZTJIDSGSA-N 1 1 479.412 2.742 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981894 722127608 /nfs/dbraw/zinc/12/76/08/722127608.db2.gz VKDMSFJGAZIKDA-QAPCUYQASA-N 1 1 456.934 2.520 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978183 722128062 /nfs/dbraw/zinc/12/80/62/722128062.db2.gz NSVXMTFZVWQOLI-IRLDBZIGSA-N 1 1 480.638 2.959 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983775 722134829 /nfs/dbraw/zinc/13/48/29/722134829.db2.gz UURUVPIHAMPOFX-NFBKMPQASA-N 1 1 495.605 2.795 20 0 JFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983844 722136516 /nfs/dbraw/zinc/13/65/16/722136516.db2.gz VRURBASIQXQLLW-MAUKXSAKSA-N 1 1 451.905 2.501 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)CC2)cc1 ZINC001164984232 722142175 /nfs/dbraw/zinc/14/21/75/722142175.db2.gz WPCCQCGWGLCOCU-AOYPEHQESA-N 1 1 485.636 2.926 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972192 722156236 /nfs/dbraw/zinc/15/62/36/722156236.db2.gz GOHNBMQDOLLDPU-GJZGRUSLSA-N 1 1 452.342 2.692 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(=O)OCC ZINC001164977122 722158016 /nfs/dbraw/zinc/15/80/16/722158016.db2.gz XDTFCBMIPWXQFI-TZIWHRDSSA-N 1 1 468.554 2.557 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164991370 722189027 /nfs/dbraw/zinc/18/90/27/722189027.db2.gz PQVCJWAIRDMJIM-JOCHJYFZSA-N 1 1 451.615 2.874 20 0 JFADMO COCCO[C@H]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164998241 722223338 /nfs/dbraw/zinc/22/33/38/722223338.db2.gz HKQJYKIEUUYYBI-DQEYMECFSA-N 1 1 462.598 2.621 20 0 JFADMO COCCO[C@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]1Cc1cnn(C)c1 ZINC001164998241 722223342 /nfs/dbraw/zinc/22/33/42/722223342.db2.gz HKQJYKIEUUYYBI-DQEYMECFSA-N 1 1 462.598 2.621 20 0 JFADMO CSc1nc(Cl)cc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164996532 722229889 /nfs/dbraw/zinc/22/98/89/722229889.db2.gz JKQOKJUOSCBPNT-UHFFFAOYSA-N 1 1 455.966 2.544 20 0 JFADMO CCOc1cc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2cc1OCC ZINC001164997554 722233856 /nfs/dbraw/zinc/23/38/56/722233856.db2.gz PQKVUAMZBYEACR-UHFFFAOYSA-N 1 1 463.586 2.574 20 0 JFADMO Cc1ccc(-c2nc3c(ncnc3N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)o2)cc1 ZINC001165001567 722238307 /nfs/dbraw/zinc/23/83/07/722238307.db2.gz JCAYNUPXJFCRDL-UHFFFAOYSA-N 1 1 456.554 2.740 20 0 JFADMO CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001299739982 1059477099 /nfs/dbraw/zinc/47/70/99/1059477099.db2.gz IYJGMOVVBPCBCJ-YDIMBITNSA-N 1 1 464.655 2.700 20 0 JFADMO CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001299739982 1059477107 /nfs/dbraw/zinc/47/71/07/1059477107.db2.gz IYJGMOVVBPCBCJ-YDIMBITNSA-N 1 1 464.655 2.700 20 0 JFADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109360 1059520385 /nfs/dbraw/zinc/52/03/85/1059520385.db2.gz OPSPPYTWCWSNGR-FCHUYYIVSA-N 1 1 459.616 2.515 20 0 JFADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3ncc(I)n3c2)C[C@H](C)O1 ZINC001264317288 1059568837 /nfs/dbraw/zinc/56/88/37/1059568837.db2.gz GNWPTAJJHLEQOZ-STQMWFEESA-N 1 1 456.328 2.557 20 0 JFADMO O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001264339254 1059575789 /nfs/dbraw/zinc/57/57/89/1059575789.db2.gz BSLYNSSKBSWOGV-UHFFFAOYSA-N 1 1 458.580 2.793 20 0 JFADMO COC(=O)Nc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC001264644200 1059635833 /nfs/dbraw/zinc/63/58/33/1059635833.db2.gz PSQARPRPFTZHQQ-JOCHJYFZSA-N 1 1 450.539 2.909 20 0 JFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001264826351 1059696127 /nfs/dbraw/zinc/69/61/27/1059696127.db2.gz KKNJOMCYFCIDQH-BVZFJXPGSA-N 1 1 472.586 2.668 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cc2)C1 ZINC001264894778 1059720475 /nfs/dbraw/zinc/72/04/75/1059720475.db2.gz XIXKSMDYXRYROH-HXUWFJFHSA-N 1 1 455.580 2.820 20 0 JFADMO CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001265066499 1059761134 /nfs/dbraw/zinc/76/11/34/1059761134.db2.gz QTUDKXJBARBPRA-LJQANCHMSA-N 1 1 453.624 2.942 20 0 JFADMO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001265257117 1059810242 /nfs/dbraw/zinc/81/02/42/1059810242.db2.gz RRCXOCJOMADSQH-SFHVURJKSA-N 1 1 458.356 2.955 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001265282554 1059816596 /nfs/dbraw/zinc/81/65/96/1059816596.db2.gz ZFFSBFNHSCZLMG-LJQANCHMSA-N 1 1 456.591 2.930 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393984 1059841913 /nfs/dbraw/zinc/84/19/13/1059841913.db2.gz OPJGXPZCPFUFSE-HXUWFJFHSA-N 1 1 458.628 2.658 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001265393782 1059841976 /nfs/dbraw/zinc/84/19/76/1059841976.db2.gz IRYGYTIZWNABDH-BFMBIBTESA-N 1 1 450.583 2.542 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)cc1 ZINC001265596054 1059894567 /nfs/dbraw/zinc/89/45/67/1059894567.db2.gz SAJYBEDOTZZXJN-UHFFFAOYSA-N 1 1 457.490 2.844 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c2ccc(Br)cc2nn1C ZINC001265661030 1059906011 /nfs/dbraw/zinc/90/60/11/1059906011.db2.gz MCTSTMVXNNCHAM-OAHLLOKOSA-N 1 1 457.376 2.671 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC001265661295 1059906684 /nfs/dbraw/zinc/90/66/84/1059906684.db2.gz QDAMFRGHQGZKPA-SFHVURJKSA-N 1 1 452.534 2.920 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc(Cl)ccc3-n3cncn3)cc2)CC1 ZINC001265681177 1059910059 /nfs/dbraw/zinc/91/00/59/1059910059.db2.gz JLTNRIKVGMWHFN-UHFFFAOYSA-N 1 1 452.946 2.880 20 0 JFADMO CC[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837232 1059934043 /nfs/dbraw/zinc/93/40/43/1059934043.db2.gz VLVDIOUCCYQZNP-RXVVDRJESA-N 1 1 459.493 2.801 20 0 JFADMO CC[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837232 1059934060 /nfs/dbraw/zinc/93/40/60/1059934060.db2.gz VLVDIOUCCYQZNP-RXVVDRJESA-N 1 1 459.493 2.801 20 0 JFADMO C[C@@H]1Oc2ccccc2N(CCC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC001265876514 1059937981 /nfs/dbraw/zinc/93/79/81/1059937981.db2.gz HKTIBIOJBFYTAZ-SFHVURJKSA-N 1 1 456.974 2.782 20 0 JFADMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192488 1060001332 /nfs/dbraw/zinc/00/13/32/1060001332.db2.gz BABVGJBPKDDZFA-SJORKVTESA-N 1 1 454.017 2.945 20 0 JFADMO CC(=O)c1ccc(N2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001286838219 1061094714 /nfs/dbraw/zinc/09/47/14/1061094714.db2.gz SLIZXWAXDSZVEQ-UHFFFAOYSA-N 1 1 499.635 2.913 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286842856 1061118468 /nfs/dbraw/zinc/11/84/68/1061118468.db2.gz DOVTXRXLEVIPSM-JOCHJYFZSA-N 1 1 474.675 2.734 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001286843383 1061122137 /nfs/dbraw/zinc/12/21/37/1061122137.db2.gz QBPJRBJKJWBSBY-UHFFFAOYSA-N 1 1 453.635 2.833 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001286843636 1061123748 /nfs/dbraw/zinc/12/37/48/1061123748.db2.gz AMPHAFXJJFDAPK-GOSISDBHSA-N 1 1 458.582 2.928 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286844459 1061133195 /nfs/dbraw/zinc/13/31/95/1061133195.db2.gz QNUTVYFREWVZMA-RUZDIDTESA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286846284 1061148144 /nfs/dbraw/zinc/14/81/44/1061148144.db2.gz XRDZDLKDPSGOBU-NSHGMRRFSA-N 1 1 490.052 2.797 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286847881 1061161291 /nfs/dbraw/zinc/16/12/91/1061161291.db2.gz CJGUPXJBDVHGRU-DNQXCXABSA-N 1 1 484.693 2.812 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286849048 1061167460 /nfs/dbraw/zinc/16/74/60/1061167460.db2.gz SZYLLRCEKRNQOG-LEWJYISDSA-N 1 1 472.609 2.626 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286852188 1061188113 /nfs/dbraw/zinc/18/81/13/1061188113.db2.gz PSCOMWPAURVPBN-XJUOHMSHSA-N 1 1 467.662 2.937 20 0 JFADMO CC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286854996 1061207492 /nfs/dbraw/zinc/20/74/92/1061207492.db2.gz BOTQMSJTKPCHNG-KDURUIRLSA-N 1 1 474.675 2.734 20 0 JFADMO CC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286854996 1061207515 /nfs/dbraw/zinc/20/75/15/1061207515.db2.gz BOTQMSJTKPCHNG-KDURUIRLSA-N 1 1 474.675 2.734 20 0 JFADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1)C(C)C ZINC001289584302 1061228188 /nfs/dbraw/zinc/22/81/88/1061228188.db2.gz YSPPMKKEOVRQOQ-LRZVDXDASA-N 1 1 450.601 2.546 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001289585290 1061228755 /nfs/dbraw/zinc/22/87/55/1061228755.db2.gz LVQDYKCCLWJYMH-AZUAARDMSA-N 1 1 478.663 2.733 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCCNS(C)(=O)=O)o1 ZINC001289585423 1061229205 /nfs/dbraw/zinc/22/92/05/1061229205.db2.gz MNXCBADHESCYEX-UYAOXDASSA-N 1 1 478.663 2.877 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)o1 ZINC001289593227 1061234971 /nfs/dbraw/zinc/23/49/71/1061234971.db2.gz ZTYCCUCRQIWADH-GOSISDBHSA-N 1 1 464.636 2.581 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@@H]2C)CC1 ZINC001286868468 1061257274 /nfs/dbraw/zinc/25/72/74/1061257274.db2.gz AISQVDFVZKWLGA-RDPSFJRHSA-N 1 1 454.619 2.661 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001286868646 1061258389 /nfs/dbraw/zinc/25/83/89/1061258389.db2.gz AAKXUYUBQFHFDK-OFNKIYASSA-N 1 1 454.619 2.750 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C)CC1 ZINC001286868941 1061259655 /nfs/dbraw/zinc/25/96/55/1061259655.db2.gz CRFXISLRXZZIMV-KKSFZXQISA-N 1 1 480.535 2.912 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(C)cc2)CC1 ZINC001289620800 1061259945 /nfs/dbraw/zinc/25/99/45/1061259945.db2.gz FELOEVAEZOMRJS-UHFFFAOYSA-N 1 1 478.645 2.640 20 0 JFADMO Cc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001289621756 1061260366 /nfs/dbraw/zinc/26/03/66/1061260366.db2.gz NPKLSTVUDZXTFQ-UHFFFAOYSA-N 1 1 454.619 2.612 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286870542 1061267001 /nfs/dbraw/zinc/26/70/01/1061267001.db2.gz BXVPSWSMSZAZGQ-PZJWPPBQSA-N 1 1 488.608 2.583 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001289634321 1061267155 /nfs/dbraw/zinc/26/71/55/1061267155.db2.gz CWPSQBFHKQICQK-NVXWUHKLSA-N 1 1 454.666 2.627 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286871438 1061272279 /nfs/dbraw/zinc/27/22/79/1061272279.db2.gz OFKGNHNWNAARAJ-CRAIPNDOSA-N 1 1 474.597 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@H]2C)CC1 ZINC001286871706 1061275016 /nfs/dbraw/zinc/27/50/16/1061275016.db2.gz PDARXRGLFHPRIW-XLIONFOSSA-N 1 1 490.603 2.631 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286871765 1061275535 /nfs/dbraw/zinc/27/55/35/1061275535.db2.gz PSZVLBKBSXQQKY-WMZHIEFXSA-N 1 1 470.666 2.684 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286871810 1061275758 /nfs/dbraw/zinc/27/57/58/1061275758.db2.gz QCHPTFBKVMCBIQ-NZQKXSOJSA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286873002 1061283932 /nfs/dbraw/zinc/28/39/32/1061283932.db2.gz ZYRXNGDGRAWCOA-CVDCTZTESA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286873017 1061284040 /nfs/dbraw/zinc/28/40/40/1061284040.db2.gz WAWCRDDMUNKJIM-HSALFYBXSA-N 1 1 488.608 2.725 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001286878376 1061297521 /nfs/dbraw/zinc/29/75/21/1061297521.db2.gz ZKUWGXXMLYDRCT-INIZCTEOSA-N 1 1 461.408 2.860 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001286878378 1061298067 /nfs/dbraw/zinc/29/80/67/1061298067.db2.gz ZKUWGXXMLYDRCT-MRXNPFEDSA-N 1 1 461.408 2.860 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286881993 1061308138 /nfs/dbraw/zinc/30/81/38/1061308138.db2.gz HYIAKRMSPSCACP-GBESFXJTSA-N 1 1 490.599 2.703 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286883553 1061314613 /nfs/dbraw/zinc/31/46/13/1061314613.db2.gz QCBZFVQTGVUZKD-SLFFLAALSA-N 1 1 472.609 2.564 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)[C@H](C)C1 ZINC001286884546 1061319508 /nfs/dbraw/zinc/31/95/08/1061319508.db2.gz ULLJKTXZTUMXEH-ISKFKSNPSA-N 1 1 498.672 2.888 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1C ZINC001289715124 1061323043 /nfs/dbraw/zinc/32/30/43/1061323043.db2.gz UCZAFGYOJMQHPK-DEOSSOPVSA-N 1 1 497.688 2.717 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(F)c3)C[C@H]2C)CC1 ZINC001286886774 1061331572 /nfs/dbraw/zinc/33/15/72/1061331572.db2.gz IMAPZVVXIUNXDI-VGSWGCGISA-N 1 1 490.599 2.922 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccc4F)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886799 1061331614 /nfs/dbraw/zinc/33/16/14/1061331614.db2.gz ITRHWPINZPMXJI-AVRDEDQJSA-N 1 1 472.609 2.888 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[C@@](C)(O)c3ccccc3)C[C@H]2C)CC1 ZINC001286886991 1061332938 /nfs/dbraw/zinc/33/29/38/1061332938.db2.gz LPYRDOZQYSKDOQ-GNMGOMLTSA-N 1 1 482.673 2.763 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1C ZINC001289726509 1061334901 /nfs/dbraw/zinc/33/49/01/1061334901.db2.gz SVUKCBZWFKHODI-KNQAVFIVSA-N 1 1 484.645 2.978 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286887399 1061335735 /nfs/dbraw/zinc/33/57/35/1061335735.db2.gz QSXMEAPLBVSVFE-NZQKXSOJSA-N 1 1 460.667 2.552 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286887406 1061336224 /nfs/dbraw/zinc/33/62/24/1061336224.db2.gz QTZWDJYRQJUAOI-QPPBQGQZSA-N 1 1 468.646 2.853 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001289728071 1061337760 /nfs/dbraw/zinc/33/77/60/1061337760.db2.gz YWPICQJAASYVRK-LJQANCHMSA-N 1 1 476.647 2.502 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289728071 1061337778 /nfs/dbraw/zinc/33/77/78/1061337778.db2.gz YWPICQJAASYVRK-LJQANCHMSA-N 1 1 476.647 2.502 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286888437 1061341298 /nfs/dbraw/zinc/34/12/98/1061341298.db2.gz YULWAUFLLLYJBH-FKRCVWNDSA-N 1 1 489.064 2.951 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001286888630 1061342614 /nfs/dbraw/zinc/34/26/14/1061342614.db2.gz ZTYVRUCQIRFUGT-XUZZJYLKSA-N 1 1 482.673 2.603 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286888635 1061342699 /nfs/dbraw/zinc/34/26/99/1061342699.db2.gz ZUHWGNITVLHVSW-YLJYHZDGSA-N 1 1 490.052 2.797 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735818 1061348605 /nfs/dbraw/zinc/34/86/05/1061348605.db2.gz UBKAAHOZQOQVSW-VGOFRKELSA-N 1 1 480.535 2.993 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001286889637 1061349902 /nfs/dbraw/zinc/34/99/02/1061349902.db2.gz VMGXNQMRKMLESL-IOMROCGXSA-N 1 1 457.623 2.849 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001286889834 1061351268 /nfs/dbraw/zinc/35/12/68/1061351268.db2.gz MXXZUKVMIGHUEN-IAGOWNOFSA-N 1 1 475.435 2.964 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001286889816 1061351300 /nfs/dbraw/zinc/35/13/00/1061351300.db2.gz MLBUWFMBIYPUKP-IRXDYDNUSA-N 1 1 492.466 2.693 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001286889841 1061351363 /nfs/dbraw/zinc/35/13/63/1061351363.db2.gz NCQQRKZAQUJWAE-HOTGVXAUSA-N 1 1 478.439 2.825 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001286889840 1061351440 /nfs/dbraw/zinc/35/14/40/1061351440.db2.gz NCQQRKZAQUJWAE-CVEARBPZSA-N 1 1 478.439 2.825 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001289740867 1061355626 /nfs/dbraw/zinc/35/56/26/1061355626.db2.gz QSPXTAVAKHSDNU-UHFFFAOYSA-N 1 1 493.612 2.977 20 0 JFADMO CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC001286891424 1061360006 /nfs/dbraw/zinc/36/00/06/1061360006.db2.gz XFGABRYYHSTOOM-IBGZPJMESA-N 1 1 459.664 2.510 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(C)(C)C)CC1 ZINC001286891445 1061360397 /nfs/dbraw/zinc/36/03/97/1061360397.db2.gz XRALSIQLZGIAIB-UHFFFAOYSA-N 1 1 466.428 2.682 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286891694 1061361593 /nfs/dbraw/zinc/36/15/93/1061361593.db2.gz NGPZAWXWYGMPGM-IBGZPJMESA-N 1 1 478.066 2.735 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286891888 1061362507 /nfs/dbraw/zinc/36/25/07/1061362507.db2.gz QAHLWFABTOJLBC-OAQYLSRUSA-N 1 1 460.623 2.826 20 0 JFADMO CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286892546 1061365165 /nfs/dbraw/zinc/36/51/65/1061365165.db2.gz WUYNKODQZIRVKU-UHFFFAOYSA-N 1 1 467.662 2.666 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001286892610 1061365624 /nfs/dbraw/zinc/36/56/24/1061365624.db2.gz YLDSTOUEHAJHFI-UHFFFAOYSA-N 1 1 498.031 2.811 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748043 1061367376 /nfs/dbraw/zinc/36/73/76/1061367376.db2.gz WNCKLUBJIMUQCI-PNCHPQGNSA-N 1 1 458.632 2.544 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001289751669 1061373465 /nfs/dbraw/zinc/37/34/65/1061373465.db2.gz WKZYSVORIVPBMW-UHFFFAOYSA-N 1 1 469.634 2.922 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001286895216 1061374385 /nfs/dbraw/zinc/37/43/85/1061374385.db2.gz PPHPTFWJOCHYTC-CYFREDJKSA-N 1 1 495.672 2.862 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289754560 1061376145 /nfs/dbraw/zinc/37/61/45/1061376145.db2.gz SVGIUNARGLHUAB-IRLDBZIGSA-N 1 1 470.618 2.871 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289755540 1061378416 /nfs/dbraw/zinc/37/84/16/1061378416.db2.gz DKIAZNUGKUUZNY-FGZHOGPDSA-N 1 1 470.618 2.870 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289755537 1061378524 /nfs/dbraw/zinc/37/85/24/1061378524.db2.gz DKIAZNUGKUUZNY-FCHUYYIVSA-N 1 1 470.618 2.870 20 0 JFADMO Cc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764842 1061386313 /nfs/dbraw/zinc/38/63/13/1061386313.db2.gz ZXCIYECRIQSHQF-BHIFYINESA-N 1 1 484.645 2.722 20 0 JFADMO Cc1ccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764842 1061386339 /nfs/dbraw/zinc/38/63/39/1061386339.db2.gz ZXCIYECRIQSHQF-BHIFYINESA-N 1 1 484.645 2.722 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001289769430 1061390542 /nfs/dbraw/zinc/39/05/42/1061390542.db2.gz PTACKBVQBVPQKN-AQNXPRMDSA-N 1 1 486.642 2.882 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286900442 1061391743 /nfs/dbraw/zinc/39/17/43/1061391743.db2.gz GMPMMMAMTOGXER-OSFYOIPJSA-N 1 1 456.639 2.827 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289773080 1061394031 /nfs/dbraw/zinc/39/40/31/1061394031.db2.gz BENYFRDGBNVBCH-UHFFFAOYSA-N 1 1 486.661 2.936 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289773080 1061394046 /nfs/dbraw/zinc/39/40/46/1061394046.db2.gz BENYFRDGBNVBCH-UHFFFAOYSA-N 1 1 486.661 2.936 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289774563 1061396416 /nfs/dbraw/zinc/39/64/16/1061396416.db2.gz RZQLAYOOKWVTFU-PMACEKPBSA-N 1 1 463.648 2.828 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286903416 1061402790 /nfs/dbraw/zinc/40/27/90/1061402790.db2.gz BIJKBNCLAZZWEV-UYAOXDASSA-N 1 1 482.633 2.541 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289782975 1061406569 /nfs/dbraw/zinc/40/65/69/1061406569.db2.gz PRRMNNATTDWTEJ-HSZRJFAPSA-N 1 1 467.618 2.892 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001289786368 1061412166 /nfs/dbraw/zinc/41/21/66/1061412166.db2.gz HEHLAKISGVYIQI-OYRHEFFESA-N 1 1 467.618 2.916 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001286906564 1061427770 /nfs/dbraw/zinc/42/77/70/1061427770.db2.gz DWQDHLWLENVBBX-OFVILXPXSA-N 1 1 476.666 2.546 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001289802634 1061438836 /nfs/dbraw/zinc/43/88/36/1061438836.db2.gz LYMTXZDLYZNQQZ-OAQYLSRUSA-N 1 1 484.645 2.677 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289802633 1061438854 /nfs/dbraw/zinc/43/88/54/1061438854.db2.gz LYMTXZDLYZNQQZ-NRFANRHFSA-N 1 1 484.645 2.677 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286908080 1061440726 /nfs/dbraw/zinc/44/07/26/1061440726.db2.gz XQMNUDAUGURFLR-QAPCUYQASA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286908080 1061440731 /nfs/dbraw/zinc/44/07/31/1061440731.db2.gz XQMNUDAUGURFLR-QAPCUYQASA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001286908089 1061440746 /nfs/dbraw/zinc/44/07/46/1061440746.db2.gz XTSFUSASWWLDPX-NVQXNPDNSA-N 1 1 484.645 2.542 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001286908088 1061440772 /nfs/dbraw/zinc/44/07/72/1061440772.db2.gz XTSFUSASWWLDPX-GJZUVCINSA-N 1 1 484.645 2.542 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001289805770 1061444740 /nfs/dbraw/zinc/44/47/40/1061444740.db2.gz SIDAJHRCXVHHQB-UHFFFAOYSA-N 1 1 484.689 2.956 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289810589 1061455610 /nfs/dbraw/zinc/45/56/10/1061455610.db2.gz VJDJBEHNESZJIL-NHCUHLMSSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289810589 1061455626 /nfs/dbraw/zinc/45/56/26/1061455626.db2.gz VJDJBEHNESZJIL-NHCUHLMSSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289818155 1061474252 /nfs/dbraw/zinc/47/42/52/1061474252.db2.gz KOYMAAQHROUUKI-RBBKRZOGSA-N 1 1 475.659 2.972 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286914297 1061480939 /nfs/dbraw/zinc/48/09/39/1061480939.db2.gz WJGSEFVVVUKERD-ZFGGDYGUSA-N 1 1 468.646 2.668 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286914295 1061481050 /nfs/dbraw/zinc/48/10/50/1061481050.db2.gz WJGSEFVVVUKERD-IMSXRSKXSA-N 1 1 468.646 2.668 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CC(=O)NC(C)C)cc1C ZINC001289824405 1061490574 /nfs/dbraw/zinc/49/05/74/1061490574.db2.gz JDJLIRJEIAVPHD-NRFANRHFSA-N 1 1 484.645 2.688 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286916095 1061497426 /nfs/dbraw/zinc/49/74/26/1061497426.db2.gz FHRAINANXJZTMI-GOSISDBHSA-N 1 1 488.608 2.773 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286916095 1061497430 /nfs/dbraw/zinc/49/74/30/1061497430.db2.gz FHRAINANXJZTMI-GOSISDBHSA-N 1 1 488.608 2.773 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286916765 1061501482 /nfs/dbraw/zinc/50/14/82/1061501482.db2.gz SSSWHCOCTKANPZ-GOSISDBHSA-N 1 1 491.036 2.899 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289827702 1061503464 /nfs/dbraw/zinc/50/34/64/1061503464.db2.gz JVCXORXLAPBWRP-GMAHTHKFSA-N 1 1 457.619 2.995 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001289828557 1061504696 /nfs/dbraw/zinc/50/46/96/1061504696.db2.gz PUFWRCXEIVLLBV-LJQANCHMSA-N 1 1 469.508 2.655 20 0 JFADMO Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289843152 1061518307 /nfs/dbraw/zinc/51/83/07/1061518307.db2.gz VTNMVRUDNZJQOJ-RZUBCFFCSA-N 1 1 470.618 2.552 20 0 JFADMO Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289843152 1061518329 /nfs/dbraw/zinc/51/83/29/1061518329.db2.gz VTNMVRUDNZJQOJ-RZUBCFFCSA-N 1 1 470.618 2.552 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001286924605 1061530972 /nfs/dbraw/zinc/53/09/72/1061530972.db2.gz BJGMUAITKIKSLY-GOTSBHOMSA-N 1 1 470.666 2.613 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001286925967 1061536751 /nfs/dbraw/zinc/53/67/51/1061536751.db2.gz GMSYZAITWACDIN-WIOPSUGQSA-N 1 1 482.673 2.917 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286927080 1061543439 /nfs/dbraw/zinc/54/34/39/1061543439.db2.gz QGJKXUMPXVPZIZ-LJQANCHMSA-N 1 1 481.645 2.982 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286929196 1061550745 /nfs/dbraw/zinc/55/07/45/1061550745.db2.gz NGHMBZNOHXKVOC-RPWUZVMVSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286930473 1061554899 /nfs/dbraw/zinc/55/48/99/1061554899.db2.gz RKHUEAARZGZZIJ-XUZZJYLKSA-N 1 1 486.636 2.717 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286930477 1061555466 /nfs/dbraw/zinc/55/54/66/1061555466.db2.gz RKHUEAARZGZZIJ-ZJSXRUAMSA-N 1 1 486.636 2.717 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001286931521 1061557932 /nfs/dbraw/zinc/55/79/32/1061557932.db2.gz YELWIWBTCCAIDX-HSZRJFAPSA-N 1 1 496.635 2.763 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289878838 1061563599 /nfs/dbraw/zinc/56/35/99/1061563599.db2.gz KKTSRGDJEYDRQL-FQEVSTJZSA-N 1 1 472.659 2.706 20 0 JFADMO CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001294103159 1061582959 /nfs/dbraw/zinc/58/29/59/1061582959.db2.gz JHRSVOWZUJRBMA-HSZRJFAPSA-N 1 1 456.631 2.512 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286940610 1061583900 /nfs/dbraw/zinc/58/39/00/1061583900.db2.gz FIDLZXFBOCZBGH-UWJYYQICSA-N 1 1 461.010 2.672 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286940607 1061584084 /nfs/dbraw/zinc/58/40/84/1061584084.db2.gz FIDLZXFBOCZBGH-DYESRHJHSA-N 1 1 461.010 2.672 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001294105540 1061586936 /nfs/dbraw/zinc/58/69/36/1061586936.db2.gz YQZXOQRLMUDHHD-LEWJYISDSA-N 1 1 457.623 2.576 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001289906774 1061594602 /nfs/dbraw/zinc/59/46/02/1061594602.db2.gz WKPCWRMZQATDTE-ROUUACIJSA-N 1 1 459.620 2.892 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC001294117009 1061598923 /nfs/dbraw/zinc/59/89/23/1061598923.db2.gz DOTXMUGFJPTMDI-UHFFFAOYSA-N 1 1 450.580 2.678 20 0 JFADMO CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294120768 1061601234 /nfs/dbraw/zinc/60/12/34/1061601234.db2.gz NKMGTDRCAIQYTM-RXVVDRJESA-N 1 1 461.632 2.696 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286943595 1061604109 /nfs/dbraw/zinc/60/41/09/1061604109.db2.gz VAAGDCLWXXHHHJ-NLWGTHIKSA-N 1 1 458.582 2.546 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286943853 1061606346 /nfs/dbraw/zinc/60/63/46/1061606346.db2.gz DMRIUQTVXIMIDP-QHCPKHFHSA-N 1 1 498.672 2.937 20 0 JFADMO Cc1cc(N2CCC(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)nc(C)[nH+]1 ZINC001294125942 1061608754 /nfs/dbraw/zinc/60/87/54/1061608754.db2.gz GBNTWIWXGYSYHW-HSZRJFAPSA-N 1 1 458.566 2.615 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001289922312 1061615279 /nfs/dbraw/zinc/61/52/79/1061615279.db2.gz MFDVAVRVGMZAEG-GOSISDBHSA-N 1 1 492.550 2.884 20 0 JFADMO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294140201 1061626211 /nfs/dbraw/zinc/62/62/11/1061626211.db2.gz ZEFFHKWOLREWIV-PMACEKPBSA-N 1 1 480.654 2.934 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccn2C(F)F)n1 ZINC001289932926 1061626704 /nfs/dbraw/zinc/62/67/04/1061626704.db2.gz XIJDDOOZEFSAKR-CALCHBBNSA-N 1 1 460.533 2.834 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2nccn2C(F)F)n1 ZINC001289932926 1061626717 /nfs/dbraw/zinc/62/67/17/1061626717.db2.gz XIJDDOOZEFSAKR-CALCHBBNSA-N 1 1 460.533 2.834 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286945947 1061629093 /nfs/dbraw/zinc/62/90/93/1061629093.db2.gz NTHVUOUCNOLQNX-HYBUGGRVSA-N 1 1 468.646 2.873 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001286946312 1061633907 /nfs/dbraw/zinc/63/39/07/1061633907.db2.gz JRVNVIQWJJVQSH-XMMPIXPASA-N 1 1 496.656 2.758 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286947291 1061640885 /nfs/dbraw/zinc/64/08/85/1061640885.db2.gz SVEQMOLUNMMJOQ-RXVVDRJESA-N 1 1 474.675 2.782 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286947287 1061640930 /nfs/dbraw/zinc/64/09/30/1061640930.db2.gz SVEQMOLUNMMJOQ-GHTZIAJQSA-N 1 1 474.675 2.782 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948173 1061655274 /nfs/dbraw/zinc/65/52/74/1061655274.db2.gz ZVRPGOXJNVTYFX-FBLLAGFSSA-N 1 1 482.673 2.773 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001294164921 1061656096 /nfs/dbraw/zinc/65/60/96/1061656096.db2.gz GNCUCQUUXPCXFE-UHFFFAOYSA-N 1 1 496.704 2.889 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294164921 1061656109 /nfs/dbraw/zinc/65/61/09/1061656109.db2.gz GNCUCQUUXPCXFE-UHFFFAOYSA-N 1 1 496.704 2.889 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294164921 1061656119 /nfs/dbraw/zinc/65/61/19/1061656119.db2.gz GNCUCQUUXPCXFE-UHFFFAOYSA-N 1 1 496.704 2.889 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286948257 1061656371 /nfs/dbraw/zinc/65/63/71/1061656371.db2.gz VEVMYIVDTRWOAB-FQEVSTJZSA-N 1 1 460.648 2.560 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001294166437 1061662240 /nfs/dbraw/zinc/66/22/40/1061662240.db2.gz NZLFZMQGHDENOM-OAQYLSRUSA-N 1 1 487.693 2.874 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC001286948721 1061662841 /nfs/dbraw/zinc/66/28/41/1061662841.db2.gz VKXVXCCMTQRRSZ-HSZRJFAPSA-N 1 1 468.646 2.656 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286948787 1061663862 /nfs/dbraw/zinc/66/38/62/1061663862.db2.gz WVAYOCCAWAAHGF-NFBKMPQASA-N 1 1 498.031 2.562 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001294168564 1061667523 /nfs/dbraw/zinc/66/75/23/1061667523.db2.gz RLZODZQWLIKAFZ-FQEVSTJZSA-N 1 1 473.666 2.521 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001289971685 1061676180 /nfs/dbraw/zinc/67/61/80/1061676180.db2.gz FTXPGMSUUABSLG-WOJBJXKFSA-N 1 1 485.633 2.863 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)n1 ZINC001289972647 1061683194 /nfs/dbraw/zinc/68/31/94/1061683194.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)n1 ZINC001289972647 1061683202 /nfs/dbraw/zinc/68/32/02/1061683202.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CN(CC(C)C)CCO2)n1 ZINC001289972642 1061683274 /nfs/dbraw/zinc/68/32/74/1061683274.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 1 1 455.651 2.926 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CN(CC(C)C)CCO2)n1 ZINC001289972642 1061683284 /nfs/dbraw/zinc/68/32/84/1061683284.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 1 1 455.651 2.926 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001294190232 1061700345 /nfs/dbraw/zinc/70/03/45/1061700345.db2.gz UDZWVJOBGOGMGR-GOSISDBHSA-N 1 1 455.502 2.717 20 0 JFADMO CCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294196997 1061704744 /nfs/dbraw/zinc/70/47/44/1061704744.db2.gz SWMFUJUMQCHDMO-HSALFYBXSA-N 1 1 484.711 2.604 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201222 1061707545 /nfs/dbraw/zinc/70/75/45/1061707545.db2.gz IBFBNHZVFKSTMY-UZKOGDIHSA-N 1 1 455.603 2.966 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001294209052 1061712631 /nfs/dbraw/zinc/71/26/31/1061712631.db2.gz NFFVPIMMXRRXHR-SFHVURJKSA-N 1 1 495.719 2.591 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294210015 1061713930 /nfs/dbraw/zinc/71/39/30/1061713930.db2.gz FPKOAKQGCRNOCO-UHFFFAOYSA-N 1 1 469.634 2.581 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001294214015 1061721733 /nfs/dbraw/zinc/72/17/33/1061721733.db2.gz FWMRGTBGGZMVGE-HSZRJFAPSA-N 1 1 462.545 2.995 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294213994 1061721815 /nfs/dbraw/zinc/72/18/15/1061721815.db2.gz FJWNOUZBGWFDMP-INIZCTEOSA-N 1 1 487.468 2.781 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001294219597 1061731107 /nfs/dbraw/zinc/73/11/07/1061731107.db2.gz JZUACHPEVFIKQM-UHFFFAOYSA-N 1 1 456.639 2.639 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001294221877 1061731776 /nfs/dbraw/zinc/73/17/76/1061731776.db2.gz XQRUEQZKQSTXFR-UHFFFAOYSA-N 1 1 485.658 2.906 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294224351 1061734188 /nfs/dbraw/zinc/73/41/88/1061734188.db2.gz RIYYXSWZWZNCGD-JOCHJYFZSA-N 1 1 453.635 2.905 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734487 /nfs/dbraw/zinc/73/44/87/1061734487.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 1 1 482.677 2.515 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294224784 1061735905 /nfs/dbraw/zinc/73/59/05/1061735905.db2.gz ZNHLPQRCCFDTOP-GOSISDBHSA-N 1 1 462.668 2.992 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294225141 1061736488 /nfs/dbraw/zinc/73/64/88/1061736488.db2.gz BDBVMIHZKISBNC-GOSISDBHSA-N 1 1 474.572 2.799 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294225549 1061736573 /nfs/dbraw/zinc/73/65/73/1061736573.db2.gz FHCSGNCVSQVXRR-FGZHOGPDSA-N 1 1 459.660 2.981 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294225746 1061737375 /nfs/dbraw/zinc/73/73/75/1061737375.db2.gz HLZJOYWAUVXZDZ-JOCHJYFZSA-N 1 1 488.702 2.856 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294228424 1061743377 /nfs/dbraw/zinc/74/33/77/1061743377.db2.gz FHFRPFHHXXPQNU-GUDVDZBRSA-N 1 1 455.669 2.552 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001294228966 1061744941 /nfs/dbraw/zinc/74/49/41/1061744941.db2.gz JLGJFGSDDIHSAV-UHFFFAOYSA-N 1 1 499.635 2.624 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 ZINC001294229355 1061745638 /nfs/dbraw/zinc/74/56/38/1061745638.db2.gz NBUXXOBUABAVPL-UHFFFAOYSA-N 1 1 455.390 2.832 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294230662 1061747857 /nfs/dbraw/zinc/74/78/57/1061747857.db2.gz YZMHQDVSJAKUKE-MJGOQNOKSA-N 1 1 460.554 2.663 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001294233844 1061749407 /nfs/dbraw/zinc/74/94/07/1061749407.db2.gz ZNUUEJLLRKUYKV-TVJXPIDLSA-N 1 1 465.639 2.507 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001290037035 1061752414 /nfs/dbraw/zinc/75/24/14/1061752414.db2.gz ASQALIRUFFOFID-KTBRYMIGSA-N 1 1 459.660 2.960 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001290043852 1061760153 /nfs/dbraw/zinc/76/01/53/1061760153.db2.gz FGEWWJZDDZBOSQ-XUVXKRRUSA-N 1 1 463.648 2.908 20 0 JFADMO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC001290044842 1061761978 /nfs/dbraw/zinc/76/19/78/1061761978.db2.gz RJNHJJBRCVRBNM-OAQYLSRUSA-N 1 1 483.661 2.774 20 0 JFADMO Cc1ccccc1C[NH+]1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001290052706 1061770135 /nfs/dbraw/zinc/77/01/35/1061770135.db2.gz VZZPYYDLVVUUMA-UHFFFAOYSA-N 1 1 454.596 2.500 20 0 JFADMO CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294289738 1061776054 /nfs/dbraw/zinc/77/60/54/1061776054.db2.gz OQSGTBDFINMVQK-FQEVSTJZSA-N 1 1 470.618 2.799 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001290060456 1061781472 /nfs/dbraw/zinc/78/14/72/1061781472.db2.gz VRKRVFQUORNBML-PMACEKPBSA-N 1 1 454.619 2.988 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286976235 1061782064 /nfs/dbraw/zinc/78/20/64/1061782064.db2.gz CFIFSIWONALYHB-UHFFFAOYSA-N 1 1 489.064 2.939 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294312333 1061803857 /nfs/dbraw/zinc/80/38/57/1061803857.db2.gz YWTNUFVZVUZGBO-OAQYLSRUSA-N 1 1 471.650 2.670 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294312332 1061803902 /nfs/dbraw/zinc/80/39/02/1061803902.db2.gz YWTNUFVZVUZGBO-NRFANRHFSA-N 1 1 471.650 2.670 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294315145 1061806351 /nfs/dbraw/zinc/80/63/51/1061806351.db2.gz AEPXSIWMUMSZQO-HSALFYBXSA-N 1 1 453.653 2.798 20 0 JFADMO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001290082516 1061811487 /nfs/dbraw/zinc/81/14/87/1061811487.db2.gz ZWWZUMGALHRWRR-UHFFFAOYSA-N 1 1 452.607 2.916 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294316811 1061811413 /nfs/dbraw/zinc/81/14/13/1061811413.db2.gz IBLXNDACHGEMMC-ZPZUNKDASA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294317292 1061813934 /nfs/dbraw/zinc/81/39/34/1061813934.db2.gz KPEFYBFRRAHQJB-MHECFPHRSA-N 1 1 487.674 2.626 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294318974 1061820256 /nfs/dbraw/zinc/82/02/56/1061820256.db2.gz XPFUMLFORWFWER-BWKNWUBXSA-N 1 1 476.666 2.643 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294319703 1061822518 /nfs/dbraw/zinc/82/25/18/1061822518.db2.gz CRLNPKFBZIQPPI-KCPMXOJXSA-N 1 1 484.645 2.542 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294319706 1061822597 /nfs/dbraw/zinc/82/25/97/1061822597.db2.gz CRLNPKFBZIQPPI-UTAZYMRLSA-N 1 1 484.645 2.542 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001286983010 1061831594 /nfs/dbraw/zinc/83/15/94/1061831594.db2.gz VBDSWOWOQQOBIZ-FUHIMQAGSA-N 1 1 484.066 2.703 20 0 JFADMO O=C(NCCC[NH+]1CCOCC1)c1cccc(Br)c1I ZINC001290102696 1061831647 /nfs/dbraw/zinc/83/16/47/1061831647.db2.gz VFOLZDFGBVPFNM-UHFFFAOYSA-N 1 1 453.118 2.506 20 0 JFADMO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286983235 1061834009 /nfs/dbraw/zinc/83/40/09/1061834009.db2.gz XVYXUXFYSGXABG-VSKRKVRLSA-N 1 1 490.693 2.540 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294326086 1061834913 /nfs/dbraw/zinc/83/49/13/1061834913.db2.gz PNHJGBUTBFAVQA-VQTJNVASSA-N 1 1 471.650 2.905 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294326086 1061834927 /nfs/dbraw/zinc/83/49/27/1061834927.db2.gz PNHJGBUTBFAVQA-VQTJNVASSA-N 1 1 471.650 2.905 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290108197 1061835555 /nfs/dbraw/zinc/83/55/55/1061835555.db2.gz ZWSBNJRNIAGGSF-FQEVSTJZSA-N 1 1 454.619 2.717 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294327554 1061843869 /nfs/dbraw/zinc/84/38/69/1061843869.db2.gz ARLAQONVDAZVML-GPJHCHHRSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001294328443 1061845201 /nfs/dbraw/zinc/84/52/01/1061845201.db2.gz DBFUOKZRJCUIJG-DXBBTUNJSA-N 1 1 487.693 2.871 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294330795 1061850231 /nfs/dbraw/zinc/85/02/31/1061850231.db2.gz ANZBLNVHXNQDTA-FYYLOGMGSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294330795 1061850249 /nfs/dbraw/zinc/85/02/49/1061850249.db2.gz ANZBLNVHXNQDTA-FYYLOGMGSA-N 1 1 497.688 2.896 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290123474 1061853469 /nfs/dbraw/zinc/85/34/69/1061853469.db2.gz JANGMMKOLOYCBE-OAQYLSRUSA-N 1 1 454.619 2.669 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290123474 1061853478 /nfs/dbraw/zinc/85/34/78/1061853478.db2.gz JANGMMKOLOYCBE-OAQYLSRUSA-N 1 1 454.619 2.669 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294331665 1061855521 /nfs/dbraw/zinc/85/55/21/1061855521.db2.gz HDUXAQRZWHAZTC-AIUHUKMKSA-N 1 1 482.673 2.651 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCNS(C)(=O)=O ZINC001290129255 1061861700 /nfs/dbraw/zinc/86/17/00/1061861700.db2.gz JAEAPLVFOZBNAK-SFHVURJKSA-N 1 1 460.648 2.503 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290129976 1061864383 /nfs/dbraw/zinc/86/43/83/1061864383.db2.gz YADKCXXQCKTYCJ-UHFFFAOYSA-N 1 1 474.675 2.847 20 0 JFADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286987569 1061872347 /nfs/dbraw/zinc/87/23/47/1061872347.db2.gz WZFVBQAFUQLUFN-TZIWHRDSSA-N 1 1 460.667 2.771 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCC[NH+]2CCOCC2)C1 ZINC001294338370 1061880127 /nfs/dbraw/zinc/88/01/27/1061880127.db2.gz UDOHHCNXNIMHHO-HXUWFJFHSA-N 1 1 458.607 2.702 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCOCCCO)cc1 ZINC001286989466 1061880892 /nfs/dbraw/zinc/88/08/92/1061880892.db2.gz JCXWNYVHZDTGLD-NRFANRHFSA-N 1 1 471.646 2.800 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCn2cc[nH+]c2C)C1 ZINC001294339252 1061883440 /nfs/dbraw/zinc/88/34/40/1061883440.db2.gz ZURATBMNGMLSBA-SIKLNZKXSA-N 1 1 481.649 2.866 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001286990686 1061886789 /nfs/dbraw/zinc/88/67/89/1061886789.db2.gz QJUIDJNNGDZOEO-QFIPXVFZSA-N 1 1 489.686 2.714 20 0 JFADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001290146390 1061887624 /nfs/dbraw/zinc/88/76/24/1061887624.db2.gz YWPKZRQTUUOFKQ-UHFFFAOYSA-N 1 1 475.641 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294341582 1061889234 /nfs/dbraw/zinc/88/92/34/1061889234.db2.gz ICDPHSMCXPDJID-CTNGQTDRSA-N 1 1 470.666 2.932 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001286991253 1061889958 /nfs/dbraw/zinc/88/99/58/1061889958.db2.gz SFHJABJULQQOKY-JOCHJYFZSA-N 1 1 498.672 2.560 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001294341784 1061890896 /nfs/dbraw/zinc/89/08/96/1061890896.db2.gz KGIKNHDUVWGJNZ-IBGZPJMESA-N 1 1 454.623 2.742 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001286995668 1061907610 /nfs/dbraw/zinc/90/76/10/1061907610.db2.gz OKUFTRZNSDJTKV-HNNXBMFYSA-N 1 1 467.540 2.930 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001290166827 1061909674 /nfs/dbraw/zinc/90/96/74/1061909674.db2.gz LBPRUGKSSHWTIE-FCHUYYIVSA-N 1 1 488.702 2.769 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC(C)(C)O ZINC001290173069 1061917733 /nfs/dbraw/zinc/91/77/33/1061917733.db2.gz IDILFXOLXNAUES-UHFFFAOYSA-N 1 1 451.619 2.784 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCOCC2)CC1 ZINC001294356979 1061924160 /nfs/dbraw/zinc/92/41/60/1061924160.db2.gz DFNAEPHMMMXGMU-UHFFFAOYSA-N 1 1 469.634 2.504 20 0 JFADMO Cc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001290179777 1061926663 /nfs/dbraw/zinc/92/66/63/1061926663.db2.gz DYTRNHKQFJDIBZ-OAQYLSRUSA-N 1 1 454.619 2.516 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287006716 1061928001 /nfs/dbraw/zinc/92/80/01/1061928001.db2.gz ZMSVGRQMASLCOL-UHFFFAOYSA-N 1 1 454.619 2.650 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294358847 1061929784 /nfs/dbraw/zinc/92/97/84/1061929784.db2.gz RXLVAMWXFKUALJ-DEOSSOPVSA-N 1 1 475.037 2.798 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CSCCS1 ZINC001287009457 1061938025 /nfs/dbraw/zinc/93/80/25/1061938025.db2.gz UHOPGTIFJGGLGU-CTNGQTDRSA-N 1 1 491.727 2.986 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290198531 1061939190 /nfs/dbraw/zinc/93/91/90/1061939190.db2.gz CGSSBWVIAQPLRE-LEWJYISDSA-N 1 1 454.619 2.920 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCO1 ZINC001287009962 1061939597 /nfs/dbraw/zinc/93/95/97/1061939597.db2.gz ZLORWWJSJJSFLZ-RBBKRZOGSA-N 1 1 457.619 2.707 20 0 JFADMO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287013527 1061946904 /nfs/dbraw/zinc/94/69/04/1061946904.db2.gz BOYKEQHOSQHVTC-OALUTQOASA-N 1 1 474.675 2.989 20 0 JFADMO Cc1ccccc1OCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290206915 1061953143 /nfs/dbraw/zinc/95/31/43/1061953143.db2.gz VUDGYBRDWNCLQC-UHFFFAOYSA-N 1 1 484.645 2.839 20 0 JFADMO Cc1ccccc1OCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290206915 1061953173 /nfs/dbraw/zinc/95/31/73/1061953173.db2.gz VUDGYBRDWNCLQC-UHFFFAOYSA-N 1 1 484.645 2.839 20 0 JFADMO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001294414880 1061980561 /nfs/dbraw/zinc/98/05/61/1061980561.db2.gz QHKDFHYMFKBTLI-BGYRXZFFSA-N 1 1 451.633 2.726 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287032464 1061987151 /nfs/dbraw/zinc/98/71/51/1061987151.db2.gz NFBGNCJILMVXMU-FQEVSTJZSA-N 1 1 474.675 2.737 20 0 JFADMO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001290254048 1061990533 /nfs/dbraw/zinc/99/05/33/1061990533.db2.gz MJGAXZAQLJNCHV-IBGZPJMESA-N 1 1 458.632 2.836 20 0 JFADMO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001290254749 1061991273 /nfs/dbraw/zinc/99/12/73/1061991273.db2.gz VCDGLMIBEULYRO-SFHVURJKSA-N 1 1 458.632 2.835 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001287034177 1061994830 /nfs/dbraw/zinc/99/48/30/1061994830.db2.gz HZPADEAVMUUPOX-PZJWPPBQSA-N 1 1 493.599 2.853 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294453776 1061998645 /nfs/dbraw/zinc/99/86/45/1061998645.db2.gz GKUMLGOLCQFRKB-MSOLQXFVSA-N 1 1 475.663 2.894 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)c2ccccc2)C1 ZINC001294454113 1062000399 /nfs/dbraw/zinc/00/03/99/1062000399.db2.gz OARVWMHPXXRYRB-OAQYLSRUSA-N 1 1 453.635 2.819 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455526 1062002940 /nfs/dbraw/zinc/00/29/40/1062002940.db2.gz FIMDUAFPKLCIHF-NLFFAJNJSA-N 1 1 488.681 2.882 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001294455673 1062003317 /nfs/dbraw/zinc/00/33/17/1062003317.db2.gz YBEFYIVMEPHADU-KRWDZBQOSA-N 1 1 474.679 2.880 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001287038030 1062004607 /nfs/dbraw/zinc/00/46/07/1062004607.db2.gz SOHPTLKIJSJPPM-PGRDOPGGSA-N 1 1 467.536 2.838 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001287038030 1062004632 /nfs/dbraw/zinc/00/46/32/1062004632.db2.gz SOHPTLKIJSJPPM-PGRDOPGGSA-N 1 1 467.536 2.838 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001294458993 1062005882 /nfs/dbraw/zinc/00/58/82/1062005882.db2.gz RSEYPEOOZCIOOW-INIZCTEOSA-N 1 1 476.427 2.886 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCO2)C1 ZINC001294459594 1062006655 /nfs/dbraw/zinc/00/66/55/1062006655.db2.gz VAEUVNNTTCFUNX-UYAOXDASSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)C1 ZINC001294460405 1062008479 /nfs/dbraw/zinc/00/84/79/1062008479.db2.gz ZUCDEAGZBBQHDF-OAHLLOKOSA-N 1 1 480.455 2.976 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294461107 1062009868 /nfs/dbraw/zinc/00/98/68/1062009868.db2.gz ROURTHCWPWVHRG-OALUTQOASA-N 1 1 461.632 2.557 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)c2)CC1 ZINC001294462100 1062011669 /nfs/dbraw/zinc/01/16/69/1062011669.db2.gz AYIYHJMTHYGIGD-UHFFFAOYSA-N 1 1 456.493 2.639 20 0 JFADMO CC[C@@]1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC001294462299 1062012079 /nfs/dbraw/zinc/01/20/79/1062012079.db2.gz DFUCCCVTHZSAEI-RUZDIDTESA-N 1 1 458.603 2.979 20 0 JFADMO Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC001290286226 1062014361 /nfs/dbraw/zinc/01/43/61/1062014361.db2.gz FOMWRDOMSSMMBT-JOCHJYFZSA-N 1 1 481.645 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465977 1062015261 /nfs/dbraw/zinc/01/52/61/1062015261.db2.gz AIOXZKZHQGWMQV-DHIUTWEWSA-N 1 1 489.686 2.933 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467554 1062016979 /nfs/dbraw/zinc/01/69/79/1062016979.db2.gz GWIKKUJZYRJLNO-PZJWPPBQSA-N 1 1 475.659 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468079 1062017505 /nfs/dbraw/zinc/01/75/05/1062017505.db2.gz KILTVIMFZGCXNQ-YADHBBJMSA-N 1 1 454.619 2.609 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468736 1062018868 /nfs/dbraw/zinc/01/88/68/1062018868.db2.gz PBPAVIWDRMKTDY-NHCUHLMSSA-N 1 1 462.639 2.819 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469075 1062020760 /nfs/dbraw/zinc/02/07/60/1062020760.db2.gz UICNOLMJQXBMMH-FCHUYYIVSA-N 1 1 459.660 2.899 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045111 1062021997 /nfs/dbraw/zinc/02/19/97/1062021997.db2.gz JCUOJHBVFPLALA-RTBURBONSA-N 1 1 488.599 2.746 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294469939 1062023591 /nfs/dbraw/zinc/02/35/91/1062023591.db2.gz IQFOMZYPCXPOSH-PZJWPPBQSA-N 1 1 490.674 2.596 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 ZINC001294469982 1062023641 /nfs/dbraw/zinc/02/36/41/1062023641.db2.gz JHDDHIMUDZVXSJ-GOSISDBHSA-N 1 1 458.582 2.765 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001294474143 1062025992 /nfs/dbraw/zinc/02/59/92/1062025992.db2.gz NGNMMQFTFYCIDF-DENIHFKCSA-N 1 1 468.646 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)C1 ZINC001294473355 1062026287 /nfs/dbraw/zinc/02/62/87/1062026287.db2.gz LYNLZCSUMYUWDY-NRFANRHFSA-N 1 1 453.635 2.835 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001294474144 1062027016 /nfs/dbraw/zinc/02/70/16/1062027016.db2.gz NGNMMQFTFYCIDF-KNQAVFIVSA-N 1 1 468.646 2.960 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001287046846 1062030572 /nfs/dbraw/zinc/03/05/72/1062030572.db2.gz WKUXPRXEYGSYTJ-OAQYLSRUSA-N 1 1 490.674 2.809 20 0 JFADMO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O ZINC001294480492 1062030645 /nfs/dbraw/zinc/03/06/45/1062030645.db2.gz FXWTVGSSCOMSNL-QFBILLFUSA-N 1 1 459.543 2.808 20 0 JFADMO CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001294497649 1062035332 /nfs/dbraw/zinc/03/53/32/1062035332.db2.gz NDJZSRILFSBIOO-KNQAVFIVSA-N 1 1 475.659 2.686 20 0 JFADMO CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001294497649 1062035348 /nfs/dbraw/zinc/03/53/48/1062035348.db2.gz NDJZSRILFSBIOO-KNQAVFIVSA-N 1 1 475.659 2.686 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294505156 1062040253 /nfs/dbraw/zinc/04/02/53/1062040253.db2.gz HHDDVVIRSVMNKK-LJQANCHMSA-N 1 1 455.607 2.581 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294505141 1062040439 /nfs/dbraw/zinc/04/04/39/1062040439.db2.gz GPJMCFYWDTUION-IBGZPJMESA-N 1 1 455.607 2.546 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001294505474 1062040991 /nfs/dbraw/zinc/04/09/91/1062040991.db2.gz JWZSKNXXWMMMDP-QZTJIDSGSA-N 1 1 460.554 2.930 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001294505454 1062041065 /nfs/dbraw/zinc/04/10/65/1062041065.db2.gz JLPKIOPIESBMCL-UHFFFAOYSA-N 1 1 487.624 2.720 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294506175 1062042784 /nfs/dbraw/zinc/04/27/84/1062042784.db2.gz HIVGKUJDXYOCDM-INIZCTEOSA-N 1 1 480.455 2.835 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294507275 1062044448 /nfs/dbraw/zinc/04/44/48/1062044448.db2.gz QEJYPXQENJUEDM-UHFFFAOYSA-N 1 1 495.628 2.596 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294508129 1062046027 /nfs/dbraw/zinc/04/60/27/1062046027.db2.gz YABLMAGIUJISOW-KRWDZBQOSA-N 1 1 469.055 2.801 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001294513722 1062048634 /nfs/dbraw/zinc/04/86/34/1062048634.db2.gz JOXCOZIYCDSGEB-SFHVURJKSA-N 1 1 455.611 2.590 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001294513721 1062048826 /nfs/dbraw/zinc/04/88/26/1062048826.db2.gz JOXCOZIYCDSGEB-GOSISDBHSA-N 1 1 455.611 2.590 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001294514736 1062050018 /nfs/dbraw/zinc/05/00/18/1062050018.db2.gz BQIVTWZYIJNLJO-JOCHJYFZSA-N 1 1 481.645 2.702 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001294516535 1062054340 /nfs/dbraw/zinc/05/43/40/1062054340.db2.gz VHKAMAODPVVPND-QZTJIDSGSA-N 1 1 463.652 2.584 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001294521461 1062057419 /nfs/dbraw/zinc/05/74/19/1062057419.db2.gz NKAUQRXBBLBKNW-OALUTQOASA-N 1 1 461.611 2.988 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001294521975 1062058155 /nfs/dbraw/zinc/05/81/55/1062058155.db2.gz IXTHDAQOAMMPRB-NRFANRHFSA-N 1 1 492.665 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001294522886 1062058569 /nfs/dbraw/zinc/05/85/69/1062058569.db2.gz WGHLZCLUXWSZRR-KNKQGSTJSA-N 1 1 459.591 2.763 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)NC)CC1 ZINC001294526252 1062063228 /nfs/dbraw/zinc/06/32/28/1062063228.db2.gz UQSIERSXKOCEQU-UHFFFAOYSA-N 1 1 456.591 2.758 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001294529731 1062065967 /nfs/dbraw/zinc/06/59/67/1062065967.db2.gz OPSPIKSREFBZTK-UHFFFAOYSA-N 1 1 474.675 2.562 20 0 JFADMO Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC001290371928 1062075531 /nfs/dbraw/zinc/07/55/31/1062075531.db2.gz MSWYWSDESCRZKJ-HXUWFJFHSA-N 1 1 461.680 2.754 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001294551350 1062075896 /nfs/dbraw/zinc/07/58/96/1062075896.db2.gz RYRLOBQNAVWGIA-YDIMBITNSA-N 1 1 462.639 2.742 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001290373050 1062076977 /nfs/dbraw/zinc/07/69/77/1062076977.db2.gz ZLEHGJOFRMECDN-IBGZPJMESA-N 1 1 454.575 2.854 20 0 JFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC001294556572 1062078137 /nfs/dbraw/zinc/07/81/37/1062078137.db2.gz VONHRJQZQQWYBV-UXHICEINSA-N 1 1 459.616 2.782 20 0 JFADMO CCCN(CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001294579190 1062090144 /nfs/dbraw/zinc/09/01/44/1062090144.db2.gz BAGGNGYHQIAXEF-FQEVSTJZSA-N 1 1 489.665 2.836 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC001290388681 1062092230 /nfs/dbraw/zinc/09/22/30/1062092230.db2.gz UZCWQRZQPZUNCB-MOPGFXCFSA-N 1 1 450.678 2.812 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@@H]3CCSC3)n2CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC001290388683 1062093008 /nfs/dbraw/zinc/09/30/08/1062093008.db2.gz UZCWQRZQPZUNCB-RBUKOAKNSA-N 1 1 450.678 2.812 20 0 JFADMO CCCN(CCn1c(COCC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001294586021 1062097609 /nfs/dbraw/zinc/09/76/09/1062097609.db2.gz VAXJEQOHDALRCK-DEOSSOPVSA-N 1 1 480.654 2.763 20 0 JFADMO CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001287061575 1062098079 /nfs/dbraw/zinc/09/80/79/1062098079.db2.gz METZGJDWCHHOSV-UHFFFAOYSA-N 1 1 468.606 2.738 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCc2nccs2)cs1 ZINC001290401644 1062105341 /nfs/dbraw/zinc/10/53/41/1062105341.db2.gz RVPIHWFBLNTUCD-UHFFFAOYSA-N 1 1 461.661 2.880 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCc2nccs2)cs1 ZINC001290401644 1062105358 /nfs/dbraw/zinc/10/53/58/1062105358.db2.gz RVPIHWFBLNTUCD-UHFFFAOYSA-N 1 1 461.661 2.880 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001294602069 1062111058 /nfs/dbraw/zinc/11/10/58/1062111058.db2.gz HOEPAYKIGCSXLH-UHFFFAOYSA-N 1 1 470.618 2.897 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001294602069 1062111070 /nfs/dbraw/zinc/11/10/70/1062111070.db2.gz HOEPAYKIGCSXLH-UHFFFAOYSA-N 1 1 470.618 2.897 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290404312 1062113028 /nfs/dbraw/zinc/11/30/28/1062113028.db2.gz HLKCUVOJBSAPAW-FXAWDEMLSA-N 1 1 462.664 2.994 20 0 JFADMO CCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294609409 1062118620 /nfs/dbraw/zinc/11/86/20/1062118620.db2.gz XATLILYPFJXBEM-HDICACEKSA-N 1 1 453.591 2.630 20 0 JFADMO CCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294609409 1062118626 /nfs/dbraw/zinc/11/86/26/1062118626.db2.gz XATLILYPFJXBEM-HDICACEKSA-N 1 1 453.591 2.630 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287064841 1062130007 /nfs/dbraw/zinc/13/00/07/1062130007.db2.gz ZQXSQQAOCKNFLL-IBGZPJMESA-N 1 1 471.606 2.554 20 0 JFADMO CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294626329 1062133792 /nfs/dbraw/zinc/13/37/92/1062133792.db2.gz VTIRJNNWXAMKGP-UHFFFAOYSA-N 1 1 459.664 2.674 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)C1 ZINC001294632200 1062140261 /nfs/dbraw/zinc/14/02/61/1062140261.db2.gz GEIHUVOTIJBTRV-RTWAWAEBSA-N 1 1 456.639 2.803 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)C1 ZINC001294633070 1062142169 /nfs/dbraw/zinc/14/21/69/1062142169.db2.gz LGVCXIMXHHIJII-ZDQHKECQSA-N 1 1 476.666 2.701 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001294633544 1062143351 /nfs/dbraw/zinc/14/33/51/1062143351.db2.gz PNBIYPMRWQNPFG-NRFANRHFSA-N 1 1 467.618 2.548 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294633502 1062143390 /nfs/dbraw/zinc/14/33/90/1062143390.db2.gz OZHDLKWNXMFAPQ-KBMIEXCESA-N 1 1 467.618 2.581 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294633959 1062144446 /nfs/dbraw/zinc/14/44/46/1062144446.db2.gz QMUIONKZAVYTIS-VQTJNVASSA-N 1 1 489.665 2.692 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCn2cc[nH+]c2C)cs1 ZINC001290417777 1062147448 /nfs/dbraw/zinc/14/74/48/1062147448.db2.gz SSDZHOSJGXFUJJ-UHFFFAOYSA-N 1 1 456.620 2.580 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290418161 1062149898 /nfs/dbraw/zinc/14/98/98/1062149898.db2.gz QQNOLZOAPFALHS-QFIPXVFZSA-N 1 1 476.691 2.980 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001294637025 1062149905 /nfs/dbraw/zinc/14/99/05/1062149905.db2.gz AKACAQIJCYYCPJ-FQEVSTJZSA-N 1 1 496.660 2.741 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001294637735 1062152130 /nfs/dbraw/zinc/15/21/30/1062152130.db2.gz LPZVNDFPNHWFFG-QZTJIDSGSA-N 1 1 452.669 2.803 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC001294639331 1062154304 /nfs/dbraw/zinc/15/43/04/1062154304.db2.gz SJTJDPPPBDOSLO-TYPHKJRUSA-N 1 1 492.665 2.828 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)C1 ZINC001294639822 1062155532 /nfs/dbraw/zinc/15/55/32/1062155532.db2.gz XNMGVYNGXUYZCI-RBUKOAKNSA-N 1 1 452.669 2.781 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294640630 1062157335 /nfs/dbraw/zinc/15/73/35/1062157335.db2.gz DSPRXPCNNDQAQW-FYYLOGMGSA-N 1 1 468.646 2.847 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294640631 1062157361 /nfs/dbraw/zinc/15/73/61/1062157361.db2.gz DSPRXPCNNDQAQW-GGAORHGYSA-N 1 1 468.646 2.847 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294640633 1062157519 /nfs/dbraw/zinc/15/75/19/1062157519.db2.gz DSPRXPCNNDQAQW-JTHBVZDNSA-N 1 1 468.646 2.847 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC=C(c3ccccc3)C2)C1 ZINC001294641087 1062159794 /nfs/dbraw/zinc/15/97/94/1062159794.db2.gz JIWXJHSSWBUSRT-PMACEKPBSA-N 1 1 472.659 2.914 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC=C(c3ccccc3)C2)C1 ZINC001294641090 1062160395 /nfs/dbraw/zinc/16/03/95/1062160395.db2.gz JIWXJHSSWBUSRT-WOJBJXKFSA-N 1 1 472.659 2.914 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001294641298 1062161858 /nfs/dbraw/zinc/16/18/58/1062161858.db2.gz LSQBQXYYQHINAN-QYZOEREBSA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294641312 1062162036 /nfs/dbraw/zinc/16/20/36/1062162036.db2.gz LWXIBTRLWBARBC-FHWLQOOXSA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001294641297 1062162120 /nfs/dbraw/zinc/16/21/20/1062162120.db2.gz LSQBQXYYQHINAN-QRVBRYPASA-N 1 1 458.582 2.956 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001290423142 1062163421 /nfs/dbraw/zinc/16/34/21/1062163421.db2.gz GUJZGIXJVVMUBO-IEBWSBKVSA-N 1 1 459.664 2.990 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001294642298 1062165237 /nfs/dbraw/zinc/16/52/37/1062165237.db2.gz UDLLPDLLDJKXKV-KRWDZBQOSA-N 1 1 494.482 2.986 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn(CCO)c3-c3ccccc3)C2)cc(OC)c1 ZINC001294644694 1062170910 /nfs/dbraw/zinc/17/09/10/1062170910.db2.gz DSTFXWYIQGHWAZ-HXUWFJFHSA-N 1 1 450.539 2.564 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnn(CCO)c3-c3ccccc3)C2)cc(OC)c1 ZINC001294644694 1062170918 /nfs/dbraw/zinc/17/09/18/1062170918.db2.gz DSTFXWYIQGHWAZ-HXUWFJFHSA-N 1 1 450.539 2.564 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646623 1062177297 /nfs/dbraw/zinc/17/72/97/1062177297.db2.gz XEYNMDUIXBPYLP-CTNGQTDRSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646623 1062177307 /nfs/dbraw/zinc/17/73/07/1062177307.db2.gz XEYNMDUIXBPYLP-CTNGQTDRSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCn3cnc4c(C)cccc4c3=O)C2)cc(OC)c1 ZINC001294646612 1062177341 /nfs/dbraw/zinc/17/73/41/1062177341.db2.gz WWRQXFXTWHCTND-LJQANCHMSA-N 1 1 450.539 2.503 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)CCn3cnc4c(C)cccc4c3=O)C2)cc(OC)c1 ZINC001294646612 1062177355 /nfs/dbraw/zinc/17/73/55/1062177355.db2.gz WWRQXFXTWHCTND-LJQANCHMSA-N 1 1 450.539 2.503 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294647189 1062181769 /nfs/dbraw/zinc/18/17/69/1062181769.db2.gz DBWQMGMZJJKKRR-LEWJYISDSA-N 1 1 474.675 2.751 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294647465 1062182753 /nfs/dbraw/zinc/18/27/53/1062182753.db2.gz DAFICFNLUREZNX-GOSISDBHSA-N 1 1 492.571 2.573 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294647394 1062182831 /nfs/dbraw/zinc/18/28/31/1062182831.db2.gz FYADDLIDTDTRHP-IBGZPJMESA-N 1 1 454.623 2.702 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294647395 1062182858 /nfs/dbraw/zinc/18/28/58/1062182858.db2.gz FYADDLIDTDTRHP-LJQANCHMSA-N 1 1 454.623 2.702 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2CCS(=O)(=O)CC2)cs1 ZINC001290429170 1062183575 /nfs/dbraw/zinc/18/35/75/1062183575.db2.gz WVBLGWVBMHFCLG-UHFFFAOYSA-N 1 1 480.704 2.769 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2([S@@](C)=O)CCC2)cs1 ZINC001290429256 1062184617 /nfs/dbraw/zinc/18/46/17/1062184617.db2.gz ZRXIFOMSOMKOOK-SSEXGKCCSA-N 1 1 450.678 2.856 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294648462 1062187145 /nfs/dbraw/zinc/18/71/45/1062187145.db2.gz RFTXCOBJDFZERJ-PMACEKPBSA-N 1 1 485.633 2.802 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294648465 1062187839 /nfs/dbraw/zinc/18/78/39/1062187839.db2.gz RFTXCOBJDFZERJ-WOJBJXKFSA-N 1 1 485.633 2.802 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658020 1062203110 /nfs/dbraw/zinc/20/31/10/1062203110.db2.gz NOHKCOVHJHMEAA-SLFFLAALSA-N 1 1 478.638 2.544 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2c(C)noc2C)cs1 ZINC001290435256 1062203828 /nfs/dbraw/zinc/20/38/28/1062203828.db2.gz LFZPHODZSLYTBU-UHFFFAOYSA-N 1 1 459.620 2.834 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658360 1062203901 /nfs/dbraw/zinc/20/39/01/1062203901.db2.gz PBZQGQARWROPGD-RBUKOAKNSA-N 1 1 479.622 2.696 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658358 1062204089 /nfs/dbraw/zinc/20/40/89/1062204089.db2.gz PBZQGQARWROPGD-OALUTQOASA-N 1 1 479.622 2.696 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCN(C)CC(F)(F)F)cs1 ZINC001290435669 1062206296 /nfs/dbraw/zinc/20/62/96/1062206296.db2.gz XKIGNYPHYICTDM-QGZVFWFLSA-N 1 1 457.570 2.802 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659055 1062206673 /nfs/dbraw/zinc/20/66/73/1062206673.db2.gz UKHNZRACJNKLQY-SJORKVTESA-N 1 1 452.554 2.745 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001294659162 1062207161 /nfs/dbraw/zinc/20/71/61/1062207161.db2.gz UGYKKAGYIYQSAB-AABGKKOBSA-N 1 1 462.639 2.960 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290440791 1062210450 /nfs/dbraw/zinc/21/04/50/1062210450.db2.gz XGKNKOMFHZSCQJ-QFBILLFUSA-N 1 1 450.678 2.932 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290440872 1062211173 /nfs/dbraw/zinc/21/11/73/1062211173.db2.gz YMRCIEVLQUABKZ-QFBILLFUSA-N 1 1 477.704 2.518 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC001294661344 1062212321 /nfs/dbraw/zinc/21/23/21/1062212321.db2.gz LFVDGDMOAXLEMG-OAQYLSRUSA-N 1 1 456.610 2.993 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294661541 1062212429 /nfs/dbraw/zinc/21/24/29/1062212429.db2.gz QHPOAJCGXMAURD-IRLDBZIGSA-N 1 1 475.037 2.596 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)C1 ZINC001294661676 1062212966 /nfs/dbraw/zinc/21/29/66/1062212966.db2.gz SZHOJVUQUXYUAQ-QKNQBKEWSA-N 1 1 476.021 2.614 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001294661924 1062213422 /nfs/dbraw/zinc/21/34/22/1062213422.db2.gz CNNURWAIYXRRHD-DHIUTWEWSA-N 1 1 467.662 2.984 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294661828 1062213466 /nfs/dbraw/zinc/21/34/66/1062213466.db2.gz WVXRIPWLZBYEBZ-PKOBYXMFSA-N 1 1 460.573 2.936 20 0 JFADMO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001294662302 1062214313 /nfs/dbraw/zinc/21/43/13/1062214313.db2.gz KCWABJANJPDYAX-NRFANRHFSA-N 1 1 455.651 2.543 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294663136 1062216053 /nfs/dbraw/zinc/21/60/53/1062216053.db2.gz RFVBMDHBZDFIGH-OAQYLSRUSA-N 1 1 468.650 2.626 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294665621 1062217947 /nfs/dbraw/zinc/21/79/47/1062217947.db2.gz ZRQKUGIBCZPTIO-AZUAARDMSA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294667290 1062221089 /nfs/dbraw/zinc/22/10/89/1062221089.db2.gz WSMCQKQEBXEZCC-CPJSRVTESA-N 1 1 454.619 2.908 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294667383 1062221568 /nfs/dbraw/zinc/22/15/68/1062221568.db2.gz ZEHRZBBQFRIVRQ-VQTJNVASSA-N 1 1 470.618 2.655 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667538 1062222511 /nfs/dbraw/zinc/22/25/11/1062222511.db2.gz APCIEFTWTNFPNS-FGZHOGPDSA-N 1 1 459.660 2.809 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)C)CC2)C1 ZINC001294668480 1062223304 /nfs/dbraw/zinc/22/33/04/1062223304.db2.gz GVEFZPVAYJZGMC-LJQANCHMSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)C)CC2)C1 ZINC001294668480 1062223322 /nfs/dbraw/zinc/22/33/22/1062223322.db2.gz GVEFZPVAYJZGMC-LJQANCHMSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670077 1062226218 /nfs/dbraw/zinc/22/62/18/1062226218.db2.gz OOIGERSRQNAQAR-LEWJYISDSA-N 1 1 487.693 2.511 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294670114 1062226767 /nfs/dbraw/zinc/22/67/67/1062226767.db2.gz PECISADPJVYRAT-QHCPKHFHSA-N 1 1 488.702 2.657 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294670093 1062226833 /nfs/dbraw/zinc/22/68/33/1062226833.db2.gz OSYYKVFIPQGMLW-SFTDATJTSA-N 1 1 454.619 2.908 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294670331 1062227964 /nfs/dbraw/zinc/22/79/64/1062227964.db2.gz SFYKNURNSMXBGW-QFIPXVFZSA-N 1 1 453.635 2.647 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001294671493 1062230305 /nfs/dbraw/zinc/23/03/05/1062230305.db2.gz XBZGVWCFHLLEMA-LJQANCHMSA-N 1 1 489.665 2.626 20 0 JFADMO Cc1nc(CCn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cs1 ZINC001290454824 1062232751 /nfs/dbraw/zinc/23/27/51/1062232751.db2.gz UQTKYXRVXMCZLX-UHFFFAOYSA-N 1 1 456.620 2.537 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684613 1062244939 /nfs/dbraw/zinc/24/49/39/1062244939.db2.gz VAFUFMOGVNTTJV-QHAWAJNXSA-N 1 1 462.683 2.980 20 0 JFADMO CCC(CC)[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)[NH+]1CCOCC1 ZINC001290464470 1062248547 /nfs/dbraw/zinc/24/85/47/1062248547.db2.gz YISBRURIJBFNLD-FQEVSTJZSA-N 1 1 458.024 2.747 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC ZINC001294693788 1062253315 /nfs/dbraw/zinc/25/33/15/1062253315.db2.gz IFHJOZFTKUDBGL-KRWDZBQOSA-N 1 1 480.455 2.883 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001294695022 1062255977 /nfs/dbraw/zinc/25/59/77/1062255977.db2.gz XUSGTPBAPLIKTA-NRFANRHFSA-N 1 1 488.706 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294695952 1062257003 /nfs/dbraw/zinc/25/70/03/1062257003.db2.gz BEZVGZAHZZCNRV-FCHUYYIVSA-N 1 1 454.619 2.859 20 0 JFADMO CC(C)(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001287085094 1062257084 /nfs/dbraw/zinc/25/70/84/1062257084.db2.gz YHWIOBQGOFVFRX-UHFFFAOYSA-N 1 1 474.675 2.932 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001294696557 1062258813 /nfs/dbraw/zinc/25/88/13/1062258813.db2.gz SITOXCUBHASIQP-HXUWFJFHSA-N 1 1 472.638 2.723 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697614 1062259845 /nfs/dbraw/zinc/25/98/45/1062259845.db2.gz VCGZRQWBYBWNAX-YYIAUSFCSA-N 1 1 480.601 2.787 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001294699370 1062263283 /nfs/dbraw/zinc/26/32/83/1062263283.db2.gz PFKFOTZAPHXDQS-KRWDZBQOSA-N 1 1 452.529 2.684 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001294705594 1062268538 /nfs/dbraw/zinc/26/85/38/1062268538.db2.gz BWNGYOSQGJGDNI-BDTNDASRSA-N 1 1 496.722 2.748 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001294706712 1062270278 /nfs/dbraw/zinc/27/02/78/1062270278.db2.gz CROMTXIFAQKWMD-VQTJNVASSA-N 1 1 487.674 2.639 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708584 1062275561 /nfs/dbraw/zinc/27/55/61/1062275561.db2.gz SMQYPJUZHFMSKO-IFMALSPDSA-N 1 1 496.722 2.687 20 0 JFADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001290489301 1062275914 /nfs/dbraw/zinc/27/59/14/1062275914.db2.gz OMBJQQSZUIAQDS-MBSDFSHPSA-N 1 1 491.662 2.818 20 0 JFADMO CC(C)(C)[S@](=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1 ZINC001287089405 1062276223 /nfs/dbraw/zinc/27/62/23/1062276223.db2.gz QAEYPINGJGRGHJ-JGCGQSQUSA-N 1 1 458.676 2.790 20 0 JFADMO Cc1ncc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC001290490634 1062279005 /nfs/dbraw/zinc/27/90/05/1062279005.db2.gz GKCFZQFWDQVFHY-QGZVFWFLSA-N 1 1 466.677 2.552 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712119 1062280711 /nfs/dbraw/zinc/28/07/11/1062280711.db2.gz PSSAOSBNDXJLQX-FKBYEOEOSA-N 1 1 476.666 2.571 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294712098 1062280865 /nfs/dbraw/zinc/28/08/65/1062280865.db2.gz PNRCSEBUXOGFCX-HXUWFJFHSA-N 1 1 473.597 2.722 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294713389 1062285491 /nfs/dbraw/zinc/28/54/91/1062285491.db2.gz VTRGGFPRIHCHAC-ROKPMTFOSA-N 1 1 463.623 2.584 20 0 JFADMO CC(C)(Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC001287092329 1062287448 /nfs/dbraw/zinc/28/74/48/1062287448.db2.gz AHBZPSRYFKTROX-MOPGFXCFSA-N 1 1 497.562 2.932 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287092357 1062288329 /nfs/dbraw/zinc/28/83/29/1062288329.db2.gz AVRDILARUBCRPK-PMACEKPBSA-N 1 1 492.665 2.982 20 0 JFADMO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)s1 ZINC001290497241 1062288735 /nfs/dbraw/zinc/28/87/35/1062288735.db2.gz FBFMGQMPBCFFHS-UHFFFAOYSA-N 1 1 488.750 2.936 20 0 JFADMO CC(C)(Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287094456 1062294937 /nfs/dbraw/zinc/29/49/37/1062294937.db2.gz VWAWLTRPXSAAFE-LJQANCHMSA-N 1 1 483.535 2.778 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H]2C)cc1F ZINC001290502057 1062296648 /nfs/dbraw/zinc/29/66/48/1062296648.db2.gz VTRJIMJUVBMVLJ-PMPSAXMXSA-N 1 1 475.594 2.805 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001290503316 1062298731 /nfs/dbraw/zinc/29/87/31/1062298731.db2.gz GGXMOFIKVLFZHH-DFQSSKMNSA-N 1 1 463.652 2.890 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 ZINC001290503944 1062299898 /nfs/dbraw/zinc/29/98/98/1062299898.db2.gz NLBVNTZWZCUFMF-UHFFFAOYSA-N 1 1 499.019 2.549 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 ZINC001290504066 1062300678 /nfs/dbraw/zinc/30/06/78/1062300678.db2.gz QAXICUNIAIOXOO-XMMPIXPASA-N 1 1 469.565 2.639 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cn1 ZINC001290504073 1062300724 /nfs/dbraw/zinc/30/07/24/1062300724.db2.gz QFXUGVWKMQLOFL-HLIPFELVSA-N 1 1 487.630 2.715 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290506062 1062303116 /nfs/dbraw/zinc/30/31/16/1062303116.db2.gz HFBFFJVFTBGIAA-OALUTQOASA-N 1 1 486.621 2.566 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001290506787 1062304034 /nfs/dbraw/zinc/30/40/34/1062304034.db2.gz DQVLUYLFEFCIPR-FQEVSTJZSA-N 1 1 476.578 2.605 20 0 JFADMO CC(C)(O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287098433 1062305244 /nfs/dbraw/zinc/30/52/44/1062305244.db2.gz IVVJGRYSCXHVRR-MRXNPFEDSA-N 1 1 470.401 2.846 20 0 JFADMO CC(C)(O)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287098433 1062305271 /nfs/dbraw/zinc/30/52/71/1062305271.db2.gz IVVJGRYSCXHVRR-MRXNPFEDSA-N 1 1 470.401 2.846 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290507584 1062305873 /nfs/dbraw/zinc/30/58/73/1062305873.db2.gz QDWBQNXPFMMMEI-INIZCTEOSA-N 1 1 489.422 2.733 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 ZINC001290507772 1062306056 /nfs/dbraw/zinc/30/60/56/1062306056.db2.gz OZDQPOJSICXPDZ-LJQANCHMSA-N 1 1 464.636 2.559 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001290508036 1062306765 /nfs/dbraw/zinc/30/67/65/1062306765.db2.gz QMJXQUWGWNUWJH-OAQYLSRUSA-N 1 1 456.616 2.672 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001290508030 1062306819 /nfs/dbraw/zinc/30/68/19/1062306819.db2.gz QJZMPTXGQIXRRW-SFHVURJKSA-N 1 1 455.529 2.842 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001290508657 1062307342 /nfs/dbraw/zinc/30/73/42/1062307342.db2.gz YDIUBSVZKYIONA-HXUWFJFHSA-N 1 1 472.615 2.949 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 ZINC001290508478 1062307380 /nfs/dbraw/zinc/30/73/80/1062307380.db2.gz UOTBBGDSKZKZQZ-IBGZPJMESA-N 1 1 460.579 2.941 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F ZINC001290510623 1062308172 /nfs/dbraw/zinc/30/81/72/1062308172.db2.gz FOLTWNLHTPLYII-JKSUJKDBSA-N 1 1 463.583 2.820 20 0 JFADMO CC(C)=CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001287100802 1062309835 /nfs/dbraw/zinc/30/98/35/1062309835.db2.gz CGOUTYBTWYHZKC-LJQANCHMSA-N 1 1 453.591 2.971 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290511465 1062311547 /nfs/dbraw/zinc/31/15/47/1062311547.db2.gz WBNKNIFIRCXVEC-AEFFLSMTSA-N 1 1 455.538 2.854 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001290514524 1062312796 /nfs/dbraw/zinc/31/27/96/1062312796.db2.gz NOFPQWDLQZZLBZ-LJQANCHMSA-N 1 1 475.601 2.930 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001290514522 1062312844 /nfs/dbraw/zinc/31/28/44/1062312844.db2.gz NOFPQWDLQZZLBZ-IBGZPJMESA-N 1 1 475.601 2.930 20 0 JFADMO CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287102589 1062313818 /nfs/dbraw/zinc/31/38/18/1062313818.db2.gz OJIDVPFFGZLNJJ-SZPZYZBQSA-N 1 1 457.667 2.865 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001290515104 1062314135 /nfs/dbraw/zinc/31/41/35/1062314135.db2.gz FLAYPZQTZMGNFT-RXVVDRJESA-N 1 1 493.678 2.611 20 0 JFADMO Cc1nccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001290515287 1062314748 /nfs/dbraw/zinc/31/47/48/1062314748.db2.gz WSYCDMPGVNPOGP-UHFFFAOYSA-N 1 1 485.658 2.864 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001290515265 1062315176 /nfs/dbraw/zinc/31/51/76/1062315176.db2.gz HEVUZBBWMADZNL-VQTJNVASSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001290517244 1062317843 /nfs/dbraw/zinc/31/78/43/1062317843.db2.gz CAMCCYPXGUOBTC-UHFFFAOYSA-N 1 1 486.621 2.555 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC001294734515 1062318286 /nfs/dbraw/zinc/31/82/86/1062318286.db2.gz XQGVFFMVTHNVQT-UHFFFAOYSA-N 1 1 499.679 2.730 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290518169 1062319625 /nfs/dbraw/zinc/31/96/25/1062319625.db2.gz YDXWPSURIGQLRK-LJQANCHMSA-N 1 1 459.595 2.556 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294735510 1062320826 /nfs/dbraw/zinc/32/08/26/1062320826.db2.gz VFYSCURFTGHQBB-UHFFFAOYSA-N 1 1 461.614 2.845 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001290521509 1062321048 /nfs/dbraw/zinc/32/10/48/1062321048.db2.gz KGRYGYOOVWGCCZ-HOTGVXAUSA-N 1 1 464.567 2.632 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290521920 1062322071 /nfs/dbraw/zinc/32/20/71/1062322071.db2.gz DAZIIEJFDQZHEQ-RBUKOAKNSA-N 1 1 459.595 2.728 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290521918 1062322437 /nfs/dbraw/zinc/32/24/37/1062322437.db2.gz DAZIIEJFDQZHEQ-OALUTQOASA-N 1 1 459.595 2.728 20 0 JFADMO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)C2CCCCC2)CC1=O ZINC001294739273 1062322453 /nfs/dbraw/zinc/32/24/53/1062322453.db2.gz FBAOLNOXFTYJBI-UHFFFAOYSA-N 1 1 473.666 2.504 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001290521977 1062322925 /nfs/dbraw/zinc/32/29/25/1062322925.db2.gz RQNSTZHYJVTAJP-MRXNPFEDSA-N 1 1 463.583 2.648 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)(F)F ZINC001290522591 1062323833 /nfs/dbraw/zinc/32/38/33/1062323833.db2.gz IGYDVDRXARHBDK-UHFFFAOYSA-N 1 1 470.525 2.832 20 0 JFADMO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@H+]2CC)CC1=O ZINC001294740248 1062324364 /nfs/dbraw/zinc/32/43/64/1062324364.db2.gz OHILGSSQKGQRRY-NRFANRHFSA-N 1 1 454.619 2.833 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001290524544 1062326439 /nfs/dbraw/zinc/32/64/39/1062326439.db2.gz FJNWCJFUKSWWQZ-JKSUJKDBSA-N 1 1 465.023 2.985 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001290524711 1062326898 /nfs/dbraw/zinc/32/68/98/1062326898.db2.gz KGMYTJUEHQNPST-ZBFHGGJFSA-N 1 1 464.542 2.861 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287112100 1062327929 /nfs/dbraw/zinc/32/79/29/1062327929.db2.gz GREYGQLDRPLRQS-JOCHJYFZSA-N 1 1 486.636 2.550 20 0 JFADMO CCCN1CCCN(c2nnc(COCC)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001294742167 1062328814 /nfs/dbraw/zinc/32/88/14/1062328814.db2.gz ARLXJCVGHARUJJ-OAQYLSRUSA-N 1 1 484.645 2.532 20 0 JFADMO CCCN1CCCN(c2nnc(COCC)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001294742167 1062328837 /nfs/dbraw/zinc/32/88/37/1062328837.db2.gz ARLXJCVGHARUJJ-OAQYLSRUSA-N 1 1 484.645 2.532 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+]2CC)CC1=O ZINC001294742863 1062330056 /nfs/dbraw/zinc/33/00/56/1062330056.db2.gz HCLNGZGHTGSLCV-HXUWFJFHSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294743569 1062332313 /nfs/dbraw/zinc/33/23/13/1062332313.db2.gz CNRWNPVGXCCUJZ-OALUTQOASA-N 1 1 484.605 2.515 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001287113558 1062333289 /nfs/dbraw/zinc/33/32/89/1062333289.db2.gz LYMLCZFEPLSWDJ-UHFFFAOYSA-N 1 1 468.646 2.761 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCCC[C@@H]2CC)CC1=O ZINC001294743913 1062334012 /nfs/dbraw/zinc/33/40/12/1062334012.db2.gz ZMTGIRPBGBNNPR-FUDKSRODSA-N 1 1 476.666 2.715 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 ZINC001294744001 1062334816 /nfs/dbraw/zinc/33/48/16/1062334816.db2.gz JMNUOEMTCRSNJI-MSOLQXFVSA-N 1 1 472.725 2.875 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001294744177 1062335349 /nfs/dbraw/zinc/33/53/49/1062335349.db2.gz ODMFLGDIUKZZQV-BJLQDIEVSA-N 1 1 476.647 2.550 20 0 JFADMO Cc1nccnc1CCn1c(Cc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290536333 1062336242 /nfs/dbraw/zinc/33/62/42/1062336242.db2.gz VSSYVEZYJVJAKC-UHFFFAOYSA-N 1 1 467.593 2.896 20 0 JFADMO Cc1nccnc1CCn1c(Cc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290536333 1062336260 /nfs/dbraw/zinc/33/62/60/1062336260.db2.gz VSSYVEZYJVJAKC-UHFFFAOYSA-N 1 1 467.593 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294744646 1062336590 /nfs/dbraw/zinc/33/65/90/1062336590.db2.gz ZTLIPODMOHRINV-CTNGQTDRSA-N 1 1 467.618 2.689 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)CC1 ZINC001294744829 1062336991 /nfs/dbraw/zinc/33/69/91/1062336991.db2.gz FGGSOQCETOSJSM-IBGZPJMESA-N 1 1 494.482 2.689 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294745745 1062338205 /nfs/dbraw/zinc/33/82/05/1062338205.db2.gz WEINFKAVHWNIQZ-ZBFHGGJFSA-N 1 1 464.412 2.577 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C)C(=O)C1 ZINC001294745734 1062338320 /nfs/dbraw/zinc/33/83/20/1062338320.db2.gz VRUIUJIXQCGLTR-INIZCTEOSA-N 1 1 491.434 2.869 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294745744 1062338608 /nfs/dbraw/zinc/33/86/08/1062338608.db2.gz WEINFKAVHWNIQZ-HOCLYGCPSA-N 1 1 464.412 2.577 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001294750980 1062340657 /nfs/dbraw/zinc/34/06/57/1062340657.db2.gz UQMDQYBGQCEGES-QFIPXVFZSA-N 1 1 454.619 2.677 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC001294753596 1062342564 /nfs/dbraw/zinc/34/25/64/1062342564.db2.gz OPNKACOTRZMZIF-GBESFXJTSA-N 1 1 485.599 2.814 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294754423 1062344282 /nfs/dbraw/zinc/34/42/82/1062344282.db2.gz CVMNINQRZHPUGG-LVCYWYKZSA-N 1 1 477.631 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001294754886 1062344848 /nfs/dbraw/zinc/34/48/48/1062344848.db2.gz JLLZJOSTPMURCN-FQEVSTJZSA-N 1 1 460.648 2.616 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290546669 1062346189 /nfs/dbraw/zinc/34/61/89/1062346189.db2.gz HGXDZUUURWCIQB-NHCUHLMSSA-N 1 1 459.639 2.516 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001294757191 1062347375 /nfs/dbraw/zinc/34/73/75/1062347375.db2.gz KGCVHQVWMYXGBD-NRFANRHFSA-N 1 1 468.650 2.768 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294757834 1062347882 /nfs/dbraw/zinc/34/78/82/1062347882.db2.gz PDTUCFSYKSJXDX-MOPGFXCFSA-N 1 1 496.582 2.519 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294759570 1062350280 /nfs/dbraw/zinc/35/02/80/1062350280.db2.gz GNEZNPFHGVTZAL-DXIQSLLYSA-N 1 1 488.599 2.877 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294759779 1062350372 /nfs/dbraw/zinc/35/03/72/1062350372.db2.gz HCPJEDNGUZPTCC-CYFREDJKSA-N 1 1 464.655 2.544 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294763791 1062352515 /nfs/dbraw/zinc/35/25/15/1062352515.db2.gz GAAXJAHWWHOANN-ZWKOTPCHSA-N 1 1 472.556 2.899 20 0 JFADMO CCCn1nc(-c2nnc(N3CCN(C(C)C)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001294770333 1062367816 /nfs/dbraw/zinc/36/78/16/1062367816.db2.gz DEVJAWKSFCPHSC-UHFFFAOYSA-N 1 1 480.661 2.936 20 0 JFADMO CCCn1nc(-c2nnc(N3CCN(C(C)C)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001294770333 1062367840 /nfs/dbraw/zinc/36/78/40/1062367840.db2.gz DEVJAWKSFCPHSC-UHFFFAOYSA-N 1 1 480.661 2.936 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001290566008 1062368274 /nfs/dbraw/zinc/36/82/74/1062368274.db2.gz PTGACBBOOKIICE-VGSWGCGISA-N 1 1 486.665 2.905 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001290566001 1062368520 /nfs/dbraw/zinc/36/85/20/1062368520.db2.gz PTGACBBOOKIICE-JTSKRJEESA-N 1 1 486.665 2.905 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC(C)(C)C2)CC1 ZINC001290567088 1062369946 /nfs/dbraw/zinc/36/99/46/1062369946.db2.gz URATWYUFLDOYRV-UHFFFAOYSA-N 1 1 456.639 2.525 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287122619 1062373383 /nfs/dbraw/zinc/37/33/83/1062373383.db2.gz APIZPOGUYVRFEB-FPOVZHCZSA-N 1 1 473.666 2.625 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287122621 1062373437 /nfs/dbraw/zinc/37/34/37/1062373437.db2.gz APIZPOGUYVRFEB-PZJWPPBQSA-N 1 1 473.666 2.625 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290578156 1062383561 /nfs/dbraw/zinc/38/35/61/1062383561.db2.gz NRPFFDZOYVMEPD-FCHUYYIVSA-N 1 1 485.681 2.834 20 0 JFADMO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001287125447 1062387716 /nfs/dbraw/zinc/38/77/16/1062387716.db2.gz BJTQHXOPZVYABT-VXKWHMMOSA-N 1 1 487.693 2.767 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001294782753 1062389651 /nfs/dbraw/zinc/38/96/51/1062389651.db2.gz DWSRCZYTSFBQAK-DCLXLUIPSA-N 1 1 478.707 2.742 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294788222 1062393873 /nfs/dbraw/zinc/39/38/73/1062393873.db2.gz DIGVCCTUOOAMNV-FPOVZHCZSA-N 1 1 471.650 2.615 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001287128344 1062400031 /nfs/dbraw/zinc/40/00/31/1062400031.db2.gz SOEFFUYHJQLAPH-SFTDATJTSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001290589083 1062400063 /nfs/dbraw/zinc/40/00/63/1062400063.db2.gz DBIZEKVGNDZWQM-UHFFFAOYSA-N 1 1 458.655 2.755 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001287128700 1062401445 /nfs/dbraw/zinc/40/14/45/1062401445.db2.gz SVSLZLTWLNIEJL-LJQANCHMSA-N 1 1 460.648 2.718 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294790948 1062405291 /nfs/dbraw/zinc/40/52/91/1062405291.db2.gz KCXJVJJWFABDQZ-NRFANRHFSA-N 1 1 484.645 2.807 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294790948 1062405299 /nfs/dbraw/zinc/40/52/99/1062405299.db2.gz KCXJVJJWFABDQZ-NRFANRHFSA-N 1 1 484.645 2.807 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294791494 1062408211 /nfs/dbraw/zinc/40/82/11/1062408211.db2.gz NGNSGWBQLDASAB-OAQYLSRUSA-N 1 1 452.603 2.958 20 0 JFADMO CC(C)C(=O)NCCCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001287129700 1062411124 /nfs/dbraw/zinc/41/11/24/1062411124.db2.gz BEDXOWGTDPKXGB-UHFFFAOYSA-N 1 1 470.666 2.619 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001294794378 1062421317 /nfs/dbraw/zinc/42/13/17/1062421317.db2.gz HOJAHKLFBWWDIX-IRLDBZIGSA-N 1 1 476.629 2.998 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001287133219 1062440738 /nfs/dbraw/zinc/44/07/38/1062440738.db2.gz QRWRPYLEZPEKED-QFIPXVFZSA-N 1 1 468.646 2.827 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccc(C(C)(C)O)cc2)n1 ZINC001290605692 1062441812 /nfs/dbraw/zinc/44/18/12/1062441812.db2.gz MTTUCXQDBQFTPK-UHFFFAOYSA-N 1 1 495.672 2.962 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccc(C(C)(C)O)cc2)n1 ZINC001290605692 1062441823 /nfs/dbraw/zinc/44/18/23/1062441823.db2.gz MTTUCXQDBQFTPK-UHFFFAOYSA-N 1 1 495.672 2.962 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001287133699 1062444579 /nfs/dbraw/zinc/44/45/79/1062444579.db2.gz VSJZPVAZLKTTTH-IBGZPJMESA-N 1 1 453.566 2.991 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(C)CCOCC2)n1 ZINC001290606040 1062445041 /nfs/dbraw/zinc/44/50/41/1062445041.db2.gz VMUBEWPPGITPNB-UHFFFAOYSA-N 1 1 459.639 2.503 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(C)CCOCC2)n1 ZINC001290606040 1062445058 /nfs/dbraw/zinc/44/50/58/1062445058.db2.gz VMUBEWPPGITPNB-UHFFFAOYSA-N 1 1 459.639 2.503 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294803005 1062449472 /nfs/dbraw/zinc/44/94/72/1062449472.db2.gz JKGVFPPMILILTJ-FYYLOGMGSA-N 1 1 499.679 2.777 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001294803527 1062452724 /nfs/dbraw/zinc/45/27/24/1062452724.db2.gz LWDSQSWKXUBASO-WMZOPIPTSA-N 1 1 459.664 2.859 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001287134662 1062453624 /nfs/dbraw/zinc/45/36/24/1062453624.db2.gz VMSDYEWYBZNYSH-HMXCVIKNSA-N 1 1 460.667 2.889 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294809619 1062464861 /nfs/dbraw/zinc/46/48/61/1062464861.db2.gz BKIMZYRRAUZFKS-JTHBVZDNSA-N 1 1 473.710 2.779 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001290618114 1062472605 /nfs/dbraw/zinc/47/26/05/1062472605.db2.gz SLBCYLGFZDFKIF-RYRKJORJSA-N 1 1 455.529 2.778 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618715 1062476129 /nfs/dbraw/zinc/47/61/29/1062476129.db2.gz XSJMYDDPEIIWFS-OAQYLSRUSA-N 1 1 473.666 2.890 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287141218 1062499294 /nfs/dbraw/zinc/49/92/94/1062499294.db2.gz ZPLAVBKGKJGCRN-RTWAWAEBSA-N 1 1 454.619 2.767 20 0 JFADMO CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001287141858 1062502564 /nfs/dbraw/zinc/50/25/64/1062502564.db2.gz RAAOHIVKJJEEOA-UHFFFAOYSA-N 1 1 499.679 2.775 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294822017 1062505034 /nfs/dbraw/zinc/50/50/34/1062505034.db2.gz DJKFVSWGMSDMIS-UHFFFAOYSA-N 1 1 469.634 2.502 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294822017 1062505057 /nfs/dbraw/zinc/50/50/57/1062505057.db2.gz DJKFVSWGMSDMIS-UHFFFAOYSA-N 1 1 469.634 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290631902 1062507791 /nfs/dbraw/zinc/50/77/91/1062507791.db2.gz SGPLUUHCOFILFL-ZRBLBEILSA-N 1 1 473.666 2.890 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001287146348 1062512110 /nfs/dbraw/zinc/51/21/10/1062512110.db2.gz QRAPOONOCMLOKE-DEOSSOPVSA-N 1 1 455.607 2.787 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294827766 1062513872 /nfs/dbraw/zinc/51/38/72/1062513872.db2.gz GSBMRRRDOZYXJS-VWPQPMDRSA-N 1 1 487.693 2.730 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001294829323 1062517285 /nfs/dbraw/zinc/51/72/85/1062517285.db2.gz WFWCKJVFRLFYFH-OAQYLSRUSA-N 1 1 475.726 2.883 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CC(C)(C)O)n1 ZINC001290638998 1062522414 /nfs/dbraw/zinc/52/24/14/1062522414.db2.gz FLGKAQKXMAJBMC-UHFFFAOYSA-N 1 1 455.582 2.762 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290639455 1062523575 /nfs/dbraw/zinc/52/35/75/1062523575.db2.gz CMAYZOFCAHJMBI-UHFFFAOYSA-N 1 1 474.654 2.927 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001294834412 1062524679 /nfs/dbraw/zinc/52/46/79/1062524679.db2.gz QVAISQNQKPZMFJ-PUHATCMVSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287153084 1062529039 /nfs/dbraw/zinc/52/90/39/1062529039.db2.gz MBSWJROGYCZVAU-AVRWGWEMSA-N 1 1 472.609 2.528 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294838655 1062530600 /nfs/dbraw/zinc/53/06/00/1062530600.db2.gz FLIOQRDDOUDWTR-MRXNPFEDSA-N 1 1 450.534 2.993 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001290647310 1062540974 /nfs/dbraw/zinc/54/09/74/1062540974.db2.gz WCDPMVRMSDNLTJ-KNQAVFIVSA-N 1 1 470.666 2.565 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294847291 1062545618 /nfs/dbraw/zinc/54/56/18/1062545618.db2.gz OMJWBNYKODYRBR-BGYRXZFFSA-N 1 1 479.629 2.955 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294847291 1062545642 /nfs/dbraw/zinc/54/56/42/1062545642.db2.gz OMJWBNYKODYRBR-BGYRXZFFSA-N 1 1 479.629 2.955 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001294847685 1062546885 /nfs/dbraw/zinc/54/68/85/1062546885.db2.gz WNAKTHZCTWQYPI-ROUUACIJSA-N 1 1 456.591 2.552 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001290653910 1062553003 /nfs/dbraw/zinc/55/30/03/1062553003.db2.gz KSGXPCZQDVHVEJ-FQEVSTJZSA-N 1 1 469.659 2.619 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294856620 1062556438 /nfs/dbraw/zinc/55/64/38/1062556438.db2.gz IITSELDBVCJXCI-WIYYLYMNSA-N 1 1 475.037 2.596 20 0 JFADMO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287160420 1062560105 /nfs/dbraw/zinc/56/01/05/1062560105.db2.gz DNBCFAJAOGOEJC-HBFSDRIKSA-N 1 1 470.622 2.957 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287160719 1062561136 /nfs/dbraw/zinc/56/11/36/1062561136.db2.gz TZOFJGVTCGXQIH-AABGKKOBSA-N 1 1 488.599 2.949 20 0 JFADMO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287162814 1062566380 /nfs/dbraw/zinc/56/63/80/1062566380.db2.gz KLDCCEZYDMLMII-SVFBPWRDSA-N 1 1 461.582 2.967 20 0 JFADMO CC(C)[C@H](Cn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCOCC1 ZINC001287163165 1062567670 /nfs/dbraw/zinc/56/76/70/1062567670.db2.gz NSSTXWDATPFLBG-IRLDBZIGSA-N 1 1 468.646 2.805 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163204 1062567801 /nfs/dbraw/zinc/56/78/01/1062567801.db2.gz BPAAAOIZXBJKGB-XUVXKRRUSA-N 1 1 478.638 2.590 20 0 JFADMO CC(C)[C@@H](Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163263 1062568619 /nfs/dbraw/zinc/56/86/19/1062568619.db2.gz CIUOFVZOKXJFMZ-DNQXCXABSA-N 1 1 489.753 2.927 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC001287163397 1062568906 /nfs/dbraw/zinc/56/89/06/1062568906.db2.gz CRAVRPYYFZYTPF-RZUBCFFCSA-N 1 1 492.709 2.904 20 0 JFADMO CC(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCC1)[NH+]1CCOCC1 ZINC001287164782 1062574899 /nfs/dbraw/zinc/57/48/99/1062574899.db2.gz YQCZFJDZBBBCTC-LJQANCHMSA-N 1 1 460.648 2.863 20 0 JFADMO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccon1)[NH+]1CCOCC1 ZINC001287164910 1062575668 /nfs/dbraw/zinc/57/56/68/1062575668.db2.gz ZOIDGCHWLNECQX-FQEVSTJZSA-N 1 1 458.538 2.977 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001287166459 1062577334 /nfs/dbraw/zinc/57/73/34/1062577334.db2.gz IHLDACKUAFRBKD-AABGKKOBSA-N 1 1 490.674 2.764 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOCC2(C)C)cn1 ZINC001287171367 1062588551 /nfs/dbraw/zinc/58/85/51/1062588551.db2.gz QNEIOMCANUQNET-UHFFFAOYSA-N 1 1 452.607 2.944 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCOCC2(C)C)cn1 ZINC001287171367 1062588567 /nfs/dbraw/zinc/58/85/67/1062588567.db2.gz QNEIOMCANUQNET-UHFFFAOYSA-N 1 1 452.607 2.944 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294879504 1062592052 /nfs/dbraw/zinc/59/20/52/1062592052.db2.gz DILBTIPORBCMMR-QZTJIDSGSA-N 1 1 474.675 2.815 20 0 JFADMO Cc1nnc(CCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290681018 1062593470 /nfs/dbraw/zinc/59/34/70/1062593470.db2.gz DUEDPJLHXWCEIC-CALCHBBNSA-N 1 1 458.636 2.622 20 0 JFADMO Cc1nnc(CCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290681018 1062593477 /nfs/dbraw/zinc/59/34/77/1062593477.db2.gz DUEDPJLHXWCEIC-CALCHBBNSA-N 1 1 458.636 2.622 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001294884830 1062598732 /nfs/dbraw/zinc/59/87/32/1062598732.db2.gz VOPRTRHZZFVKSP-UHFFFAOYSA-N 1 1 480.455 2.883 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001294884850 1062599284 /nfs/dbraw/zinc/59/92/84/1062599284.db2.gz WDQIHJASIIDQIW-QFIPXVFZSA-N 1 1 491.434 2.535 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287183736 1062608910 /nfs/dbraw/zinc/60/89/10/1062608910.db2.gz GORRJYRWJRTILD-KDURUIRLSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287183736 1062608923 /nfs/dbraw/zinc/60/89/23/1062608923.db2.gz GORRJYRWJRTILD-KDURUIRLSA-N 1 1 463.648 2.540 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294888303 1062610023 /nfs/dbraw/zinc/61/00/23/1062610023.db2.gz MZOPHQBSGMNMQL-HNNXBMFYSA-N 1 1 479.423 2.773 20 0 JFADMO CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287184127 1062610191 /nfs/dbraw/zinc/61/01/91/1062610191.db2.gz OAXXDXKNLLIVHG-OAQYLSRUSA-N 1 1 463.648 2.564 20 0 JFADMO CC(C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001287188943 1062614696 /nfs/dbraw/zinc/61/46/96/1062614696.db2.gz XGDRBRIUHRSWMU-RTBURBONSA-N 1 1 450.628 2.815 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001290693149 1062616764 /nfs/dbraw/zinc/61/67/64/1062616764.db2.gz VZFUQVSHTFAIIZ-UHFFFAOYSA-N 1 1 482.658 2.973 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001294894681 1062621950 /nfs/dbraw/zinc/62/19/50/1062621950.db2.gz CSAGPCQNYRWWRN-UHFFFAOYSA-N 1 1 451.550 2.718 20 0 JFADMO Cc1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)s1 ZINC001290699564 1062634066 /nfs/dbraw/zinc/63/40/66/1062634066.db2.gz VFSSRNHNPFBVEW-UHFFFAOYSA-N 1 1 475.594 2.751 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287205245 1062650060 /nfs/dbraw/zinc/65/00/60/1062650060.db2.gz BCLXJSXESOLLAF-BHIFYINESA-N 1 1 460.667 2.987 20 0 JFADMO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001294910214 1062656064 /nfs/dbraw/zinc/65/60/64/1062656064.db2.gz JSBGOOFCZISAOG-OAQYLSRUSA-N 1 1 467.643 2.871 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287211519 1062663806 /nfs/dbraw/zinc/66/38/06/1062663806.db2.gz FZHDPUMDHIZENJ-UHFFFAOYSA-N 1 1 472.609 2.544 20 0 JFADMO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001290745972 1062663884 /nfs/dbraw/zinc/66/38/84/1062663884.db2.gz KCLXRVLLPFOAPP-AWEZNQCLSA-N 1 1 451.394 2.869 20 0 JFADMO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287212780 1062668301 /nfs/dbraw/zinc/66/83/01/1062668301.db2.gz SQGSLIMJYZOIBT-UZUQRXQVSA-N 1 1 486.608 2.939 20 0 JFADMO Cc1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750508 1062668376 /nfs/dbraw/zinc/66/83/76/1062668376.db2.gz ACZNIOMSHZIIHO-NTKDMRAZSA-N 1 1 480.654 2.598 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCN(C)c1ccccc1 ZINC001287213543 1062671665 /nfs/dbraw/zinc/67/16/65/1062671665.db2.gz ASSJEDAFSGQCRE-JOCHJYFZSA-N 1 1 453.635 2.671 20 0 JFADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001290759536 1062671805 /nfs/dbraw/zinc/67/18/05/1062671805.db2.gz GJAIPHAGJOMTKS-IBGZPJMESA-N 1 1 451.493 2.549 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001294914867 1062672773 /nfs/dbraw/zinc/67/27/73/1062672773.db2.gz XPVXFAUSFAMZGN-SJLPKXTDSA-N 1 1 491.434 2.819 20 0 JFADMO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001290763531 1062679798 /nfs/dbraw/zinc/67/97/98/1062679798.db2.gz QXHGQQRVBHLPHH-UHFFFAOYSA-N 1 1 454.604 2.815 20 0 JFADMO Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001290771886 1062689550 /nfs/dbraw/zinc/68/95/50/1062689550.db2.gz XJYIMMHAJKMCPJ-QFIPXVFZSA-N 1 1 467.536 2.997 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCn2cc[nH+]c2C)cc1OC ZINC001294923316 1062690015 /nfs/dbraw/zinc/69/00/15/1062690015.db2.gz FQUOULKJGTVXBU-KRWDZBQOSA-N 1 1 467.574 2.615 20 0 JFADMO CC(C)[N@@H+](C)CCCNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290782264 1062693076 /nfs/dbraw/zinc/69/30/76/1062693076.db2.gz OOVPVIWAKRRGHC-IEBWSBKVSA-N 1 1 459.450 2.889 20 0 JFADMO Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290793724 1062700284 /nfs/dbraw/zinc/70/02/84/1062700284.db2.gz VVODFSNNUUORTN-FCHUYYIVSA-N 1 1 470.618 2.839 20 0 JFADMO Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290793724 1062700302 /nfs/dbraw/zinc/70/03/02/1062700302.db2.gz VVODFSNNUUORTN-FCHUYYIVSA-N 1 1 470.618 2.839 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001287219947 1062703533 /nfs/dbraw/zinc/70/35/33/1062703533.db2.gz PNWOKQTUFDCSFM-GOSISDBHSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001287220457 1062705470 /nfs/dbraw/zinc/70/54/70/1062705470.db2.gz YRKBNWJUGUQXBA-QHCPKHFHSA-N 1 1 498.672 2.755 20 0 JFADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290807942 1062709195 /nfs/dbraw/zinc/70/91/95/1062709195.db2.gz AGLFTXVUGIEEDH-GOSISDBHSA-N 1 1 463.586 2.649 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940114 1062724592 /nfs/dbraw/zinc/72/45/92/1062724592.db2.gz MCIGOILMACVCPB-GOSISDBHSA-N 1 1 458.607 2.798 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001294941200 1062727396 /nfs/dbraw/zinc/72/73/96/1062727396.db2.gz XBVZRNMBUMXOPP-SFTDATJTSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001294941199 1062727488 /nfs/dbraw/zinc/72/74/88/1062727488.db2.gz XBVZRNMBUMXOPP-RTWAWAEBSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCC[N@H+]2CC)cc1OC ZINC001294947825 1062732686 /nfs/dbraw/zinc/73/26/86/1062732686.db2.gz VCPWLFLJJUXMLX-FQEVSTJZSA-N 1 1 491.658 2.852 20 0 JFADMO O=C(CSc1nnnn1C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001294953537 1062739040 /nfs/dbraw/zinc/73/90/40/1062739040.db2.gz JAKGDGMPYZQFGA-UHFFFAOYSA-N 1 1 451.394 2.643 20 0 JFADMO CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287265912 1062743218 /nfs/dbraw/zinc/74/32/18/1062743218.db2.gz YLOUFDDSELXUCN-RBBKRZOGSA-N 1 1 496.722 2.748 20 0 JFADMO CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287265910 1062743350 /nfs/dbraw/zinc/74/33/50/1062743350.db2.gz YLOUFDDSELXUCN-IFMALSPDSA-N 1 1 496.722 2.748 20 0 JFADMO CCCOc1ccc(Cn2c(CC)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1OC ZINC001294965502 1062747165 /nfs/dbraw/zinc/74/71/65/1062747165.db2.gz OXCBGUUVWXCVGM-UGKGYDQZSA-N 1 1 484.645 2.675 20 0 JFADMO Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(I)cc1 ZINC001290866815 1062748776 /nfs/dbraw/zinc/74/87/76/1062748776.db2.gz CLKAJNJLMHTSPR-OAHLLOKOSA-N 1 1 481.382 2.929 20 0 JFADMO Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001290871819 1062757803 /nfs/dbraw/zinc/75/78/03/1062757803.db2.gz KJELBGWPTFEASD-NRFANRHFSA-N 1 1 490.530 2.805 20 0 JFADMO Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290875024 1062759766 /nfs/dbraw/zinc/75/97/66/1062759766.db2.gz XYJABIGCQBPMIY-UHFFFAOYSA-N 1 1 452.510 2.891 20 0 JFADMO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001294975318 1062760307 /nfs/dbraw/zinc/76/03/07/1062760307.db2.gz ZXGKICKUGYVINL-LJQANCHMSA-N 1 1 469.634 2.959 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001287296251 1062768927 /nfs/dbraw/zinc/76/89/27/1062768927.db2.gz SUHXRQMFCDSWJT-QHCPKHFHSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001287296251 1062768950 /nfs/dbraw/zinc/76/89/50/1062768950.db2.gz SUHXRQMFCDSWJT-QHCPKHFHSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001287296251 1062768974 /nfs/dbraw/zinc/76/89/74/1062768974.db2.gz SUHXRQMFCDSWJT-QHCPKHFHSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001287296250 1062769236 /nfs/dbraw/zinc/76/92/36/1062769236.db2.gz SUHXRQMFCDSWJT-HSZRJFAPSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001287296250 1062769259 /nfs/dbraw/zinc/76/92/59/1062769259.db2.gz SUHXRQMFCDSWJT-HSZRJFAPSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001287296250 1062769278 /nfs/dbraw/zinc/76/92/78/1062769278.db2.gz SUHXRQMFCDSWJT-HSZRJFAPSA-N 1 1 470.662 2.787 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001287299062 1062772207 /nfs/dbraw/zinc/77/22/07/1062772207.db2.gz MKESZRSFCUWKJN-AXHZCLLHSA-N 1 1 494.706 2.995 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001294997380 1062783670 /nfs/dbraw/zinc/78/36/70/1062783670.db2.gz RGKFXXIQBWTBOT-HSALFYBXSA-N 1 1 470.684 2.548 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295005319 1062791923 /nfs/dbraw/zinc/79/19/23/1062791923.db2.gz FBTWDZVKWCRLPT-VXKWHMMOSA-N 1 1 476.666 2.543 20 0 JFADMO CCCOCc1ccccc1Cn1c(C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295009004 1062797446 /nfs/dbraw/zinc/79/74/46/1062797446.db2.gz RXZMPVODLNUPFJ-NTKDMRAZSA-N 1 1 454.619 2.550 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014616 1062804426 /nfs/dbraw/zinc/80/44/26/1062804426.db2.gz DSWHZLMJPBEWSU-SJBKTWHCSA-N 1 1 496.722 2.938 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295020767 1062821804 /nfs/dbraw/zinc/82/18/04/1062821804.db2.gz DLQHKQBKCQRDFQ-MOPGFXCFSA-N 1 1 466.696 2.649 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001287350733 1062822606 /nfs/dbraw/zinc/82/26/06/1062822606.db2.gz WTVBKIPILMGSEE-VQTJNVASSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001287350733 1062822625 /nfs/dbraw/zinc/82/26/25/1062822625.db2.gz WTVBKIPILMGSEE-VQTJNVASSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001287350732 1062823027 /nfs/dbraw/zinc/82/30/27/1062823027.db2.gz WTVBKIPILMGSEE-UXHICEINSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001287350732 1062823054 /nfs/dbraw/zinc/82/30/54/1062823054.db2.gz WTVBKIPILMGSEE-UXHICEINSA-N 1 1 477.675 2.615 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001295021464 1062823311 /nfs/dbraw/zinc/82/33/11/1062823311.db2.gz KNKCWPQRYYRHTG-SFHVURJKSA-N 1 1 463.652 2.549 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001295023062 1062827190 /nfs/dbraw/zinc/82/71/90/1062827190.db2.gz VSUFKLIGYREGBZ-SFHVURJKSA-N 1 1 454.685 2.507 20 0 JFADMO CC(C)Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001287360119 1062829076 /nfs/dbraw/zinc/82/90/76/1062829076.db2.gz KIYDHYJHQFIPPM-UHFFFAOYSA-N 1 1 494.681 2.565 20 0 JFADMO CCC[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001295026076 1062829920 /nfs/dbraw/zinc/82/99/20/1062829920.db2.gz PAUFQGSBELAJBM-AYWYSENESA-N 1 1 460.648 2.960 20 0 JFADMO CCC[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001295026077 1062830030 /nfs/dbraw/zinc/83/00/30/1062830030.db2.gz PAUFQGSBELAJBM-CWJKEVGVSA-N 1 1 460.648 2.960 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287364991 1062830327 /nfs/dbraw/zinc/83/03/27/1062830327.db2.gz GBKDSGQJLHQGSD-UHFFFAOYSA-N 1 1 457.545 2.976 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287364991 1062830346 /nfs/dbraw/zinc/83/03/46/1062830346.db2.gz GBKDSGQJLHQGSD-UHFFFAOYSA-N 1 1 457.545 2.976 20 0 JFADMO CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001295026078 1062830439 /nfs/dbraw/zinc/83/04/39/1062830439.db2.gz PAUFQGSBELAJBM-FYZZASKESA-N 1 1 460.648 2.960 20 0 JFADMO CC(C)Cc1nnc(N(C)CC2COC(C)(C)OC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287373443 1062832343 /nfs/dbraw/zinc/83/23/43/1062832343.db2.gz YGASLAGGJPSZCT-HSZRJFAPSA-N 1 1 467.680 2.520 20 0 JFADMO CC(C)Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001287375038 1062833489 /nfs/dbraw/zinc/83/34/89/1062833489.db2.gz SVGOKWRCCBWJMP-LJQANCHMSA-N 1 1 452.603 2.941 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287384970 1062836736 /nfs/dbraw/zinc/83/67/36/1062836736.db2.gz JQYUIRUMCJZKQA-WOJBJXKFSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287403112 1062846252 /nfs/dbraw/zinc/84/62/52/1062846252.db2.gz JMFSDCBASANBEZ-FPOVZHCZSA-N 1 1 467.618 2.566 20 0 JFADMO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295052604 1062855888 /nfs/dbraw/zinc/85/58/88/1062855888.db2.gz BUSURYUEVOMWMW-MOPGFXCFSA-N 1 1 455.607 2.544 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287420419 1062859582 /nfs/dbraw/zinc/85/95/82/1062859582.db2.gz QNCGYRDTGLNOFZ-ATIYNZHBSA-N 1 1 486.636 2.656 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001295056908 1062862115 /nfs/dbraw/zinc/86/21/15/1062862115.db2.gz HJAYADYTZDTOIC-KNQAVFIVSA-N 1 1 468.646 2.878 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295056910 1062862163 /nfs/dbraw/zinc/86/21/63/1062862163.db2.gz HJAYADYTZDTOIC-SIKLNZKXSA-N 1 1 468.646 2.878 20 0 JFADMO CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287426303 1062864384 /nfs/dbraw/zinc/86/43/84/1062864384.db2.gz VFSMSMMHRAIOSJ-LJQANCHMSA-N 1 1 460.598 2.905 20 0 JFADMO CC(C)Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001287427088 1062865483 /nfs/dbraw/zinc/86/54/83/1062865483.db2.gz FYKPABKYFLWZKJ-IBGZPJMESA-N 1 1 459.639 2.509 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287438055 1062872045 /nfs/dbraw/zinc/87/20/45/1062872045.db2.gz SCDCQGXEDNEOGO-YADHBBJMSA-N 1 1 460.667 2.576 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001295062693 1062878018 /nfs/dbraw/zinc/87/80/18/1062878018.db2.gz XRNNBSXWGCRYOZ-UHFFFAOYSA-N 1 1 484.004 2.803 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287445894 1062880581 /nfs/dbraw/zinc/88/05/81/1062880581.db2.gz FGUSHTIYKJOZDA-OAQYLSRUSA-N 1 1 466.696 2.745 20 0 JFADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC001290989954 1062880762 /nfs/dbraw/zinc/88/07/62/1062880762.db2.gz PJBPPQSAQDATSS-BHIFYINESA-N 1 1 487.737 2.976 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990728 1062884622 /nfs/dbraw/zinc/88/46/22/1062884622.db2.gz VVPGVJOJBMBOAP-MIOZMULLSA-N 1 1 476.666 2.557 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001287449068 1062886279 /nfs/dbraw/zinc/88/62/79/1062886279.db2.gz ZCBCHOHGMCJWOU-YADHBBJMSA-N 1 1 480.723 2.993 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001287449067 1062886344 /nfs/dbraw/zinc/88/63/44/1062886344.db2.gz ZCBCHOHGMCJWOU-VXKWHMMOSA-N 1 1 480.723 2.993 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996052 1062887929 /nfs/dbraw/zinc/88/79/29/1062887929.db2.gz AYUCZYISHOCEGG-OTWHNJEPSA-N 1 1 477.679 2.676 20 0 JFADMO CC(C)NC(=O)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996757 1062888607 /nfs/dbraw/zinc/88/86/07/1062888607.db2.gz KKVAIZQBNYIZNP-HDICACEKSA-N 1 1 487.649 2.723 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)C1 ZINC001290997887 1062890874 /nfs/dbraw/zinc/89/08/74/1062890874.db2.gz NTCVKFMINDHGAQ-HSALFYBXSA-N 1 1 498.738 2.850 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295073392 1062896804 /nfs/dbraw/zinc/89/68/04/1062896804.db2.gz CMIBVRBEWPJXQF-UHFFFAOYSA-N 1 1 465.577 2.594 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291000743 1062896932 /nfs/dbraw/zinc/89/69/32/1062896932.db2.gz PIGSPLLJVYJMBL-BGYRXZFFSA-N 1 1 487.693 2.639 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287463904 1062907356 /nfs/dbraw/zinc/90/73/56/1062907356.db2.gz GQPGICLRQHUTIL-SZPZYZBQSA-N 1 1 475.682 2.704 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001291010218 1062908482 /nfs/dbraw/zinc/90/84/82/1062908482.db2.gz QCWGCIOGGOBHCQ-HBMCJLEFSA-N 1 1 489.690 2.568 20 0 JFADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079288 1062909060 /nfs/dbraw/zinc/90/90/60/1062909060.db2.gz XIUQYRFQTOHQBG-ROUUACIJSA-N 1 1 454.575 2.805 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079288 1062909080 /nfs/dbraw/zinc/90/90/80/1062909080.db2.gz XIUQYRFQTOHQBG-ROUUACIJSA-N 1 1 454.575 2.805 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291010784 1062909707 /nfs/dbraw/zinc/90/97/07/1062909707.db2.gz AJHVAQWUWVCDBN-SZPZYZBQSA-N 1 1 487.693 2.577 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291010846 1062910431 /nfs/dbraw/zinc/91/04/31/1062910431.db2.gz BRFNQFANAJUAQA-MHTWAQMVSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011015 1062911194 /nfs/dbraw/zinc/91/11/94/1062911194.db2.gz DPYQTAKIIHEGRT-PJVZLEMVSA-N 1 1 472.725 2.587 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011286 1062911674 /nfs/dbraw/zinc/91/16/74/1062911674.db2.gz IJWBQBHNBACGGN-IXDOHACOSA-N 1 1 492.612 2.955 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287465605 1062912805 /nfs/dbraw/zinc/91/28/05/1062912805.db2.gz YTDNIKQRZSOAPM-XMMPIXPASA-N 1 1 482.673 2.725 20 0 JFADMO COC(=O)C1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)(C(=O)OC)CC1 ZINC001295081243 1062913487 /nfs/dbraw/zinc/91/34/87/1062913487.db2.gz BFJUCBVMCTXZQN-WUZYXKQASA-N 1 1 452.498 2.535 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(CCCO)CC2)C1 ZINC001291011955 1062914306 /nfs/dbraw/zinc/91/43/06/1062914306.db2.gz RUUNQEHGVUFRRG-OYRHEFFESA-N 1 1 460.667 2.871 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001291012262 1062915647 /nfs/dbraw/zinc/91/56/47/1062915647.db2.gz WUTIPHAZWAPHJB-BGYRXZFFSA-N 1 1 456.639 2.529 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001287469808 1062917424 /nfs/dbraw/zinc/91/74/24/1062917424.db2.gz VMTSOLYFOKQXRX-KOSHJBKYSA-N 1 1 462.589 2.705 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001295084408 1062918821 /nfs/dbraw/zinc/91/88/21/1062918821.db2.gz NSCFEOIWUPKUAK-UHFFFAOYSA-N 1 1 484.626 2.728 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291013162 1062919610 /nfs/dbraw/zinc/91/96/10/1062919610.db2.gz JVLXJJWYWLSUCE-BDTNDASRSA-N 1 1 460.667 2.845 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291013163 1062919694 /nfs/dbraw/zinc/91/96/94/1062919694.db2.gz JVLXJJWYWLSUCE-BHIFYINESA-N 1 1 460.667 2.845 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291013487 1062920430 /nfs/dbraw/zinc/92/04/30/1062920430.db2.gz NYLYIWVULZJLGT-BGYRXZFFSA-N 1 1 466.696 2.775 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cc(Br)cn3C)nnc2N2CCS(=O)CC2)C1 ZINC001291013926 1062922420 /nfs/dbraw/zinc/92/24/20/1062922420.db2.gz UYZXFTCEAHRGEL-CALCHBBNSA-N 1 1 497.507 2.983 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015207 1062925286 /nfs/dbraw/zinc/92/52/86/1062925286.db2.gz NVSRDMXNRBMTMY-KDURUIRLSA-N 1 1 479.622 2.599 20 0 JFADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291018010 1062931496 /nfs/dbraw/zinc/93/14/96/1062931496.db2.gz ZSWGGKDBKSUNTI-UWHLTILDSA-N 1 1 485.633 2.676 20 0 JFADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291018010 1062931521 /nfs/dbraw/zinc/93/15/21/1062931521.db2.gz ZSWGGKDBKSUNTI-UWHLTILDSA-N 1 1 485.633 2.676 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC001295125784 1062939086 /nfs/dbraw/zinc/93/90/86/1062939086.db2.gz ATPGLZKPNBCAEB-HSZRJFAPSA-N 1 1 495.672 2.755 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)CC2)c1 ZINC001295126195 1062939249 /nfs/dbraw/zinc/93/92/49/1062939249.db2.gz CTPAMBCTQLLKCH-DVECYGJZSA-N 1 1 492.690 2.784 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)c1 ZINC001295125772 1062939340 /nfs/dbraw/zinc/93/93/40/1062939340.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 1 1 497.688 2.561 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001295125808 1062939536 /nfs/dbraw/zinc/93/95/36/1062939536.db2.gz BHMTWPHIDVLXRE-UHFFFAOYSA-N 1 1 476.629 2.976 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)OC(C)(C)C2)c1 ZINC001295126007 1062939898 /nfs/dbraw/zinc/93/98/98/1062939898.db2.gz BOGJDMXJBNDRHF-LJQANCHMSA-N 1 1 454.619 2.904 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCN(CC(=O)NC(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001295126008 1062940197 /nfs/dbraw/zinc/94/01/97/1062940197.db2.gz BOTBEGPBHIFZFP-UHFFFAOYSA-N 1 1 469.678 2.722 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001287485719 1062940804 /nfs/dbraw/zinc/94/08/04/1062940804.db2.gz ATZAHZYJAXBPKT-JTHBVZDNSA-N 1 1 488.702 2.859 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295126452 1062942061 /nfs/dbraw/zinc/94/20/61/1062942061.db2.gz HHPKYYFMKYPJHP-IGKIAQTJSA-N 1 1 498.672 2.924 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC)CC2)c1 ZINC001295126401 1062942164 /nfs/dbraw/zinc/94/21/64/1062942164.db2.gz GCWMSRAHQPXPFB-UHFFFAOYSA-N 1 1 453.635 2.972 20 0 JFADMO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC3)CC2)c1 ZINC001295126717 1062942802 /nfs/dbraw/zinc/94/28/02/1062942802.db2.gz ITZOPCXIRWHNBW-UHFFFAOYSA-N 1 1 453.635 2.591 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC3)CC2)c1 ZINC001295126717 1062942824 /nfs/dbraw/zinc/94/28/24/1062942824.db2.gz ITZOPCXIRWHNBW-UHFFFAOYSA-N 1 1 453.635 2.591 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2C)c1 ZINC001295126653 1062942880 /nfs/dbraw/zinc/94/28/80/1062942880.db2.gz HMJQTOWGBLYFRJ-UHFFFAOYSA-N 1 1 464.618 2.692 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291022842 1062943284 /nfs/dbraw/zinc/94/32/84/1062943284.db2.gz MDICAUNQIKKRGL-YDZRNGNQSA-N 1 1 496.703 2.648 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001295126913 1062943571 /nfs/dbraw/zinc/94/35/71/1062943571.db2.gz IXMCNSIZSPOAPI-OAQYLSRUSA-N 1 1 483.642 2.639 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001295127146 1062945165 /nfs/dbraw/zinc/94/51/65/1062945165.db2.gz MEPACZAENWXPJS-WAOWUJCRSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001287488194 1062945607 /nfs/dbraw/zinc/94/56/07/1062945607.db2.gz WXVCYCKANYHNLF-OAQYLSRUSA-N 1 1 474.675 2.613 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC001295127775 1062947348 /nfs/dbraw/zinc/94/73/48/1062947348.db2.gz UHNPWSODYOVFIP-UHFFFAOYSA-N 1 1 478.645 2.953 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001295127827 1062947388 /nfs/dbraw/zinc/94/73/88/1062947388.db2.gz VPAUIWBWSRHEKE-UHFFFAOYSA-N 1 1 462.602 2.588 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC001295127958 1062948096 /nfs/dbraw/zinc/94/80/96/1062948096.db2.gz XOYIKWKREIOGDJ-HXUWFJFHSA-N 1 1 467.662 2.691 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC001295128150 1062948524 /nfs/dbraw/zinc/94/85/24/1062948524.db2.gz XZCFSMAXCMHSMX-VWLOTQADSA-N 1 1 492.672 2.944 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC001295128165 1062948696 /nfs/dbraw/zinc/94/86/96/1062948696.db2.gz YFUVVXHDVDNIAM-JOCHJYFZSA-N 1 1 483.661 2.912 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287505611 1062953952 /nfs/dbraw/zinc/95/39/52/1062953952.db2.gz NUCOAYXNEPRTSP-BGYRXZFFSA-N 1 1 476.666 2.891 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287505611 1062953981 /nfs/dbraw/zinc/95/39/81/1062953981.db2.gz NUCOAYXNEPRTSP-BGYRXZFFSA-N 1 1 476.666 2.891 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C(C)C ZINC001295138959 1062957593 /nfs/dbraw/zinc/95/75/93/1062957593.db2.gz XZKIEJIUPXBLFR-NRFANRHFSA-N 1 1 463.586 2.775 20 0 JFADMO C[C@@H]1C[C@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@@H+]1Cc1ccccc1 ZINC001295142552 1062960573 /nfs/dbraw/zinc/96/05/73/1062960573.db2.gz LILPOOXSGRYBLX-MJGOQNOKSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@@H]1C[C@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@H+]1Cc1ccccc1 ZINC001295142552 1062960593 /nfs/dbraw/zinc/96/05/93/1062960593.db2.gz LILPOOXSGRYBLX-MJGOQNOKSA-N 1 1 450.514 2.904 20 0 JFADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](C)C1CCC1 ZINC001295144994 1062963780 /nfs/dbraw/zinc/96/37/80/1062963780.db2.gz MNXKDQNOCCMCNC-IRXDYDNUSA-N 1 1 486.646 2.841 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145518 1062965873 /nfs/dbraw/zinc/96/58/73/1062965873.db2.gz FJWCIRYYVMIYOZ-MSOLQXFVSA-N 1 1 455.452 2.974 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145521 1062966096 /nfs/dbraw/zinc/96/60/96/1062966096.db2.gz FJWCIRYYVMIYOZ-QZTJIDSGSA-N 1 1 455.452 2.974 20 0 JFADMO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCOCC1(C)C)C(C)C ZINC001295151842 1062970968 /nfs/dbraw/zinc/97/09/68/1062970968.db2.gz KNMXDOBQDRSXTQ-UHFFFAOYSA-N 1 1 477.679 2.892 20 0 JFADMO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCOCC1(C)C)C(C)C ZINC001295151842 1062970981 /nfs/dbraw/zinc/97/09/81/1062970981.db2.gz KNMXDOBQDRSXTQ-UHFFFAOYSA-N 1 1 477.679 2.892 20 0 JFADMO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[NH+]1CCOCC1)C(C)C ZINC001295152405 1062972241 /nfs/dbraw/zinc/97/22/41/1062972241.db2.gz PDGFGOLTPFNQHM-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051103 1062980118 /nfs/dbraw/zinc/98/01/18/1062980118.db2.gz ACSRBTWCMNUPMZ-MTQWNXOMSA-N 1 1 462.683 2.574 20 0 JFADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001295157312 1062980922 /nfs/dbraw/zinc/98/09/22/1062980922.db2.gz ZAXHLFPSEFOIBM-GOSISDBHSA-N 1 1 471.631 2.889 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001291051390 1062981462 /nfs/dbraw/zinc/98/14/62/1062981462.db2.gz DXAMZPUEMDHDFS-KSZLIROESA-N 1 1 485.599 2.813 20 0 JFADMO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC001295157735 1062981475 /nfs/dbraw/zinc/98/14/75/1062981475.db2.gz IPVPBTQWSJDQPZ-SFTDATJTSA-N 1 1 496.077 2.849 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCSC2)CC1 ZINC001291052776 1062985115 /nfs/dbraw/zinc/98/51/15/1062985115.db2.gz YBYCVJLMWNFIED-JXALWOEJSA-N 1 1 464.724 2.730 20 0 JFADMO CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287567546 1062988687 /nfs/dbraw/zinc/98/86/87/1062988687.db2.gz RDGBFLVQOGGQCY-PKTZIBPZSA-N 1 1 462.683 2.840 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[N@@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295176079 1063000257 /nfs/dbraw/zinc/00/02/57/1063000257.db2.gz NYXDLEQWNKTTOD-IBGZPJMESA-N 1 1 491.658 2.850 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295184982 1063007753 /nfs/dbraw/zinc/00/77/53/1063007753.db2.gz PXNOTQYTBHXDTL-PMACEKPBSA-N 1 1 460.648 2.866 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295184983 1063008211 /nfs/dbraw/zinc/00/82/11/1063008211.db2.gz PXNOTQYTBHXDTL-UXHICEINSA-N 1 1 460.648 2.866 20 0 JFADMO CCn1c2ccc(C(=O)N(Cc3ccc(O)cc3)C[C@@H]3CCC[N@H+]3CC)cc2[nH]c(=O)c1=O ZINC001295188483 1063011385 /nfs/dbraw/zinc/01/13/85/1063011385.db2.gz YGPPKRIGUVOQAA-IBGZPJMESA-N 1 1 450.539 2.542 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001295188535 1063011753 /nfs/dbraw/zinc/01/17/53/1063011753.db2.gz ZCVMIMGBVJARSH-OAQYLSRUSA-N 1 1 450.539 2.571 20 0 JFADMO C[C@H]1CCC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291068193 1063016005 /nfs/dbraw/zinc/01/60/05/1063016005.db2.gz KNCSAXQAJNOPOT-UNMCSNQZSA-N 1 1 459.683 2.803 20 0 JFADMO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220610 1063040166 /nfs/dbraw/zinc/04/01/66/1063040166.db2.gz PUIJLMPGVKAYQD-VXKWHMMOSA-N 1 1 475.659 2.706 20 0 JFADMO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220610 1063040182 /nfs/dbraw/zinc/04/01/82/1063040182.db2.gz PUIJLMPGVKAYQD-VXKWHMMOSA-N 1 1 475.659 2.706 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693573 1063040779 /nfs/dbraw/zinc/04/07/79/1063040779.db2.gz MXKJLYVKWQJUDE-RDJZCZTQSA-N 1 1 455.360 2.923 20 0 JFADMO CC(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001287716191 1063047826 /nfs/dbraw/zinc/04/78/26/1063047826.db2.gz CRFKIZYCVMEAGY-IBGZPJMESA-N 1 1 490.674 2.541 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095964 1063056270 /nfs/dbraw/zinc/05/62/70/1063056270.db2.gz VXXNVLMPPDBCNM-PMACEKPBSA-N 1 1 458.655 2.841 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096322 1063056794 /nfs/dbraw/zinc/05/67/94/1063056794.db2.gz BWRYXODSLGELMC-VQTJNVASSA-N 1 1 468.712 2.897 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096321 1063057016 /nfs/dbraw/zinc/05/70/16/1063057016.db2.gz BWRYXODSLGELMC-UXHICEINSA-N 1 1 468.712 2.897 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736524 1063059662 /nfs/dbraw/zinc/05/96/62/1063059662.db2.gz ATYJWHNCRUKKIL-WTGUMLROSA-N 1 1 452.669 2.635 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738558 1063061613 /nfs/dbraw/zinc/06/16/13/1063061613.db2.gz PDHSOXZIADQBGC-VQTJNVASSA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738556 1063061647 /nfs/dbraw/zinc/06/16/47/1063061647.db2.gz PDHSOXZIADQBGC-PMACEKPBSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291098110 1063061866 /nfs/dbraw/zinc/06/18/66/1063061866.db2.gz IAFKHWWFVIUVDR-ROUUACIJSA-N 1 1 472.556 2.823 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739244 1063062192 /nfs/dbraw/zinc/06/21/92/1063062192.db2.gz RMYZLQORDKCQBY-DLBZAZTESA-N 1 1 476.638 2.738 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001291098618 1063062614 /nfs/dbraw/zinc/06/26/14/1063062614.db2.gz RAMUKLJLUAXZEH-KRWDZBQOSA-N 1 1 469.055 2.848 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291099475 1063066130 /nfs/dbraw/zinc/06/61/30/1063066130.db2.gz IJKPDRLQZPBMRV-UXHICEINSA-N 1 1 492.665 2.743 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291100741 1063069421 /nfs/dbraw/zinc/06/94/21/1063069421.db2.gz HCIOXHYASLGGCB-HXUWFJFHSA-N 1 1 470.666 2.884 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100947 1063069715 /nfs/dbraw/zinc/06/97/15/1063069715.db2.gz KOIGLPZRWCMANA-LWIATZKVSA-N 1 1 476.666 2.700 20 0 JFADMO CCN(c1nnc(COc2ccc(OC)cc2)n1CC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295257287 1063073837 /nfs/dbraw/zinc/07/38/37/1063073837.db2.gz DJXZRDWUROVNTQ-FQEVSTJZSA-N 1 1 491.658 2.611 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101751 1063073816 /nfs/dbraw/zinc/07/38/16/1063073816.db2.gz APPAYPDMBCJGOI-UXHICEINSA-N 1 1 496.722 2.796 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001291102295 1063076940 /nfs/dbraw/zinc/07/69/40/1063076940.db2.gz KOGGTABDKZANKI-MRXNPFEDSA-N 1 1 474.564 2.739 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1CCC[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001295260449 1063078019 /nfs/dbraw/zinc/07/80/19/1063078019.db2.gz FYZKFQPGIOBIAQ-LEWJYISDSA-N 1 1 461.632 2.665 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291102820 1063078344 /nfs/dbraw/zinc/07/83/44/1063078344.db2.gz TVASCWJJPTVQGC-MOPGFXCFSA-N 1 1 475.663 2.649 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103368 1063081045 /nfs/dbraw/zinc/08/10/45/1063081045.db2.gz CQRBNYHWFCGWSE-PMACEKPBSA-N 1 1 473.691 2.920 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCS(C)(=O)=O)CC1 ZINC001287752881 1063081758 /nfs/dbraw/zinc/08/17/58/1063081758.db2.gz QDEKDRIALYPDLE-UHFFFAOYSA-N 1 1 484.464 2.920 20 0 JFADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291103950 1063082251 /nfs/dbraw/zinc/08/22/51/1063082251.db2.gz MSHUWHUFBUDUAC-VAMGGRTRSA-N 1 1 489.665 2.738 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104179 1063082776 /nfs/dbraw/zinc/08/27/76/1063082776.db2.gz QKDRYKXYXHMALZ-KURKYZTESA-N 1 1 461.636 2.571 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104180 1063083030 /nfs/dbraw/zinc/08/30/30/1063083030.db2.gz QKDRYKXYXHMALZ-KZNAEPCWSA-N 1 1 461.636 2.571 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291104346 1063084208 /nfs/dbraw/zinc/08/42/08/1063084208.db2.gz SKUKYGOUHOHFHB-NJYVYQBISA-N 1 1 496.660 2.787 20 0 JFADMO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104888 1063084862 /nfs/dbraw/zinc/08/48/62/1063084862.db2.gz BJXSOJWPVXXPPX-MSOLQXFVSA-N 1 1 473.647 2.532 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001287758893 1063084932 /nfs/dbraw/zinc/08/49/32/1063084932.db2.gz FACRMBFAKIAXJF-KRWDZBQOSA-N 1 1 496.475 2.920 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295267348 1063086731 /nfs/dbraw/zinc/08/67/31/1063086731.db2.gz UIXPLZGJRBQKHU-RBUKOAKNSA-N 1 1 454.685 2.772 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001287761458 1063087339 /nfs/dbraw/zinc/08/73/39/1063087339.db2.gz KZIJTRJCRQBFQD-FQEVSTJZSA-N 1 1 462.602 2.560 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@H]21)[N@H+]1CCC[C@@H](C)C1 ZINC001291105415 1063087527 /nfs/dbraw/zinc/08/75/27/1063087527.db2.gz JBSJIXBMYOKHBZ-SWBPCFCJSA-N 1 1 452.669 2.778 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105886 1063089632 /nfs/dbraw/zinc/08/96/32/1063089632.db2.gz PBZTUUZZGCNGPI-MOPGFXCFSA-N 1 1 460.648 2.584 20 0 JFADMO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291105989 1063090357 /nfs/dbraw/zinc/09/03/57/1063090357.db2.gz QIKRQIOMRMRZFA-ZWKOTPCHSA-N 1 1 474.631 2.797 20 0 JFADMO C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCCCCO)[N@H+]1CCC[C@@H](C)C1 ZINC001291106029 1063091347 /nfs/dbraw/zinc/09/13/47/1063091347.db2.gz QRFYEEPYEHHIKF-WOJBJXKFSA-N 1 1 481.645 2.911 20 0 JFADMO CC(C)CN1CCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)[C@H](C)C1=O ZINC001287768040 1063093553 /nfs/dbraw/zinc/09/35/53/1063093553.db2.gz JIKWBRXMCUEKHH-OAQYLSRUSA-N 1 1 473.710 2.902 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291107072 1063094761 /nfs/dbraw/zinc/09/47/61/1063094761.db2.gz FUXDFNBTQGKHSK-ROUUACIJSA-N 1 1 467.611 2.597 20 0 JFADMO C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291107686 1063097329 /nfs/dbraw/zinc/09/73/29/1063097329.db2.gz LQEZGSOZQJEDEL-LEWJYISDSA-N 1 1 458.626 2.897 20 0 JFADMO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107553 1063097402 /nfs/dbraw/zinc/09/74/02/1063097402.db2.gz KEWAAMXXCNOAFF-QYZOEREBSA-N 1 1 455.669 2.552 20 0 JFADMO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107887 1063097943 /nfs/dbraw/zinc/09/79/43/1063097943.db2.gz NRPUKAGCSZEPIC-AQNXPRMDSA-N 1 1 466.696 2.774 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291108303 1063099147 /nfs/dbraw/zinc/09/91/47/1063099147.db2.gz UDGAXXRDCKSKHW-NHCUHLMSSA-N 1 1 461.699 2.634 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108321 1063099568 /nfs/dbraw/zinc/09/95/68/1063099568.db2.gz UMZPUAKCBRBXFK-QYZOEREBSA-N 1 1 465.639 2.998 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108546 1063101120 /nfs/dbraw/zinc/10/11/20/1063101120.db2.gz XFLHNIRAVGEQCQ-DBYOASNMSA-N 1 1 481.707 2.942 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108548 1063101233 /nfs/dbraw/zinc/10/12/33/1063101233.db2.gz XFLHNIRAVGEQCQ-FIXDAVPBSA-N 1 1 481.707 2.942 20 0 JFADMO C[C@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109812 1063106419 /nfs/dbraw/zinc/10/64/19/1063106419.db2.gz RRDZOSNSHRLVEF-KCYZZUKISA-N 1 1 486.593 2.529 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291110076 1063107511 /nfs/dbraw/zinc/10/75/11/1063107511.db2.gz XBXUBQYOVUVYOX-AABGKKOBSA-N 1 1 489.665 2.797 20 0 JFADMO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295280560 1063121801 /nfs/dbraw/zinc/12/18/01/1063121801.db2.gz JAYZORPFWZHCNV-LJQANCHMSA-N 1 1 467.618 2.643 20 0 JFADMO CCN(CC(C)C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001295285409 1063131926 /nfs/dbraw/zinc/13/19/26/1063131926.db2.gz QOCUJXHYDZJOTR-PMACEKPBSA-N 1 1 484.711 2.604 20 0 JFADMO CCN(CC(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001295285411 1063131959 /nfs/dbraw/zinc/13/19/59/1063131959.db2.gz QOCUJXHYDZJOTR-VQTJNVASSA-N 1 1 484.711 2.604 20 0 JFADMO C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001291120763 1063132090 /nfs/dbraw/zinc/13/20/90/1063132090.db2.gz JHIZCGJDGDVGGK-IRLDBZIGSA-N 1 1 453.635 2.833 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295291723 1063136817 /nfs/dbraw/zinc/13/68/17/1063136817.db2.gz FWFQIQKSABIGFL-OFNKIYASSA-N 1 1 450.587 2.929 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291123522 1063137297 /nfs/dbraw/zinc/13/72/97/1063137297.db2.gz LZWSTYFQYDFBBH-INIZCTEOSA-N 1 1 478.439 2.826 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295291952 1063137956 /nfs/dbraw/zinc/13/79/56/1063137956.db2.gz JBFPIZUNGDDZRG-OFNKIYASSA-N 1 1 452.603 2.873 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123538 1063138342 /nfs/dbraw/zinc/13/83/42/1063138342.db2.gz MJLPPTIRNWXFEV-FCHUYYIVSA-N 1 1 497.692 2.824 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124555 1063143710 /nfs/dbraw/zinc/14/37/10/1063143710.db2.gz GNOVOIFLWLARHJ-IRLDBZIGSA-N 1 1 496.722 2.892 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001291125092 1063146559 /nfs/dbraw/zinc/14/65/59/1063146559.db2.gz OQQNJLCHGNAJDQ-PMACEKPBSA-N 1 1 469.696 2.944 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)C1 ZINC001291125485 1063147848 /nfs/dbraw/zinc/14/78/48/1063147848.db2.gz VIEUZVBXRNLCOP-GUDVDZBRSA-N 1 1 455.694 2.634 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(C3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125653 1063148864 /nfs/dbraw/zinc/14/88/64/1063148864.db2.gz YHSSXOLOONEHCO-SFHVURJKSA-N 1 1 452.669 2.528 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291125902 1063151175 /nfs/dbraw/zinc/15/11/75/1063151175.db2.gz CWWDTPKXXFTHFY-NRFANRHFSA-N 1 1 495.672 2.889 20 0 JFADMO C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125894 1063151222 /nfs/dbraw/zinc/15/12/22/1063151222.db2.gz CUHFXNOOELVJBN-FGTMMUONSA-N 1 1 466.627 2.957 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126422 1063154661 /nfs/dbraw/zinc/15/46/61/1063154661.db2.gz MEBVPPOJVXTSKF-GMAHTHKFSA-N 1 1 468.646 2.986 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126369 1063154757 /nfs/dbraw/zinc/15/47/57/1063154757.db2.gz LAMGDTCNEBELIU-OAHLLOKOSA-N 1 1 470.544 2.537 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126931 1063158118 /nfs/dbraw/zinc/15/81/18/1063158118.db2.gz VSALZEXFEQYQTR-ZUQCGGBESA-N 1 1 460.648 2.522 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291128648 1063165276 /nfs/dbraw/zinc/16/52/76/1063165276.db2.gz ACEDQVYSWVWLJJ-MJGOQNOKSA-N 1 1 479.551 2.501 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128793 1063166543 /nfs/dbraw/zinc/16/65/43/1063166543.db2.gz CTDIKQYNYKUSMW-QZTJIDSGSA-N 1 1 451.612 2.609 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291129031 1063167552 /nfs/dbraw/zinc/16/75/52/1063167552.db2.gz HKNDWFAZXPYXPC-LJQANCHMSA-N 1 1 495.093 2.726 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001291129028 1063167730 /nfs/dbraw/zinc/16/77/30/1063167730.db2.gz HHEFDOQKMMBOIF-HZPDHXFCSA-N 1 1 461.554 2.611 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001291129113 1063168652 /nfs/dbraw/zinc/16/86/52/1063168652.db2.gz JCKHZDLDMHYCNN-HXUWFJFHSA-N 1 1 497.692 2.535 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129347 1063169981 /nfs/dbraw/zinc/16/99/81/1063169981.db2.gz MQLVYIUHRZFSFD-IAGOWNOFSA-N 1 1 469.602 2.748 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(CC3CC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001291129507 1063172167 /nfs/dbraw/zinc/17/21/67/1063172167.db2.gz POIJVFKDJPTJSD-MRXNPFEDSA-N 1 1 456.557 2.857 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001295307065 1063172235 /nfs/dbraw/zinc/17/22/35/1063172235.db2.gz FCXVOEWYXNYQIS-TZIWHRDSSA-N 1 1 473.666 2.518 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001295307063 1063172296 /nfs/dbraw/zinc/17/22/96/1063172296.db2.gz FCXVOEWYXNYQIS-PZJWPPBQSA-N 1 1 473.666 2.518 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129944 1063174570 /nfs/dbraw/zinc/17/45/70/1063174570.db2.gz XNURJKDXWMCSOB-MOPGFXCFSA-N 1 1 491.681 2.825 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(CCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291129968 1063175451 /nfs/dbraw/zinc/17/54/51/1063175451.db2.gz XZDTVTIWJHIJHA-NRFANRHFSA-N 1 1 488.702 2.655 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(N3CCN(CC(=O)N4CCCCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291130195 1063176785 /nfs/dbraw/zinc/17/67/85/1063176785.db2.gz CTJNVJHGXHNHSN-QFIPXVFZSA-N 1 1 473.710 2.832 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001295308011 1063177391 /nfs/dbraw/zinc/17/73/91/1063177391.db2.gz RVVSVMFFYHGQTM-QFIPXVFZSA-N 1 1 495.672 2.873 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291130763 1063177686 /nfs/dbraw/zinc/17/76/86/1063177686.db2.gz OQRSFBOAWLIGFE-TZBSWOFLSA-N 1 1 479.666 2.681 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291131173 1063179014 /nfs/dbraw/zinc/17/90/14/1063179014.db2.gz WPZIWLPWBQSYTO-VNTMZGSJSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291136162 1063191111 /nfs/dbraw/zinc/19/11/11/1063191111.db2.gz RFHRBHJDRWRIOY-MOPGFXCFSA-N 1 1 488.658 2.599 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001295315718 1063191519 /nfs/dbraw/zinc/19/15/19/1063191519.db2.gz ZRRUOOAULQUDOI-ICSRJNTNSA-N 1 1 490.052 2.799 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291138379 1063200261 /nfs/dbraw/zinc/20/02/61/1063200261.db2.gz INXHAMRQOWUPFL-UYAOXDASSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291139041 1063201417 /nfs/dbraw/zinc/20/14/17/1063201417.db2.gz UXYZQOFSUYUUIR-UYAOXDASSA-N 1 1 463.623 2.896 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291139076 1063202383 /nfs/dbraw/zinc/20/23/83/1063202383.db2.gz VJPQJBUYWRRZKC-QUCCMNQESA-N 1 1 455.607 2.852 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295322679 1063205463 /nfs/dbraw/zinc/20/54/63/1063205463.db2.gz CVZGGQMLUUBVEK-DENIHFKCSA-N 1 1 470.618 2.970 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001295323443 1063206812 /nfs/dbraw/zinc/20/68/12/1063206812.db2.gz FPLQZPTXZKECRE-NHCUHLMSSA-N 1 1 476.666 2.510 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140476 1063208711 /nfs/dbraw/zinc/20/87/11/1063208711.db2.gz ZFURNDJGBDIEOO-QZTJIDSGSA-N 1 1 450.628 2.790 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001295325868 1063212019 /nfs/dbraw/zinc/21/20/19/1063212019.db2.gz VAJUZWHMQOINTE-RTBURBONSA-N 1 1 487.674 2.591 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCOC2CCCCCC2)CC1 ZINC001295326844 1063217017 /nfs/dbraw/zinc/21/70/17/1063217017.db2.gz DDNQSPNIHQXJGF-UHFFFAOYSA-N 1 1 498.676 2.855 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CCOC2CCCCCC2)CC1 ZINC001295326844 1063217034 /nfs/dbraw/zinc/21/70/34/1063217034.db2.gz DDNQSPNIHQXJGF-UHFFFAOYSA-N 1 1 498.676 2.855 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295326804 1063217338 /nfs/dbraw/zinc/21/73/38/1063217338.db2.gz BOZIJWJBXCYCCC-UHFFFAOYSA-N 1 1 478.645 2.724 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295326804 1063217357 /nfs/dbraw/zinc/21/73/57/1063217357.db2.gz BOZIJWJBXCYCCC-UHFFFAOYSA-N 1 1 478.645 2.724 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2CCCc2nccs2)CC1 ZINC001295326867 1063218063 /nfs/dbraw/zinc/21/80/63/1063218063.db2.gz FADGODRIVVRCSJ-UHFFFAOYSA-N 1 1 484.674 2.753 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2CCCc2nccs2)CC1 ZINC001295326867 1063218085 /nfs/dbraw/zinc/21/80/85/1063218085.db2.gz FADGODRIVVRCSJ-UHFFFAOYSA-N 1 1 484.674 2.753 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CC2(OC)CCCC2)CC1 ZINC001295326870 1063218121 /nfs/dbraw/zinc/21/81/21/1063218121.db2.gz FCOAAGXZMZVNEU-UHFFFAOYSA-N 1 1 469.634 2.680 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CC2(OC)CCCC2)CC1 ZINC001295326870 1063218140 /nfs/dbraw/zinc/21/81/40/1063218140.db2.gz FCOAAGXZMZVNEU-UHFFFAOYSA-N 1 1 469.634 2.680 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)c2nccs2)CC1 ZINC001295327425 1063222870 /nfs/dbraw/zinc/22/28/70/1063222870.db2.gz UKYPZEOPIHRIRR-IBGZPJMESA-N 1 1 482.658 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](C)c2nccs2)CC1 ZINC001295327425 1063222886 /nfs/dbraw/zinc/22/28/86/1063222886.db2.gz UKYPZEOPIHRIRR-IBGZPJMESA-N 1 1 482.658 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001295327545 1063223833 /nfs/dbraw/zinc/22/38/33/1063223833.db2.gz WWTDNOFOGVPQCC-HHHXNRCGSA-N 1 1 493.656 2.572 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2)CC1 ZINC001295327545 1063223852 /nfs/dbraw/zinc/22/38/52/1063223852.db2.gz WWTDNOFOGVPQCC-HHHXNRCGSA-N 1 1 493.656 2.572 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295327606 1063224960 /nfs/dbraw/zinc/22/49/60/1063224960.db2.gz YWDZJEUVHBLCGD-GGAORHGYSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295327606 1063224980 /nfs/dbraw/zinc/22/49/80/1063224980.db2.gz YWDZJEUVHBLCGD-GGAORHGYSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCCC2)CC1 ZINC001295328773 1063227655 /nfs/dbraw/zinc/22/76/55/1063227655.db2.gz LLWKBIYMTGPCJT-UHFFFAOYSA-N 1 1 489.709 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCC(=O)N2CCCCCC2)CC1 ZINC001295328773 1063227682 /nfs/dbraw/zinc/22/76/82/1063227682.db2.gz LLWKBIYMTGPCJT-UHFFFAOYSA-N 1 1 489.709 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC2)CC1 ZINC001295329673 1063229324 /nfs/dbraw/zinc/22/93/24/1063229324.db2.gz UPSCYXOKVZKNMC-QFIPXVFZSA-N 1 1 498.672 2.940 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC2)CC1 ZINC001295329673 1063229344 /nfs/dbraw/zinc/22/93/44/1063229344.db2.gz UPSCYXOKVZKNMC-QFIPXVFZSA-N 1 1 498.672 2.940 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC001291145920 1063229567 /nfs/dbraw/zinc/22/95/67/1063229567.db2.gz SDHWMSNSSVBEJI-NRFANRHFSA-N 1 1 486.686 2.731 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291146526 1063230913 /nfs/dbraw/zinc/23/09/13/1063230913.db2.gz GMDWEWUZZPUMMH-PXNSSMCTSA-N 1 1 461.010 2.555 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295330570 1063230871 /nfs/dbraw/zinc/23/08/71/1063230871.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 1 1 461.699 2.831 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295333798 1063232129 /nfs/dbraw/zinc/23/21/29/1063232129.db2.gz ALSZUTGRBFXBLO-BKMJKUGQSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295333798 1063232149 /nfs/dbraw/zinc/23/21/49/1063232149.db2.gz ALSZUTGRBFXBLO-BKMJKUGQSA-N 1 1 497.688 2.706 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001291147044 1063232745 /nfs/dbraw/zinc/23/27/45/1063232745.db2.gz PRTQGNPXQZAVQO-RXVVDRJESA-N 1 1 475.037 2.945 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2nccs2)CC1 ZINC001295333871 1063233743 /nfs/dbraw/zinc/23/37/43/1063233743.db2.gz CZVYRBJZTPLHRF-UHFFFAOYSA-N 1 1 485.633 2.893 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2nccs2)CC1 ZINC001295333871 1063233763 /nfs/dbraw/zinc/23/37/63/1063233763.db2.gz CZVYRBJZTPLHRF-UHFFFAOYSA-N 1 1 485.633 2.893 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCCC2)CC1 ZINC001295334023 1063234740 /nfs/dbraw/zinc/23/47/40/1063234740.db2.gz GBCQLDHVGGZKLU-UHFFFAOYSA-N 1 1 498.672 2.563 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCCC2)CC1 ZINC001295334023 1063234762 /nfs/dbraw/zinc/23/47/62/1063234762.db2.gz GBCQLDHVGGZKLU-UHFFFAOYSA-N 1 1 498.672 2.563 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2F)CC1 ZINC001295334027 1063234903 /nfs/dbraw/zinc/23/49/03/1063234903.db2.gz GBECDSWLCCCSHH-OAQYLSRUSA-N 1 1 472.609 2.740 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2F)CC1 ZINC001295334027 1063234921 /nfs/dbraw/zinc/23/49/21/1063234921.db2.gz GBECDSWLCCCSHH-OAQYLSRUSA-N 1 1 472.609 2.740 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295334029 1063235626 /nfs/dbraw/zinc/23/56/26/1063235626.db2.gz GBQHDTYSTZFKQN-UHFFFAOYSA-N 1 1 469.678 2.971 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295334029 1063235647 /nfs/dbraw/zinc/23/56/47/1063235647.db2.gz GBQHDTYSTZFKQN-UHFFFAOYSA-N 1 1 469.678 2.971 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237183 /nfs/dbraw/zinc/23/71/83/1063237183.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 1 1 475.726 2.979 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295334404 1063239179 /nfs/dbraw/zinc/23/91/79/1063239179.db2.gz NDTMMNJHIQICGG-UHFFFAOYSA-N 1 1 484.693 2.790 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295334404 1063239198 /nfs/dbraw/zinc/23/91/98/1063239198.db2.gz NDTMMNJHIQICGG-UHFFFAOYSA-N 1 1 484.693 2.790 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2CCc2scnc2C)CC1 ZINC001295334608 1063241390 /nfs/dbraw/zinc/24/13/90/1063241390.db2.gz QGCQOJOXPYMGAB-UHFFFAOYSA-N 1 1 461.680 2.865 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2CCc2scnc2C)CC1 ZINC001295334608 1063241409 /nfs/dbraw/zinc/24/14/09/1063241409.db2.gz QGCQOJOXPYMGAB-UHFFFAOYSA-N 1 1 461.680 2.865 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295334683 1063242482 /nfs/dbraw/zinc/24/24/82/1063242482.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)SC)CC1 ZINC001295334840 1063244032 /nfs/dbraw/zinc/24/40/32/1063244032.db2.gz UNVGJOLZKQQFGZ-HXUWFJFHSA-N 1 1 498.701 2.649 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)SC)CC1 ZINC001295334840 1063244050 /nfs/dbraw/zinc/24/40/50/1063244050.db2.gz UNVGJOLZKQQFGZ-HXUWFJFHSA-N 1 1 498.701 2.649 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291158545 1063244978 /nfs/dbraw/zinc/24/49/78/1063244978.db2.gz XYWZKJJSYBQYQX-HXUWFJFHSA-N 1 1 468.627 2.876 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC2(CC)CC2)CC1 ZINC001295335100 1063249650 /nfs/dbraw/zinc/24/96/50/1063249650.db2.gz YTCYXBDNTNNQTF-UHFFFAOYSA-N 1 1 453.635 2.835 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC2(CC)CC2)CC1 ZINC001295335100 1063249669 /nfs/dbraw/zinc/24/96/69/1063249669.db2.gz YTCYXBDNTNNQTF-UHFFFAOYSA-N 1 1 453.635 2.835 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291166758 1063253457 /nfs/dbraw/zinc/25/34/57/1063253457.db2.gz FSGSINMVDNVCRK-UYAOXDASSA-N 1 1 497.612 2.910 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291166758 1063253481 /nfs/dbraw/zinc/25/34/81/1063253481.db2.gz FSGSINMVDNVCRK-UYAOXDASSA-N 1 1 497.612 2.910 20 0 JFADMO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001291171751 1063260453 /nfs/dbraw/zinc/26/04/53/1063260453.db2.gz QFUCIVYNLJJVTM-URVUXULASA-N 1 1 453.635 2.689 20 0 JFADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177286 1063264951 /nfs/dbraw/zinc/26/49/51/1063264951.db2.gz PYWLTCAYUKUPFZ-QUCCMNQESA-N 1 1 458.582 2.785 20 0 JFADMO C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177284 1063265083 /nfs/dbraw/zinc/26/50/83/1063265083.db2.gz PYWLTCAYUKUPFZ-AZUAARDMSA-N 1 1 458.582 2.785 20 0 JFADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C[C@H](C)O1 ZINC001291185578 1063285935 /nfs/dbraw/zinc/28/59/35/1063285935.db2.gz JJCQSYVMKNFYJJ-KDURUIRLSA-N 1 1 478.601 2.845 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C[C@H](C)O1 ZINC001291185578 1063285958 /nfs/dbraw/zinc/28/59/58/1063285958.db2.gz JJCQSYVMKNFYJJ-KDURUIRLSA-N 1 1 478.601 2.845 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295348283 1063291128 /nfs/dbraw/zinc/29/11/28/1063291128.db2.gz OIAKNZWEXGVCGB-UHFFFAOYSA-N 1 1 463.030 2.918 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186658 1063291824 /nfs/dbraw/zinc/29/18/24/1063291824.db2.gz INMXITCBJLKWFR-SVFBPWRDSA-N 1 1 476.666 2.889 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291186693 1063291944 /nfs/dbraw/zinc/29/19/44/1063291944.db2.gz IZLRQTJIOWWVFU-CALCHBBNSA-N 1 1 491.591 2.664 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291186746 1063292719 /nfs/dbraw/zinc/29/27/19/1063292719.db2.gz JOCYTFLGPGUBJK-VWPQPMDRSA-N 1 1 490.693 2.755 20 0 JFADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOCC2)C[C@@H](C)O1 ZINC001291187685 1063297677 /nfs/dbraw/zinc/29/76/77/1063297677.db2.gz YAPBSPJSETUHRR-QZTJIDSGSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCO[C@@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291187955 1063298858 /nfs/dbraw/zinc/29/88/58/1063298858.db2.gz BPOCXJXYWCHRQW-WSTZPKSXSA-N 1 1 459.639 2.775 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCO[C@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291187953 1063299239 /nfs/dbraw/zinc/29/92/39/1063299239.db2.gz BPOCXJXYWCHRQW-NSHGMRRFSA-N 1 1 459.639 2.775 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291188289 1063302268 /nfs/dbraw/zinc/30/22/68/1063302268.db2.gz HVEKCBXZOQVLHU-SVFBPWRDSA-N 1 1 476.666 2.712 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001291188858 1063305255 /nfs/dbraw/zinc/30/52/55/1063305255.db2.gz RTNNHGWQDACJQM-HDICACEKSA-N 1 1 460.648 2.986 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001291189622 1063311171 /nfs/dbraw/zinc/31/11/71/1063311171.db2.gz FBEHDQSWYOIJMB-QGZVFWFLSA-N 1 1 453.978 2.792 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195919 1063335807 /nfs/dbraw/zinc/33/58/07/1063335807.db2.gz ANXYNNDLTMFEPC-ZWKOTPCHSA-N 1 1 485.599 2.707 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291196334 1063338344 /nfs/dbraw/zinc/33/83/44/1063338344.db2.gz JFGHYNAPJFACJM-IBGZPJMESA-N 1 1 489.665 2.740 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CCS1 ZINC001291199169 1063351703 /nfs/dbraw/zinc/35/17/03/1063351703.db2.gz IKEPRZHJPBZZGB-MRXNPFEDSA-N 1 1 481.091 2.852 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001291200531 1063356121 /nfs/dbraw/zinc/35/61/21/1063356121.db2.gz GULLGWQDHFGECU-HKUYNNGSSA-N 1 1 462.639 2.599 20 0 JFADMO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383931 1063357892 /nfs/dbraw/zinc/35/78/92/1063357892.db2.gz FYDRBFZTINAPJT-TYPHKJRUSA-N 1 1 458.603 2.654 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291206479 1063369397 /nfs/dbraw/zinc/36/93/97/1063369397.db2.gz XALISGXRSNBXAQ-QZTJIDSGSA-N 1 1 454.685 2.881 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295398942 1063385531 /nfs/dbraw/zinc/38/55/31/1063385531.db2.gz VRNPOOVWWJWRGX-HKUYNNGSSA-N 1 1 458.588 2.640 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295398945 1063386311 /nfs/dbraw/zinc/38/63/11/1063386311.db2.gz VRNPOOVWWJWRGX-PKOBYXMFSA-N 1 1 458.588 2.640 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001295403688 1063388307 /nfs/dbraw/zinc/38/83/07/1063388307.db2.gz YMSGRQDISROROT-HKUYNNGSSA-N 1 1 460.604 2.963 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1)c1ccsc1 ZINC001295405251 1063393167 /nfs/dbraw/zinc/39/31/67/1063393167.db2.gz GJLZFCVIGMBBMY-IPMKNSEASA-N 1 1 467.661 2.550 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001295406767 1063396475 /nfs/dbraw/zinc/39/64/75/1063396475.db2.gz LRKRPKUNZZRACN-DFQSSKMNSA-N 1 1 481.688 2.940 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211726 1063396414 /nfs/dbraw/zinc/39/64/14/1063396414.db2.gz ZUZQNRCLBIEQMD-MAUKXSAKSA-N 1 1 492.466 2.833 20 0 JFADMO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001295414786 1063418190 /nfs/dbraw/zinc/41/81/90/1063418190.db2.gz LAZPTGGENLGMFM-UHFFFAOYSA-N 1 1 481.649 2.515 20 0 JFADMO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001295414786 1063418198 /nfs/dbraw/zinc/41/81/98/1063418198.db2.gz LAZPTGGENLGMFM-UHFFFAOYSA-N 1 1 481.649 2.515 20 0 JFADMO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001295421579 1063436694 /nfs/dbraw/zinc/43/66/94/1063436694.db2.gz WTPYTKMIJYQHOK-OAQYLSRUSA-N 1 1 471.650 2.966 20 0 JFADMO CCN(CC)c1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001295421579 1063436703 /nfs/dbraw/zinc/43/67/03/1063436703.db2.gz WTPYTKMIJYQHOK-OAQYLSRUSA-N 1 1 471.650 2.966 20 0 JFADMO CC(=O)N[C@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001295449058 1063453630 /nfs/dbraw/zinc/45/36/30/1063453630.db2.gz XNBABYHBLCHWFE-LJQANCHMSA-N 1 1 454.409 2.833 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291228478 1063478418 /nfs/dbraw/zinc/47/84/18/1063478418.db2.gz SLMLNSOUQUKQPY-HDMKZQKVSA-N 1 1 457.472 2.961 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237463 1063502967 /nfs/dbraw/zinc/50/29/67/1063502967.db2.gz XNWMFDIHLKHAAD-FUHWJXTLSA-N 1 1 466.556 2.928 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237464 1063503148 /nfs/dbraw/zinc/50/31/48/1063503148.db2.gz XNWMFDIHLKHAAD-SJLPKXTDSA-N 1 1 466.556 2.928 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291238126 1063505704 /nfs/dbraw/zinc/50/57/04/1063505704.db2.gz KBUDGMAPXCVHGU-WMZOPIPTSA-N 1 1 489.621 2.695 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 ZINC001291238140 1063505781 /nfs/dbraw/zinc/50/57/81/1063505781.db2.gz KHVWJKKRYOQAKL-INIZCTEOSA-N 1 1 451.666 2.520 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 ZINC001291238653 1063507783 /nfs/dbraw/zinc/50/77/83/1063507783.db2.gz USSBEGIBEIMDOZ-KRWDZBQOSA-N 1 1 465.693 2.910 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@H+](C2CCC2)C1 ZINC001291240860 1063510924 /nfs/dbraw/zinc/51/09/24/1063510924.db2.gz GYGPQMWEELCWBF-OCCSQVGLSA-N 1 1 461.355 2.528 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242046 1063514855 /nfs/dbraw/zinc/51/48/55/1063514855.db2.gz WHVKMHJLFRFJQO-PKOBYXMFSA-N 1 1 475.638 2.549 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291248368 1063522561 /nfs/dbraw/zinc/52/25/61/1063522561.db2.gz PLOQGTPQRAWGGU-NRAIQUKZSA-N 1 1 462.639 2.551 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249344 1063525737 /nfs/dbraw/zinc/52/57/37/1063525737.db2.gz CXDRPMCFOIVWAV-PCCBWWKXSA-N 1 1 460.667 2.987 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249345 1063526014 /nfs/dbraw/zinc/52/60/14/1063526014.db2.gz CXDRPMCFOIVWAV-PWRODBHTSA-N 1 1 460.667 2.987 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291249531 1063526427 /nfs/dbraw/zinc/52/64/27/1063526427.db2.gz GQTNCPXTCOYVLM-LJQANCHMSA-N 1 1 456.639 2.796 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291252362 1063533734 /nfs/dbraw/zinc/53/37/34/1063533734.db2.gz SCGRFFBMBUNWKY-RBUKOAKNSA-N 1 1 462.639 2.960 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291264561 1063563817 /nfs/dbraw/zinc/56/38/17/1063563817.db2.gz FHDUHRHVGUWJPK-FUHWJXTLSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291264561 1063563834 /nfs/dbraw/zinc/56/38/34/1063563834.db2.gz FHDUHRHVGUWJPK-FUHWJXTLSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291265355 1063566350 /nfs/dbraw/zinc/56/63/50/1063566350.db2.gz SFRMUWYAJQUUGJ-WBVHZDCISA-N 1 1 456.538 2.674 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267388 1063570550 /nfs/dbraw/zinc/57/05/50/1063570550.db2.gz DXVPVJHRHVOXKC-FQEVSTJZSA-N 1 1 499.660 2.820 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267388 1063570568 /nfs/dbraw/zinc/57/05/68/1063570568.db2.gz DXVPVJHRHVOXKC-FQEVSTJZSA-N 1 1 499.660 2.820 20 0 JFADMO C[C@H]1CN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001291269586 1063574845 /nfs/dbraw/zinc/57/48/45/1063574845.db2.gz RUTPYCJIHLITFD-SFHVURJKSA-N 1 1 462.639 2.787 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291277053 1063589534 /nfs/dbraw/zinc/58/95/34/1063589534.db2.gz WXXXRUHCDZTFJD-LJQANCHMSA-N 1 1 489.665 2.721 20 0 JFADMO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001291282107 1063611736 /nfs/dbraw/zinc/61/17/36/1063611736.db2.gz KLDCCEZYDMLMII-SFHLNBCPSA-N 1 1 461.582 2.967 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291282310 1063612444 /nfs/dbraw/zinc/61/24/44/1063612444.db2.gz NMLJDTFZNUWBOP-SFHVURJKSA-N 1 1 458.582 2.785 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001295576077 1063614571 /nfs/dbraw/zinc/61/45/71/1063614571.db2.gz PFEDUWLBOJURMW-HZPDHXFCSA-N 1 1 493.584 2.652 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001295577334 1063615469 /nfs/dbraw/zinc/61/54/69/1063615469.db2.gz YLFSGZOIFZJKGC-KRWDZBQOSA-N 1 1 457.529 2.887 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291285515 1063626992 /nfs/dbraw/zinc/62/69/92/1063626992.db2.gz SHSQXXFVXQWQJD-XDNAFOTISA-N 1 1 461.529 2.642 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295588490 1063633260 /nfs/dbraw/zinc/63/32/60/1063633260.db2.gz HLWWRINOJQAEAN-WBVHZDCISA-N 1 1 467.039 2.939 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286981 1063635354 /nfs/dbraw/zinc/63/53/54/1063635354.db2.gz RYDAEEUBPLHKIB-RTBURBONSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286981 1063635401 /nfs/dbraw/zinc/63/54/01/1063635401.db2.gz RYDAEEUBPLHKIB-RTBURBONSA-N 1 1 463.648 2.540 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287404 1063638726 /nfs/dbraw/zinc/63/87/26/1063638726.db2.gz BACJHNLVVYYZTQ-RDGPPVDQSA-N 1 1 496.703 2.791 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C ZINC001291287473 1063639578 /nfs/dbraw/zinc/63/95/78/1063639578.db2.gz CECIRDXRDKXAEQ-OAQYLSRUSA-N 1 1 461.614 2.843 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595930 1063640794 /nfs/dbraw/zinc/64/07/94/1063640794.db2.gz VZQWKQRONJCHQD-IRLDBZIGSA-N 1 1 472.609 2.890 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595929 1063640818 /nfs/dbraw/zinc/64/08/18/1063640818.db2.gz VZQWKQRONJCHQD-IFMALSPDSA-N 1 1 472.609 2.890 20 0 JFADMO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287868 1063644144 /nfs/dbraw/zinc/64/41/44/1063644144.db2.gz IUPACIGJPLPEOE-IBGZPJMESA-N 1 1 463.648 2.942 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F ZINC001291288117 1063646623 /nfs/dbraw/zinc/64/66/23/1063646623.db2.gz NFESSWXMOZOPCR-SFHVURJKSA-N 1 1 487.530 2.653 20 0 JFADMO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291288257 1063647861 /nfs/dbraw/zinc/64/78/61/1063647861.db2.gz PFVAZRAWJLOYKD-GBESFXJTSA-N 1 1 475.663 2.710 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291288415 1063648492 /nfs/dbraw/zinc/64/84/92/1063648492.db2.gz SCGKMEPMAHMJHQ-OKZBNKHCSA-N 1 1 461.010 2.765 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001291288418 1063649505 /nfs/dbraw/zinc/64/95/05/1063649505.db2.gz SDLKVIKCMGYTPV-CPJSRVTESA-N 1 1 454.619 2.632 20 0 JFADMO C[C@@H]1C[N@H+](Cc2cccc(Cn3c(N(C)CCCS(C)(=O)=O)nnc3C(C)(C)C)c2)CCO1 ZINC001291288525 1063650470 /nfs/dbraw/zinc/65/04/70/1063650470.db2.gz UGTGEUJJDJUNLE-LJQANCHMSA-N 1 1 477.675 2.716 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2cccc(Cn3c(N(C)CCCS(C)(=O)=O)nnc3C(C)(C)C)c2)CCO1 ZINC001291288525 1063650479 /nfs/dbraw/zinc/65/04/79/1063650479.db2.gz UGTGEUJJDJUNLE-LJQANCHMSA-N 1 1 477.675 2.716 20 0 JFADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295608679 1063658823 /nfs/dbraw/zinc/65/88/23/1063658823.db2.gz XYQOQLIALWIUBP-MJGOQNOKSA-N 1 1 492.646 2.518 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291290092 1063662298 /nfs/dbraw/zinc/66/22/98/1063662298.db2.gz UWYVBXYQLXQFIF-LJQANCHMSA-N 1 1 473.622 2.831 20 0 JFADMO C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC001291292564 1063675881 /nfs/dbraw/zinc/67/58/81/1063675881.db2.gz GHLFFOPATOYWEZ-FGZHOGPDSA-N 1 1 486.709 2.812 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292637 1063677580 /nfs/dbraw/zinc/67/75/80/1063677580.db2.gz HFPCWQIFEMHSKV-OYRHEFFESA-N 1 1 483.661 2.504 20 0 JFADMO CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295636378 1063679669 /nfs/dbraw/zinc/67/96/69/1063679669.db2.gz XAEPQDCJBMFLDG-SFHVURJKSA-N 1 1 469.615 2.982 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCO1 ZINC001291293206 1063683774 /nfs/dbraw/zinc/68/37/74/1063683774.db2.gz QRMWTOZOGYPBKC-HKUYNNGSSA-N 1 1 468.524 2.532 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291293427 1063684498 /nfs/dbraw/zinc/68/44/98/1063684498.db2.gz UTVVVWIPGCWVFH-XJUOHMSHSA-N 1 1 468.646 2.654 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@H+]1CC ZINC001295642768 1063685368 /nfs/dbraw/zinc/68/53/68/1063685368.db2.gz UPVXXUGALSJVGI-UYAOXDASSA-N 1 1 496.703 2.573 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(COc3ccccc3F)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291294088 1063687897 /nfs/dbraw/zinc/68/78/97/1063687897.db2.gz DYLAMPFVMKCIBR-IBGZPJMESA-N 1 1 469.565 2.924 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294074 1063687929 /nfs/dbraw/zinc/68/79/29/1063687929.db2.gz DVRIRIOZXQCKLR-MAUKXSAKSA-N 1 1 461.408 2.859 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294108 1063687933 /nfs/dbraw/zinc/68/79/33/1063687933.db2.gz FGLAKMOJZDJLAN-GHTZIAJQSA-N 1 1 474.675 2.855 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294073 1063687957 /nfs/dbraw/zinc/68/79/57/1063687957.db2.gz DVRIRIOZXQCKLR-CRAIPNDOSA-N 1 1 461.408 2.859 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(C(=O)Cc4ccccc4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294316 1063689680 /nfs/dbraw/zinc/68/96/80/1063689680.db2.gz HYCLYVTXIUNLRQ-JOCHJYFZSA-N 1 1 482.673 2.968 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294651 1063690492 /nfs/dbraw/zinc/69/04/92/1063690492.db2.gz NIYKWZREARBJFE-XJKSGUPXSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294765 1063691487 /nfs/dbraw/zinc/69/14/87/1063691487.db2.gz PEJPPPNSPCFCIT-KGLIPLIRSA-N 1 1 483.361 2.762 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001295650929 1063693044 /nfs/dbraw/zinc/69/30/44/1063693044.db2.gz RUMWMUMNZGQZKO-UHFFFAOYSA-N 1 1 465.650 2.943 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295169 1063693506 /nfs/dbraw/zinc/69/35/06/1063693506.db2.gz VRDYDUUCDFUSCR-MAUKXSAKSA-N 1 1 482.448 2.815 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295453 1063695788 /nfs/dbraw/zinc/69/57/88/1063695788.db2.gz ZHPYQDWSFFNVKW-AZUAARDMSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccccn2)n1CCCN(C)CC(F)(F)F ZINC001291297390 1063698631 /nfs/dbraw/zinc/69/86/31/1063698631.db2.gz YTVWNKAFFAAQSK-IEBWSBKVSA-N 1 1 451.541 2.821 20 0 JFADMO CCN(CC1CC1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295679941 1063717515 /nfs/dbraw/zinc/71/75/15/1063717515.db2.gz UYEQYPAQJOGIMQ-UHFFFAOYSA-N 1 1 490.674 2.543 20 0 JFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)cc2)CC1 ZINC001295683490 1063719065 /nfs/dbraw/zinc/71/90/65/1063719065.db2.gz MPKMNNNCYKBAMW-OALUTQOASA-N 1 1 451.571 2.612 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291306710 1063720020 /nfs/dbraw/zinc/72/00/20/1063720020.db2.gz FEVRYVSRLWHMGW-MRXNPFEDSA-N 1 1 487.958 2.789 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001291306710 1063720039 /nfs/dbraw/zinc/72/00/39/1063720039.db2.gz FEVRYVSRLWHMGW-MRXNPFEDSA-N 1 1 487.958 2.789 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001291307227 1063722436 /nfs/dbraw/zinc/72/24/36/1063722436.db2.gz PCHWVEIAJGMPDJ-CVEARBPZSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001291307227 1063722448 /nfs/dbraw/zinc/72/24/48/1063722448.db2.gz PCHWVEIAJGMPDJ-CVEARBPZSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291307547 1063724463 /nfs/dbraw/zinc/72/44/63/1063724463.db2.gz WIECZOVMSCAYHZ-AWEZNQCLSA-N 1 1 474.915 2.608 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291307547 1063724481 /nfs/dbraw/zinc/72/44/81/1063724481.db2.gz WIECZOVMSCAYHZ-AWEZNQCLSA-N 1 1 474.915 2.608 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 ZINC001291307602 1063725018 /nfs/dbraw/zinc/72/50/18/1063725018.db2.gz XHFWVANRPXEJII-GOEBONIOSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 ZINC001291307602 1063725032 /nfs/dbraw/zinc/72/50/32/1063725032.db2.gz XHFWVANRPXEJII-GOEBONIOSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 ZINC001291307604 1063725103 /nfs/dbraw/zinc/72/51/03/1063725103.db2.gz XHFWVANRPXEJII-ZBFHGGJFSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCSC1 ZINC001291307604 1063725119 /nfs/dbraw/zinc/72/51/19/1063725119.db2.gz XHFWVANRPXEJII-ZBFHGGJFSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001291308326 1063728821 /nfs/dbraw/zinc/72/88/21/1063728821.db2.gz LUYBMIBFARXBTC-CQSZACIVSA-N 1 1 478.420 2.916 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001291308326 1063728836 /nfs/dbraw/zinc/72/88/36/1063728836.db2.gz LUYBMIBFARXBTC-CQSZACIVSA-N 1 1 478.420 2.916 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308481 1063729529 /nfs/dbraw/zinc/72/95/29/1063729529.db2.gz NYOFFHALCAAODP-CTNGQTDRSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308481 1063729542 /nfs/dbraw/zinc/72/95/42/1063729542.db2.gz NYOFFHALCAAODP-CTNGQTDRSA-N 1 1 485.633 2.897 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295722318 1063737677 /nfs/dbraw/zinc/73/76/77/1063737677.db2.gz KGFXMEJDNNMCHV-WIYYLYMNSA-N 1 1 464.408 2.780 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295723865 1063739351 /nfs/dbraw/zinc/73/93/51/1063739351.db2.gz WZVISPWBWKIVNU-DOTOQJQBSA-N 1 1 467.412 2.762 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295723869 1063739856 /nfs/dbraw/zinc/73/98/56/1063739856.db2.gz WZVISPWBWKIVNU-RDJZCZTQSA-N 1 1 467.412 2.762 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@H]1C ZINC001295742055 1063750164 /nfs/dbraw/zinc/75/01/64/1063750164.db2.gz LBSDKHPMDJMJQL-KUHUBIRLSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@H]1C ZINC001295742055 1063750176 /nfs/dbraw/zinc/75/01/76/1063750176.db2.gz LBSDKHPMDJMJQL-KUHUBIRLSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@@H]1C ZINC001295742056 1063750198 /nfs/dbraw/zinc/75/01/98/1063750198.db2.gz LBSDKHPMDJMJQL-LIRRHRJNSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@@H]1C ZINC001295742056 1063750212 /nfs/dbraw/zinc/75/02/12/1063750212.db2.gz LBSDKHPMDJMJQL-LIRRHRJNSA-N 1 1 455.502 2.626 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295758736 1063762622 /nfs/dbraw/zinc/76/26/22/1063762622.db2.gz AFDVZJAADNGNKY-HYBUGGRVSA-N 1 1 494.606 2.954 20 0 JFADMO CCN(CC1CCN(c2nnc(C3CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001295763819 1063769926 /nfs/dbraw/zinc/76/99/26/1063769926.db2.gz PWGJLVSYDJIOAB-XMMPIXPASA-N 1 1 462.639 2.696 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291324803 1063772654 /nfs/dbraw/zinc/77/26/54/1063772654.db2.gz AMBSTVUTXRAUQA-HOYKHHGWSA-N 1 1 461.582 2.847 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295766356 1063774763 /nfs/dbraw/zinc/77/47/63/1063774763.db2.gz LIIJHGSJVNFMDE-NQIIRXRSSA-N 1 1 486.608 2.708 20 0 JFADMO C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291331379 1063787132 /nfs/dbraw/zinc/78/71/32/1063787132.db2.gz IKYPLZSVRCDTDF-DYXWJJEUSA-N 1 1 471.675 2.537 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@@H+](C)C(C)C)C1 ZINC001291339298 1063811839 /nfs/dbraw/zinc/81/18/39/1063811839.db2.gz LEFOHWSKVRSZKQ-LJQANCHMSA-N 1 1 456.591 2.552 20 0 JFADMO CCN(CCCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)S(C)(=O)=O ZINC001295815019 1063817416 /nfs/dbraw/zinc/81/74/16/1063817416.db2.gz FHWURACFJQCVLR-RBBKRZOGSA-N 1 1 490.674 2.512 20 0 JFADMO CCN(CCCn1c(N2CC[NH+](Cc3cccs3)CC2)nnc1C(C)(C)C)S(C)(=O)=O ZINC001295815426 1063818344 /nfs/dbraw/zinc/81/83/44/1063818344.db2.gz IAZUMFHUANVRCD-UHFFFAOYSA-N 1 1 468.693 2.631 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(c2nc(C)no2)CC1)CCC(F)(F)F ZINC001295816391 1063821801 /nfs/dbraw/zinc/82/18/01/1063821801.db2.gz VSLLOQLKOKKHCR-UHFFFAOYSA-N 1 1 498.554 2.864 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1)C(C)C ZINC001295819006 1063823388 /nfs/dbraw/zinc/82/33/88/1063823388.db2.gz FMMJUZZUEJWUCI-SIKLNZKXSA-N 1 1 452.669 2.945 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C ZINC001295819026 1063823484 /nfs/dbraw/zinc/82/34/84/1063823484.db2.gz FZPOKSNVQBCOIA-QGZVFWFLSA-N 1 1 466.627 2.629 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001295819514 1063824161 /nfs/dbraw/zinc/82/41/61/1063824161.db2.gz OTEQSBOOLQPGDR-CYBMUJFWSA-N 1 1 453.440 2.518 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1)C(C)C ZINC001295820636 1063825988 /nfs/dbraw/zinc/82/59/88/1063825988.db2.gz GBDXBRVFKMAPFA-HXUWFJFHSA-N 1 1 469.634 2.636 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1)CCC(F)(F)F ZINC001295821215 1063827126 /nfs/dbraw/zinc/82/71/26/1063827126.db2.gz NFFVNWCRSWKJRV-UHFFFAOYSA-N 1 1 486.543 2.766 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC001295821169 1063827291 /nfs/dbraw/zinc/82/72/91/1063827291.db2.gz MYTVCOSKGUCESX-UHFFFAOYSA-N 1 1 477.654 2.736 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001295821559 1063827856 /nfs/dbraw/zinc/82/78/56/1063827856.db2.gz QRZRKFLYVIEWLP-LJQANCHMSA-N 1 1 455.607 2.544 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(Cl)cn2)CC1)C(C)C ZINC001295821639 1063827996 /nfs/dbraw/zinc/82/79/96/1063827996.db2.gz SDPMWJGKICSGDZ-UHFFFAOYSA-N 1 1 463.030 2.522 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)C(C)C ZINC001295822172 1063828577 /nfs/dbraw/zinc/82/85/77/1063828577.db2.gz XJAZSWRXLASBCO-IBGZPJMESA-N 1 1 484.649 2.787 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C)C1CC1 ZINC001295824290 1063831687 /nfs/dbraw/zinc/83/16/87/1063831687.db2.gz BYGZHMOYXCUWLD-QGZVFWFLSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1)C(C)C ZINC001295825196 1063833692 /nfs/dbraw/zinc/83/36/92/1063833692.db2.gz PXAQVXOPFRBLFZ-UHFFFAOYSA-N 1 1 468.400 2.654 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001295825341 1063834128 /nfs/dbraw/zinc/83/41/28/1063834128.db2.gz VOHKESOYSLPKIA-MRXNPFEDSA-N 1 1 464.412 2.577 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C ZINC001295827114 1063836088 /nfs/dbraw/zinc/83/60/88/1063836088.db2.gz LKKPJYMWCGPULE-LJQANCHMSA-N 1 1 474.675 2.957 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291345717 1063840793 /nfs/dbraw/zinc/84/07/93/1063840793.db2.gz CODDTNIAKYDGBG-BJKOFHAPSA-N 1 1 482.673 2.915 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C ZINC001295829398 1063841443 /nfs/dbraw/zinc/84/14/43/1063841443.db2.gz HWFBOPLJGRKXMR-LJQANCHMSA-N 1 1 479.025 2.679 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)C1CC1 ZINC001295830500 1063844820 /nfs/dbraw/zinc/84/48/20/1063844820.db2.gz OHHHQTBHQMOVRA-QGZVFWFLSA-N 1 1 496.081 2.586 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O)C1CC1 ZINC001295830776 1063845301 /nfs/dbraw/zinc/84/53/01/1063845301.db2.gz QSDWJTJQSKFSKI-QGZVFWFLSA-N 1 1 456.616 2.847 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)C(C)C ZINC001295831196 1063845962 /nfs/dbraw/zinc/84/59/62/1063845962.db2.gz VPZTTWOZCWWOGJ-DEOSSOPVSA-N 1 1 458.607 2.655 20 0 JFADMO C[N@@H+](CCCO)C1CCN(C(=O)C2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001295833180 1063847702 /nfs/dbraw/zinc/84/77/02/1063847702.db2.gz IDNHKNOHOHNWIY-UHFFFAOYSA-N 1 1 451.530 2.871 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291347669 1063850614 /nfs/dbraw/zinc/85/06/14/1063850614.db2.gz RGNLYRNAJXHGNW-FQEVSTJZSA-N 1 1 468.602 2.623 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC001295838636 1063857121 /nfs/dbraw/zinc/85/71/21/1063857121.db2.gz KVUQSOJXNJXLCA-QGZVFWFLSA-N 1 1 471.631 2.764 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838639 1063857192 /nfs/dbraw/zinc/85/71/92/1063857192.db2.gz KXAAZCVSXONHAN-RBUKOAKNSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001295841468 1063860474 /nfs/dbraw/zinc/86/04/74/1063860474.db2.gz GXGPMJPBGYQINQ-GOSISDBHSA-N 1 1 457.652 2.749 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)C(C)C ZINC001295844241 1063863407 /nfs/dbraw/zinc/86/34/07/1063863407.db2.gz AGOAOUDCLLWPMC-UHFFFAOYSA-N 1 1 479.633 2.812 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001295844511 1063863952 /nfs/dbraw/zinc/86/39/52/1063863952.db2.gz CFPHPJFAQSVQJJ-MOPGFXCFSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864654 /nfs/dbraw/zinc/86/46/54/1063864654.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 1 1 461.699 2.507 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864674 /nfs/dbraw/zinc/86/46/74/1063864674.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 1 1 461.699 2.507 20 0 JFADMO CCn1nc(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@@H+](CC)C(C)C)c2ccccc2c1=O ZINC001295844726 1063864783 /nfs/dbraw/zinc/86/47/83/1063864783.db2.gz DLZXPZKONHNSPQ-SFHVURJKSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001291357990 1063864951 /nfs/dbraw/zinc/86/49/51/1063864951.db2.gz AUSGUDAITYFVFJ-RLWLMLJZSA-N 1 1 484.645 2.857 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC001295846579 1063868896 /nfs/dbraw/zinc/86/88/96/1063868896.db2.gz XAQDTXMXSHGCNN-ZDUSSCGKSA-N 1 1 457.526 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCC2(COC(=O)N2)CC1)CCC(F)(F)F ZINC001295848684 1063871985 /nfs/dbraw/zinc/87/19/85/1063871985.db2.gz NFMFFVCNHJYKCR-INIZCTEOSA-N 1 1 474.528 2.873 20 0 JFADMO CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295849720 1063873027 /nfs/dbraw/zinc/87/30/27/1063873027.db2.gz TUPPAEPPSSBVPG-UHFFFAOYSA-N 1 1 499.626 2.954 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291361284 1063874243 /nfs/dbraw/zinc/87/42/43/1063874243.db2.gz JHPZDGOKGZXZPN-QUZZAMIASA-N 1 1 465.545 2.864 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC001295851637 1063876423 /nfs/dbraw/zinc/87/64/23/1063876423.db2.gz GCCOYDNAQAYKDB-FQEVSTJZSA-N 1 1 490.674 2.602 20 0 JFADMO CCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001295853142 1063878944 /nfs/dbraw/zinc/87/89/44/1063878944.db2.gz ODUKBXSJQUENSS-LEWJYISDSA-N 1 1 492.665 2.730 20 0 JFADMO CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001295853143 1063879037 /nfs/dbraw/zinc/87/90/37/1063879037.db2.gz ODUKBXSJQUENSS-NHCUHLMSSA-N 1 1 492.665 2.730 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)CCC(F)(F)F ZINC001295853409 1063880364 /nfs/dbraw/zinc/88/03/64/1063880364.db2.gz PWXVPFCUOJFYER-DLBZAZTESA-N 1 1 487.527 2.716 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1)C1CC1 ZINC001295854372 1063882700 /nfs/dbraw/zinc/88/27/00/1063882700.db2.gz IEZUIOQCCNUPDH-UHFFFAOYSA-N 1 1 474.675 2.780 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295855611 1063885788 /nfs/dbraw/zinc/88/57/88/1063885788.db2.gz SZQHEYFXVOSIJV-KRWDZBQOSA-N 1 1 482.526 2.997 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001295856474 1063886988 /nfs/dbraw/zinc/88/69/88/1063886988.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 1 1 493.697 2.847 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001295856474 1063887003 /nfs/dbraw/zinc/88/70/03/1063887003.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 1 1 493.697 2.847 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291366216 1063888906 /nfs/dbraw/zinc/88/89/06/1063888906.db2.gz WKHXBOZMQIMYOY-VWLOTQADSA-N 1 1 483.617 2.569 20 0 JFADMO CCN(CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295858608 1063888901 /nfs/dbraw/zinc/88/89/01/1063888901.db2.gz ACFRGWAAMBVOKX-JOCHJYFZSA-N 1 1 499.660 2.679 20 0 JFADMO CCN(CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295858609 1063889202 /nfs/dbraw/zinc/88/92/02/1063889202.db2.gz ACFRGWAAMBVOKX-QFIPXVFZSA-N 1 1 499.660 2.679 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C)CCC(F)(F)F ZINC001295858683 1063889629 /nfs/dbraw/zinc/88/96/29/1063889629.db2.gz BMNVVPBVYSJPNA-QGZVFWFLSA-N 1 1 467.540 2.595 20 0 JFADMO CCN(CCn1c(Cc2cccnc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859634 1063890165 /nfs/dbraw/zinc/89/01/65/1063890165.db2.gz RWUQRRDMLAIPOH-SANMLTNESA-N 1 1 499.660 2.822 20 0 JFADMO CCN(CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295860681 1063892459 /nfs/dbraw/zinc/89/24/59/1063892459.db2.gz JIJYCANGQSWZMG-QFIPXVFZSA-N 1 1 499.660 2.679 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)C(C)C ZINC001295862376 1063895081 /nfs/dbraw/zinc/89/50/81/1063895081.db2.gz NAIFVXMDQMYCGH-UHFFFAOYSA-N 1 1 454.685 2.601 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccco2)C1)CCC(F)(F)F ZINC001295865431 1063897816 /nfs/dbraw/zinc/89/78/16/1063897816.db2.gz CPNXYZTVTDJXIP-SFHVURJKSA-N 1 1 484.523 2.846 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)C1CC1 ZINC001295866018 1063898963 /nfs/dbraw/zinc/89/89/63/1063898963.db2.gz IXHUTVZUDQCQAX-RUZDIDTESA-N 1 1 454.619 2.921 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295865931 1063898998 /nfs/dbraw/zinc/89/89/98/1063898998.db2.gz HAIVNWMVWDGYEE-UHFFFAOYSA-N 1 1 496.635 2.972 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C ZINC001295866598 1063901321 /nfs/dbraw/zinc/90/13/21/1063901321.db2.gz ZWZQHNXJVXCQOW-UHFFFAOYSA-N 1 1 499.081 2.713 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C1CC1 ZINC001295866493 1063901640 /nfs/dbraw/zinc/90/16/40/1063901640.db2.gz YAZOVUNQZDLILR-MRXNPFEDSA-N 1 1 491.434 2.771 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1)C(C)C ZINC001295867612 1063902742 /nfs/dbraw/zinc/90/27/42/1063902742.db2.gz WMINCSWWBUUXHB-UHFFFAOYSA-N 1 1 456.639 2.552 20 0 JFADMO CC[N@H+](CCn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295867884 1063903199 /nfs/dbraw/zinc/90/31/99/1063903199.db2.gz CFDUFMFVWGJKFO-UHFFFAOYSA-N 1 1 477.528 2.839 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295867884 1063903213 /nfs/dbraw/zinc/90/32/13/1063903213.db2.gz CFDUFMFVWGJKFO-UHFFFAOYSA-N 1 1 477.528 2.839 20 0 JFADMO CC[C@](C)(O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291375652 1063905841 /nfs/dbraw/zinc/90/58/41/1063905841.db2.gz HFEFIIMLOMHQNE-SANMLTNESA-N 1 1 481.645 2.679 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001295869051 1063906373 /nfs/dbraw/zinc/90/63/73/1063906373.db2.gz HFAXEIHYYRSEKW-HSALFYBXSA-N 1 1 489.665 2.590 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O)C(C)C ZINC001295868982 1063906479 /nfs/dbraw/zinc/90/64/79/1063906479.db2.gz FMWQRQCADGUTNZ-GUDVDZBRSA-N 1 1 457.685 2.796 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001295873306 1063910450 /nfs/dbraw/zinc/91/04/50/1063910450.db2.gz KOKQZQFPROYWOJ-GOSISDBHSA-N 1 1 490.674 2.750 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001295873306 1063910464 /nfs/dbraw/zinc/91/04/64/1063910464.db2.gz KOKQZQFPROYWOJ-GOSISDBHSA-N 1 1 490.674 2.750 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(C(C)(C)C)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001295874745 1063911837 /nfs/dbraw/zinc/91/18/37/1063911837.db2.gz RCJGKMZPAHWCHI-UHFFFAOYSA-N 1 1 457.710 2.808 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291378890 1063913032 /nfs/dbraw/zinc/91/30/32/1063913032.db2.gz OPRNELLTFTURPD-OFVILXPXSA-N 1 1 457.619 2.793 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001295876790 1063916543 /nfs/dbraw/zinc/91/65/43/1063916543.db2.gz DAAVJFSOFNNCQO-UHFFFAOYSA-N 1 1 484.670 2.991 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001295876790 1063916554 /nfs/dbraw/zinc/91/65/54/1063916554.db2.gz DAAVJFSOFNNCQO-UHFFFAOYSA-N 1 1 484.670 2.991 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001295877105 1063917281 /nfs/dbraw/zinc/91/72/81/1063917281.db2.gz FIGYVTMFUCGOMG-NRFANRHFSA-N 1 1 458.632 2.766 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001295878831 1063920930 /nfs/dbraw/zinc/92/09/30/1063920930.db2.gz SELBZKWLOMMYCW-IBGZPJMESA-N 1 1 491.658 2.708 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291386889 1063933745 /nfs/dbraw/zinc/93/37/45/1063933745.db2.gz DJHIBLSOCGFEGD-CLOONOSVSA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291386889 1063933758 /nfs/dbraw/zinc/93/37/58/1063933758.db2.gz DJHIBLSOCGFEGD-CLOONOSVSA-N 1 1 472.634 2.778 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295887275 1063935330 /nfs/dbraw/zinc/93/53/30/1063935330.db2.gz USHIJBUQIIATPH-NQIIRXRSSA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCC[N@H+]1CC ZINC001295887275 1063935344 /nfs/dbraw/zinc/93/53/44/1063935344.db2.gz USHIJBUQIIATPH-NQIIRXRSSA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001295888500 1063938358 /nfs/dbraw/zinc/93/83/58/1063938358.db2.gz PNSXBIAPZKYWSH-IBGZPJMESA-N 1 1 472.615 2.811 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291390860 1063941170 /nfs/dbraw/zinc/94/11/70/1063941170.db2.gz CXBJTWAVPSYMOP-SIBVEZHUSA-N 1 1 497.644 2.815 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291390859 1063941236 /nfs/dbraw/zinc/94/12/36/1063941236.db2.gz CXBJTWAVPSYMOP-NIYFSFCBSA-N 1 1 497.644 2.815 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001291393566 1063946308 /nfs/dbraw/zinc/94/63/08/1063946308.db2.gz MFITUMCDSZWAFC-UQBPGWFLSA-N 1 1 465.602 2.863 20 0 JFADMO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC001295900825 1063953727 /nfs/dbraw/zinc/95/37/27/1063953727.db2.gz BQMKZOZVKRUIHL-UHFFFAOYSA-N 1 1 464.618 2.718 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291397895 1063955320 /nfs/dbraw/zinc/95/53/20/1063955320.db2.gz QVZOINYSEOATMI-FGJSELGCSA-N 1 1 489.686 2.688 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291397895 1063955331 /nfs/dbraw/zinc/95/53/31/1063955331.db2.gz QVZOINYSEOATMI-FGJSELGCSA-N 1 1 489.686 2.688 20 0 JFADMO CCn1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)cn1 ZINC001295913634 1063965451 /nfs/dbraw/zinc/96/54/51/1063965451.db2.gz WNTZANBCSDAMOZ-UHFFFAOYSA-N 1 1 455.582 2.972 20 0 JFADMO CCn1cc(CN(C)c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)cn1 ZINC001295913634 1063965466 /nfs/dbraw/zinc/96/54/66/1063965466.db2.gz WNTZANBCSDAMOZ-UHFFFAOYSA-N 1 1 455.582 2.972 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291403110 1063967270 /nfs/dbraw/zinc/96/72/70/1063967270.db2.gz GTBGQAJBUHNNAN-DHTSOJEISA-N 1 1 473.666 2.626 20 0 JFADMO CCn1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC001295924265 1063978242 /nfs/dbraw/zinc/97/82/42/1063978242.db2.gz HDTORQZMLRLQKZ-QGZVFWFLSA-N 1 1 475.544 2.968 20 0 JFADMO CCn1cc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cn1 ZINC001295928053 1063982437 /nfs/dbraw/zinc/98/24/37/1063982437.db2.gz NJBANNMIKRUHHG-UHFFFAOYSA-N 1 1 453.639 2.804 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001291411026 1063986676 /nfs/dbraw/zinc/98/66/76/1063986676.db2.gz FMHDMBZLLCPSJM-WWPVKYPJSA-N 1 1 484.645 2.758 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001291411744 1063987296 /nfs/dbraw/zinc/98/72/96/1063987296.db2.gz OISVCRNWPRMFAC-OZIGNCPNSA-N 1 1 467.622 2.901 20 0 JFADMO CCn1cccc(Cn2c(Cc3ccccc3C)nnc2N2CC[NH+](CCOC(C)C)CC2)c1=O ZINC001295949148 1063998775 /nfs/dbraw/zinc/99/87/75/1063998775.db2.gz GDWHRBWJRZALBQ-UHFFFAOYSA-N 1 1 478.641 2.954 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975454 1064019116 /nfs/dbraw/zinc/01/91/16/1064019116.db2.gz CAVPGPCRXUKQQO-IAGOWNOFSA-N 1 1 495.550 2.817 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001295975442 1064019312 /nfs/dbraw/zinc/01/93/12/1064019312.db2.gz DECLCTJGRNCCOW-SVFBPWRDSA-N 1 1 488.658 2.807 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295975495 1064019865 /nfs/dbraw/zinc/01/98/65/1064019865.db2.gz DMXUNIVWVRJUBC-FGSXEWAUSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295975495 1064019870 /nfs/dbraw/zinc/01/98/70/1064019870.db2.gz DMXUNIVWVRJUBC-FGSXEWAUSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001295975829 1064020724 /nfs/dbraw/zinc/02/07/24/1064020724.db2.gz FJSJUQILEXAQFO-HUUCEWRRSA-N 1 1 453.513 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975930 1064020830 /nfs/dbraw/zinc/02/08/30/1064020830.db2.gz HAGSAHQVJDQHNK-KXNSMUHISA-N 1 1 462.545 2.944 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001295975831 1064020847 /nfs/dbraw/zinc/02/08/47/1064020847.db2.gz FJSJUQILEXAQFO-LSDHHAIUSA-N 1 1 453.513 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001295976047 1064021162 /nfs/dbraw/zinc/02/11/62/1064021162.db2.gz CBNBSDBYYTYIAW-BERHBOFZSA-N 1 1 498.672 2.944 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295976149 1064021660 /nfs/dbraw/zinc/02/16/60/1064021660.db2.gz IKHXLEBZVYLWKG-ZOBUZTSGSA-N 1 1 499.479 2.922 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295976149 1064021661 /nfs/dbraw/zinc/02/16/61/1064021661.db2.gz IKHXLEBZVYLWKG-ZOBUZTSGSA-N 1 1 499.479 2.922 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295976147 1064021693 /nfs/dbraw/zinc/02/16/93/1064021693.db2.gz IKHXLEBZVYLWKG-VYDXJSESSA-N 1 1 499.479 2.922 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295976147 1064021699 /nfs/dbraw/zinc/02/16/99/1064021699.db2.gz IKHXLEBZVYLWKG-VYDXJSESSA-N 1 1 499.479 2.922 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001291457751 1064023969 /nfs/dbraw/zinc/02/39/69/1064023969.db2.gz SCIOCTWZSABYRU-AQNXPRMDSA-N 1 1 452.607 2.966 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001291457751 1064023974 /nfs/dbraw/zinc/02/39/74/1064023974.db2.gz SCIOCTWZSABYRU-AQNXPRMDSA-N 1 1 452.607 2.966 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024345 /nfs/dbraw/zinc/02/43/45/1064024345.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 1 1 456.635 2.983 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@H]1C ZINC001295978826 1064027093 /nfs/dbraw/zinc/02/70/93/1064027093.db2.gz TVPRRBAXDFDIOY-MSOLQXFVSA-N 1 1 460.648 2.914 20 0 JFADMO CC[C@@H](C)c1nnc(N(CCO)Cc2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291467598 1064028600 /nfs/dbraw/zinc/02/86/00/1064028600.db2.gz ZSUIMTWOQRUGCK-YKSBVNFPSA-N 1 1 459.660 2.998 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001295980094 1064029026 /nfs/dbraw/zinc/02/90/26/1064029026.db2.gz QJLPJMLWTJKYNH-PMACEKPBSA-N 1 1 485.633 2.678 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001291470211 1064030554 /nfs/dbraw/zinc/03/05/54/1064030554.db2.gz NAAOWSPNMZTOPK-PXCRPINLSA-N 1 1 491.681 2.694 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470309 1064031017 /nfs/dbraw/zinc/03/10/17/1064031017.db2.gz OETYNTBNONFPBI-GREBRCKQSA-N 1 1 453.635 2.922 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1nccs1 ZINC001291470919 1064032453 /nfs/dbraw/zinc/03/24/53/1064032453.db2.gz XDONRGYMLPMNEU-BJLQDIEVSA-N 1 1 459.664 2.870 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032537 /nfs/dbraw/zinc/03/25/37/1064032537.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 1 1 459.683 2.945 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032545 /nfs/dbraw/zinc/03/25/45/1064032545.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 1 1 459.683 2.945 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981818 1064033182 /nfs/dbraw/zinc/03/31/82/1064033182.db2.gz SAWTXMSGNFUEBT-UFYCRDLUSA-N 1 1 478.663 2.503 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291473289 1064033889 /nfs/dbraw/zinc/03/38/89/1064033889.db2.gz CBHBLVXIQWEFEW-FUDKSRODSA-N 1 1 471.650 2.639 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC001295982539 1064035761 /nfs/dbraw/zinc/03/57/61/1064035761.db2.gz URHFAKFQXFHAJW-BZSNNMDCSA-N 1 1 487.630 2.511 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479157 1064036080 /nfs/dbraw/zinc/03/60/80/1064036080.db2.gz FDWOLBLROCXRHU-LZLYRXPVSA-N 1 1 466.677 2.813 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1C ZINC001295983214 1064038430 /nfs/dbraw/zinc/03/84/30/1064038430.db2.gz ZKCQJYMJTCOSAX-DXIQSLLYSA-N 1 1 497.644 2.501 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001295983534 1064039479 /nfs/dbraw/zinc/03/94/79/1064039479.db2.gz WTQIUMDBCUNFGW-QLFBSQMISA-N 1 1 475.084 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295984554 1064042304 /nfs/dbraw/zinc/04/23/04/1064042304.db2.gz ZUNHNORDWFWMRD-IXDOHACOSA-N 1 1 485.054 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001295984523 1064042324 /nfs/dbraw/zinc/04/23/24/1064042324.db2.gz ZEIFHNMETIPCJR-QQMNAOGKSA-N 1 1 477.679 2.627 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001291490429 1064044857 /nfs/dbraw/zinc/04/48/57/1064044857.db2.gz TXJQMSDPIHBZLK-CNNODRBYSA-N 1 1 488.599 2.746 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001295990131 1064044899 /nfs/dbraw/zinc/04/48/99/1064044899.db2.gz FCQRYGDNFGQRPE-KZNAEPCWSA-N 1 1 481.066 2.941 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492171 1064045295 /nfs/dbraw/zinc/04/52/95/1064045295.db2.gz SEMCMBLPFVIBQI-LEWJYISDSA-N 1 1 454.619 2.751 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492172 1064045338 /nfs/dbraw/zinc/04/53/38/1064045338.db2.gz SEMCMBLPFVIBQI-NHCUHLMSSA-N 1 1 454.619 2.751 20 0 JFADMO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295992043 1064046744 /nfs/dbraw/zinc/04/67/44/1064046744.db2.gz GEQZXNIUCPMJDO-HBMCJLEFSA-N 1 1 454.656 2.712 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001295992676 1064047354 /nfs/dbraw/zinc/04/73/54/1064047354.db2.gz FCLZWIRBNWNIKD-MSOLQXFVSA-N 1 1 466.565 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001295992737 1064047385 /nfs/dbraw/zinc/04/73/85/1064047385.db2.gz FNIKRIOPJRCEKO-QZTJIDSGSA-N 1 1 483.617 2.866 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@H]1C ZINC001295993021 1064047927 /nfs/dbraw/zinc/04/79/27/1064047927.db2.gz BUEINEOCDPOXNW-FYQPLNBISA-N 1 1 478.638 2.542 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993523 1064048859 /nfs/dbraw/zinc/04/88/59/1064048859.db2.gz IJRYMAOWPSTXNQ-IAGOWNOFSA-N 1 1 456.595 2.949 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291497442 1064049979 /nfs/dbraw/zinc/04/99/79/1064049979.db2.gz XKAKFQNBDVABSI-LAUBAEHRSA-N 1 1 485.608 2.829 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291497443 1064050336 /nfs/dbraw/zinc/05/03/36/1064050336.db2.gz XKAKFQNBDVABSI-UTKZUKDTSA-N 1 1 485.608 2.829 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291501733 1064052105 /nfs/dbraw/zinc/05/21/05/1064052105.db2.gz VCLLCWHIEZSONY-IFMALSPDSA-N 1 1 470.666 2.847 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001291502235 1064052707 /nfs/dbraw/zinc/05/27/07/1064052707.db2.gz DBQRLEIQWCWOHF-QUCCMNQESA-N 1 1 472.609 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295998186 1064054661 /nfs/dbraw/zinc/05/46/61/1064054661.db2.gz TWFFRMBVFIKFLU-QZTJIDSGSA-N 1 1 460.627 2.902 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998695 1064056228 /nfs/dbraw/zinc/05/62/28/1064056228.db2.gz VAVOSVWGKNTLBQ-ROUUACIJSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999511 1064056655 /nfs/dbraw/zinc/05/66/55/1064056655.db2.gz BGLMNKSCNVETIZ-ROUUACIJSA-N 1 1 451.550 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001469 1064057455 /nfs/dbraw/zinc/05/74/55/1064057455.db2.gz IAFUIZRYGXCVGQ-VXKWHMMOSA-N 1 1 467.662 2.744 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001291507708 1064058340 /nfs/dbraw/zinc/05/83/40/1064058340.db2.gz YVVPQTIMWWPZLN-QZTJIDSGSA-N 1 1 452.669 2.526 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004257 1064059700 /nfs/dbraw/zinc/05/97/00/1064059700.db2.gz YDBZHHZIZFHPHK-RTWAWAEBSA-N 1 1 461.614 2.921 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004344 1064059725 /nfs/dbraw/zinc/05/97/25/1064059725.db2.gz YVIKHAXLVWCHPG-IAGOWNOFSA-N 1 1 473.423 2.842 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004346 1064059850 /nfs/dbraw/zinc/05/98/50/1064059850.db2.gz YVIKHAXLVWCHPG-IRXDYDNUSA-N 1 1 473.423 2.842 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291508430 1064059984 /nfs/dbraw/zinc/05/99/84/1064059984.db2.gz MCNBHQLMOUNRRH-NHCUHLMSSA-N 1 1 459.683 2.656 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291510344 1064061892 /nfs/dbraw/zinc/06/18/92/1064061892.db2.gz UAGMQCOSPYCJOP-UXHICEINSA-N 1 1 461.655 2.677 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC001296008382 1064062319 /nfs/dbraw/zinc/06/23/19/1064062319.db2.gz HJYKTHIEDGKPIM-MOPGFXCFSA-N 1 1 474.675 2.886 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008789 1064062354 /nfs/dbraw/zinc/06/23/54/1064062354.db2.gz BJQUSAMNUZENOB-QHAWAJNXSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008789 1064062362 /nfs/dbraw/zinc/06/23/62/1064062362.db2.gz BJQUSAMNUZENOB-QHAWAJNXSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296009602 1064065455 /nfs/dbraw/zinc/06/54/55/1064065455.db2.gz HDSIVMFPBWTKHX-VQTJNVASSA-N 1 1 475.659 2.909 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009913 1064066905 /nfs/dbraw/zinc/06/69/05/1064066905.db2.gz JEKZYPCQEDWJEN-NHCUHLMSSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296009924 1064067354 /nfs/dbraw/zinc/06/73/54/1064067354.db2.gz NVBDUFSHGDYFGY-DXIQSLLYSA-N 1 1 475.707 2.910 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291514643 1064067982 /nfs/dbraw/zinc/06/79/82/1064067982.db2.gz WSKHFEGCKFUUOJ-PZJWPPBQSA-N 1 1 483.665 2.605 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001296010372 1064067967 /nfs/dbraw/zinc/06/79/67/1064067967.db2.gz PUHVGICAJYMMSB-MOPGFXCFSA-N 1 1 454.619 2.517 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296010829 1064069566 /nfs/dbraw/zinc/06/95/66/1064069566.db2.gz MJNHCLWDAFNKMR-OALUTQOASA-N 1 1 468.577 2.971 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296011206 1064070149 /nfs/dbraw/zinc/07/01/49/1064070149.db2.gz UIVMAMFYJYYXCW-HOTGVXAUSA-N 1 1 459.545 2.650 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001296011879 1064072029 /nfs/dbraw/zinc/07/20/29/1064072029.db2.gz XGRMLDOKCAIRNO-FMGHJNRGSA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001296011879 1064072035 /nfs/dbraw/zinc/07/20/35/1064072035.db2.gz XGRMLDOKCAIRNO-FMGHJNRGSA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013584 1064074570 /nfs/dbraw/zinc/07/45/70/1064074570.db2.gz OEBRMOIGSFVZGX-KOORYGTMSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013584 1064074580 /nfs/dbraw/zinc/07/45/80/1064074580.db2.gz OEBRMOIGSFVZGX-KOORYGTMSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@@H]1C ZINC001296014568 1064076268 /nfs/dbraw/zinc/07/62/68/1064076268.db2.gz YJZIIUGMRBWYJD-PMACEKPBSA-N 1 1 470.618 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001296017269 1064078704 /nfs/dbraw/zinc/07/87/04/1064078704.db2.gz XKYXMVAENAHETL-MOPGFXCFSA-N 1 1 482.658 2.951 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001291539036 1064080332 /nfs/dbraw/zinc/08/03/32/1064080332.db2.gz YZGCSIIWHQTARS-ZWKOTPCHSA-N 1 1 480.704 2.677 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291542348 1064085309 /nfs/dbraw/zinc/08/53/09/1064085309.db2.gz PWOXPZMTSWRBPY-NNMXDRDESA-N 1 1 457.671 2.867 20 0 JFADMO CC[NH+]1CCC(CCn2c(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031311 1064089484 /nfs/dbraw/zinc/08/94/84/1064089484.db2.gz UIPWOFLFSMUTAW-DEOSSOPVSA-N 1 1 489.753 2.929 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001296031635 1064089722 /nfs/dbraw/zinc/08/97/22/1064089722.db2.gz YPBCINUPBRWXGK-IBGZPJMESA-N 1 1 489.665 2.692 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(Cc3cccc(C)c3)CC2)C1 ZINC001296032993 1064090616 /nfs/dbraw/zinc/09/06/16/1064090616.db2.gz HITDKAWFAQOHOF-JOCHJYFZSA-N 1 1 468.646 2.641 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033073 1064090951 /nfs/dbraw/zinc/09/09/51/1064090951.db2.gz JBSVFMMPUJHFDC-AABGKKOBSA-N 1 1 480.654 2.790 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296033004 1064091107 /nfs/dbraw/zinc/09/11/07/1064091107.db2.gz HPGARKIGKSCBTD-HXUWFJFHSA-N 1 1 469.634 2.697 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296033534 1064091801 /nfs/dbraw/zinc/09/18/01/1064091801.db2.gz MDLYOGQQUUBHRJ-MRXNPFEDSA-N 1 1 498.538 2.620 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291560270 1064092255 /nfs/dbraw/zinc/09/22/55/1064092255.db2.gz QVNORTLBRZZSIJ-FGZHOGPDSA-N 1 1 461.699 2.760 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001296033940 1064092381 /nfs/dbraw/zinc/09/23/81/1064092381.db2.gz PJGQGUBMJHLRGQ-MRXNPFEDSA-N 1 1 454.966 2.952 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001296034083 1064092766 /nfs/dbraw/zinc/09/27/66/1064092766.db2.gz QCSJIOFIZWHNRE-LJQANCHMSA-N 1 1 479.585 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001296036469 1064096149 /nfs/dbraw/zinc/09/61/49/1064096149.db2.gz KKILAFNIVOTFJN-UXHICEINSA-N 1 1 484.645 2.997 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296036847 1064096798 /nfs/dbraw/zinc/09/67/98/1064096798.db2.gz MWXLZJDNYQOIGC-PMACEKPBSA-N 1 1 470.618 2.657 20 0 JFADMO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291570080 1064096875 /nfs/dbraw/zinc/09/68/75/1064096875.db2.gz ULWACYYDCIDKJY-VQTJNVASSA-N 1 1 459.614 2.889 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)N1CCCCC1 ZINC001291572165 1064098293 /nfs/dbraw/zinc/09/82/93/1064098293.db2.gz ZCBSUVUDWMHKKZ-FQEVSTJZSA-N 1 1 456.639 2.640 20 0 JFADMO CCN(c1nnc(-c2ccccc2Cl)n1C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296039261 1064099098 /nfs/dbraw/zinc/09/90/98/1064099098.db2.gz SALJFYGBLBJGQP-DLBZAZTESA-N 1 1 452.024 2.954 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291577444 1064101298 /nfs/dbraw/zinc/10/12/98/1064101298.db2.gz HDCOFEINGXRESI-BHIFYINESA-N 1 1 489.709 2.723 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001296042844 1064102359 /nfs/dbraw/zinc/10/23/59/1064102359.db2.gz PBMKCONCVWOJNL-ZWKOTPCHSA-N 1 1 451.575 2.760 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296043675 1064102631 /nfs/dbraw/zinc/10/26/31/1064102631.db2.gz WZQCVPIRCVZZMZ-FQEVSTJZSA-N 1 1 464.618 2.681 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043874 1064103255 /nfs/dbraw/zinc/10/32/55/1064103255.db2.gz AXYZRVYUQMMBDV-UFYCRDLUSA-N 1 1 462.639 2.960 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001296043792 1064103284 /nfs/dbraw/zinc/10/32/84/1064103284.db2.gz ADLXQRZDJPOONY-FUHWJXTLSA-N 1 1 452.024 2.812 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(COC)CC2)C1 ZINC001296044725 1064104516 /nfs/dbraw/zinc/10/45/16/1064104516.db2.gz FUNVBHUGESRMBX-LEWJYISDSA-N 1 1 492.665 2.791 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001296044709 1064104542 /nfs/dbraw/zinc/10/45/42/1064104542.db2.gz FRLBMEDNHNRROJ-ZCNNSNEGSA-N 1 1 490.649 2.734 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001296046438 1064106205 /nfs/dbraw/zinc/10/62/05/1064106205.db2.gz OOEVWWAQMVCGAD-QZTJIDSGSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001296048947 1064108804 /nfs/dbraw/zinc/10/88/04/1064108804.db2.gz ZLIGOAZQUGNLSJ-PMACEKPBSA-N 1 1 461.632 2.554 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001296049562 1064109542 /nfs/dbraw/zinc/10/95/42/1064109542.db2.gz JTNUHIDQCJWSEW-CTNGQTDRSA-N 1 1 453.635 2.737 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296050292 1064110067 /nfs/dbraw/zinc/11/00/67/1064110067.db2.gz PQOSRVRVLHUYBL-UNMCSNQZSA-N 1 1 475.659 2.645 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291581579 1064111568 /nfs/dbraw/zinc/11/15/68/1064111568.db2.gz QTFLWNOXVOXHDX-GMAHTHKFSA-N 1 1 468.646 2.991 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296051835 1064112425 /nfs/dbraw/zinc/11/24/25/1064112425.db2.gz KKJSWRTXDFJYPM-RXVVDRJESA-N 1 1 479.622 2.742 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296051889 1064112543 /nfs/dbraw/zinc/11/25/43/1064112543.db2.gz KTQABPSETSWQDE-FQEVSTJZSA-N 1 1 456.591 2.704 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291582040 1064112801 /nfs/dbraw/zinc/11/28/01/1064112801.db2.gz SHESQSPHUDEUGI-IFMALSPDSA-N 1 1 460.667 2.867 20 0 JFADMO CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296052120 1064113041 /nfs/dbraw/zinc/11/30/41/1064113041.db2.gz OILLIBQDGCSGTC-LEWJYISDSA-N 1 1 475.659 2.829 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291582574 1064114049 /nfs/dbraw/zinc/11/40/49/1064114049.db2.gz XXCZFPKGLLENNE-RTWAWAEBSA-N 1 1 484.645 2.961 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296053488 1064114955 /nfs/dbraw/zinc/11/49/55/1064114955.db2.gz ZUECPBMHSOEUJS-OAQYLSRUSA-N 1 1 454.619 2.874 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291583098 1064115803 /nfs/dbraw/zinc/11/58/03/1064115803.db2.gz PTDWIPJBTQOHMD-OAQYLSRUSA-N 1 1 468.646 2.794 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291583098 1064115811 /nfs/dbraw/zinc/11/58/11/1064115811.db2.gz PTDWIPJBTQOHMD-OAQYLSRUSA-N 1 1 468.646 2.794 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(F)(F)F)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296054819 1064116436 /nfs/dbraw/zinc/11/64/36/1064116436.db2.gz DAYZEDXNBJUNSU-CNNODRBYSA-N 1 1 488.599 2.733 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296056344 1064117614 /nfs/dbraw/zinc/11/76/14/1064117614.db2.gz KXSDQPBIWCDWEL-WAUFSOIDSA-N 1 1 481.626 2.784 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001296056755 1064118124 /nfs/dbraw/zinc/11/81/24/1064118124.db2.gz NSTUKLZUFZPMNN-GIVPXCGWSA-N 1 1 457.623 2.894 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001296056745 1064118154 /nfs/dbraw/zinc/11/81/54/1064118154.db2.gz NQNAEAJISLJVPP-VJBVDEEZSA-N 1 1 475.659 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296057015 1064118167 /nfs/dbraw/zinc/11/81/67/1064118167.db2.gz QRQWAXNIDPIBCB-FNAHDJPLSA-N 1 1 460.667 2.891 20 0 JFADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC001291587881 1064119993 /nfs/dbraw/zinc/11/99/93/1064119993.db2.gz YCSDMSHUQHSPPQ-QGZVFWFLSA-N 1 1 458.584 2.936 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccc2F)CC1 ZINC001296058742 1064121041 /nfs/dbraw/zinc/12/10/41/1064121041.db2.gz CYVIFRWTJSJHLY-UXHICEINSA-N 1 1 460.598 2.952 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296058760 1064121052 /nfs/dbraw/zinc/12/10/52/1064121052.db2.gz DJOUZTQMJVYDAQ-IPMKNSEASA-N 1 1 466.627 2.590 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(N)=O)CC1 ZINC001296059303 1064121768 /nfs/dbraw/zinc/12/17/68/1064121768.db2.gz BZHGQFZCTZTNGH-AWEZNQCLSA-N 1 1 467.437 2.955 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291590366 1064123251 /nfs/dbraw/zinc/12/32/51/1064123251.db2.gz VKPRMZLTOSLWNZ-IFMALSPDSA-N 1 1 470.618 2.971 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001296059924 1064123318 /nfs/dbraw/zinc/12/33/18/1064123318.db2.gz KYEAFVHQJOLJHC-UYAOXDASSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001296059921 1064123458 /nfs/dbraw/zinc/12/34/58/1064123458.db2.gz KYEAFVHQJOLJHC-AZUAARDMSA-N 1 1 461.632 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291590981 1064125513 /nfs/dbraw/zinc/12/55/13/1064125513.db2.gz WFHAINFOIXAMKS-FGZHOGPDSA-N 1 1 475.682 2.734 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001296061346 1064126639 /nfs/dbraw/zinc/12/66/39/1064126639.db2.gz KMWLGOCBVUILSA-KRWDZBQOSA-N 1 1 465.524 2.719 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001296062439 1064127710 /nfs/dbraw/zinc/12/77/10/1064127710.db2.gz PEZDJTUPFGLANE-IBGZPJMESA-N 1 1 470.622 2.961 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 ZINC001296062637 1064128148 /nfs/dbraw/zinc/12/81/48/1064128148.db2.gz TYAFTVKRJFILLH-PZJWPPBQSA-N 1 1 460.598 2.810 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)NC)CC1 ZINC001296062575 1064128246 /nfs/dbraw/zinc/12/82/46/1064128246.db2.gz RWJLFDBYGFWLER-INIZCTEOSA-N 1 1 494.413 2.792 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001291594032 1064129555 /nfs/dbraw/zinc/12/95/55/1064129555.db2.gz VTLMVBUGEUCPRB-CNNODRBYSA-N 1 1 453.635 2.623 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296064183 1064130784 /nfs/dbraw/zinc/13/07/84/1064130784.db2.gz ZTTBMOPLYCOWHH-UFYCRDLUSA-N 1 1 480.654 2.932 20 0 JFADMO CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065127 1064131215 /nfs/dbraw/zinc/13/12/15/1064131215.db2.gz JUBGLQGWGBWCBZ-SFHVURJKSA-N 1 1 451.539 2.756 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 ZINC001296066400 1064131711 /nfs/dbraw/zinc/13/17/11/1064131711.db2.gz CSTYEGJOFYADCH-VAMGGRTRSA-N 1 1 478.638 2.544 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291598297 1064133421 /nfs/dbraw/zinc/13/34/21/1064133421.db2.gz AIUWIEHRGXPRHK-IRFCIJBXSA-N 1 1 474.654 2.723 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001296068622 1064134877 /nfs/dbraw/zinc/13/48/77/1064134877.db2.gz QIQBZHVPOUSPAP-VAMGGRTRSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001296068630 1064134882 /nfs/dbraw/zinc/13/48/82/1064134882.db2.gz QKQOGKYANORMMX-JBACZVJFSA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001296071492 1064136023 /nfs/dbraw/zinc/13/60/23/1064136023.db2.gz HQQFYGCJPGFQHK-LVCYWYKZSA-N 1 1 461.680 2.664 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001296072453 1064137048 /nfs/dbraw/zinc/13/70/48/1064137048.db2.gz CQJKGUGPGWYCCH-HXUWFJFHSA-N 1 1 491.036 2.726 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001296072836 1064137616 /nfs/dbraw/zinc/13/76/16/1064137616.db2.gz FTVODBVVCMXFGP-ZWKOTPCHSA-N 1 1 468.023 2.618 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001296073123 1064138044 /nfs/dbraw/zinc/13/80/44/1064138044.db2.gz BYMOZIJQPPPKTF-GOSISDBHSA-N 1 1 458.611 2.540 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296073651 1064139496 /nfs/dbraw/zinc/13/94/96/1064139496.db2.gz GGTDPGMWUJROHN-RTBURBONSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296074541 1064140464 /nfs/dbraw/zinc/14/04/64/1064140464.db2.gz LIQYYLJOEUSKCV-NLINSNCNSA-N 1 1 472.659 2.762 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001296074717 1064141480 /nfs/dbraw/zinc/14/14/80/1064141480.db2.gz MFMCMGDXFCDAOZ-QRVBRYPASA-N 1 1 498.694 2.704 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001296074765 1064141510 /nfs/dbraw/zinc/14/15/10/1064141510.db2.gz XPDBKKDGDNXLCG-FCHUYYIVSA-N 1 1 473.710 2.874 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296075686 1064143451 /nfs/dbraw/zinc/14/34/51/1064143451.db2.gz PZXZIORLLUACKW-KNKQGSTJSA-N 1 1 488.599 2.876 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296075982 1064143912 /nfs/dbraw/zinc/14/39/12/1064143912.db2.gz ZHIPXMBHBLLDEI-OAQYLSRUSA-N 1 1 490.674 2.558 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291609757 1064147421 /nfs/dbraw/zinc/14/74/21/1064147421.db2.gz VHCPEHCJAGKPCZ-INIZCTEOSA-N 1 1 470.544 2.653 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296080940 1064148170 /nfs/dbraw/zinc/14/81/70/1064148170.db2.gz OLGXZXZSSYWMNZ-RDJZCZTQSA-N 1 1 478.439 2.622 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296081004 1064148230 /nfs/dbraw/zinc/14/82/30/1064148230.db2.gz OXNXPZXDBSPREQ-MRXNPFEDSA-N 1 1 481.523 2.693 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296081454 1064149300 /nfs/dbraw/zinc/14/93/00/1064149300.db2.gz UJCQDKJPJBNQPA-VGSWGCGISA-N 1 1 492.466 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001296081486 1064149854 /nfs/dbraw/zinc/14/98/54/1064149854.db2.gz UYTKKIZVAWVULI-LJQANCHMSA-N 1 1 467.039 2.555 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001296082069 1064150312 /nfs/dbraw/zinc/15/03/12/1064150312.db2.gz ZZBLATWCVMRRKY-NRFANRHFSA-N 1 1 456.639 2.656 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296084668 1064151739 /nfs/dbraw/zinc/15/17/39/1064151739.db2.gz NSGSQDNQYQNOMY-NRFANRHFSA-N 1 1 469.634 2.502 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084836 1064152787 /nfs/dbraw/zinc/15/27/87/1064152787.db2.gz AFUQGLKRWFWCTG-VQTJNVASSA-N 1 1 491.658 2.578 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296085013 1064153231 /nfs/dbraw/zinc/15/32/31/1064153231.db2.gz PQXKNNABYQIQFA-SFHVURJKSA-N 1 1 461.632 2.842 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085211 1064153281 /nfs/dbraw/zinc/15/32/81/1064153281.db2.gz CYEFFLWUJYQEAY-OALUTQOASA-N 1 1 456.591 2.627 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001296085260 1064153974 /nfs/dbraw/zinc/15/39/74/1064153974.db2.gz RQUAQXUBINYLSZ-FCHUYYIVSA-N 1 1 475.659 2.850 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296086414 1064154353 /nfs/dbraw/zinc/15/43/53/1064154353.db2.gz ATMMBPVENQVCOX-LJQANCHMSA-N 1 1 491.036 2.777 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087631 1064156122 /nfs/dbraw/zinc/15/61/22/1064156122.db2.gz MPIXVSFLNBWLFX-HBMCJLEFSA-N 1 1 492.665 2.776 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296087714 1064156864 /nfs/dbraw/zinc/15/68/64/1064156864.db2.gz GTCXGHHPOLLLOK-HXUWFJFHSA-N 1 1 470.618 2.929 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088005 1064157224 /nfs/dbraw/zinc/15/72/24/1064157224.db2.gz QCHOZHDKFBNLKO-MOPGFXCFSA-N 1 1 475.638 2.597 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088008 1064157803 /nfs/dbraw/zinc/15/78/03/1064157803.db2.gz QCHOZHDKFBNLKO-RBUKOAKNSA-N 1 1 475.638 2.597 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001296088939 1064159468 /nfs/dbraw/zinc/15/94/68/1064159468.db2.gz WBUXXTDVXROZCN-XLIONFOSSA-N 1 1 467.586 2.969 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001296091004 1064162564 /nfs/dbraw/zinc/16/25/64/1064162564.db2.gz YREROYGNAOIGBU-SFHVURJKSA-N 1 1 461.408 2.908 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622322 1064162920 /nfs/dbraw/zinc/16/29/20/1064162920.db2.gz VKKRWRFPFRJACY-QZTJIDSGSA-N 1 1 455.607 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296091750 1064163058 /nfs/dbraw/zinc/16/30/58/1064163058.db2.gz BPZOVAXPZKOZKT-CTNGQTDRSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001296092078 1064164097 /nfs/dbraw/zinc/16/40/97/1064164097.db2.gz GBSWKMFHCAAIDK-IRLDBZIGSA-N 1 1 487.693 2.652 20 0 JFADMO CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296092607 1064164642 /nfs/dbraw/zinc/16/46/42/1064164642.db2.gz JCKAQWHTZFPKSN-LEWJYISDSA-N 1 1 475.659 2.787 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296094137 1064166678 /nfs/dbraw/zinc/16/66/78/1064166678.db2.gz UZKBVELKXWYZHD-OAQYLSRUSA-N 1 1 474.675 2.784 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001296095035 1064167611 /nfs/dbraw/zinc/16/76/11/1064167611.db2.gz GMPUVHCRCFBKKU-AQNXPRMDSA-N 1 1 489.665 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296096028 1064169328 /nfs/dbraw/zinc/16/93/28/1064169328.db2.gz KYXACOWEQIGYFY-YADARESESA-N 1 1 458.582 2.833 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097891 1064171265 /nfs/dbraw/zinc/17/12/65/1064171265.db2.gz TXVBKGHJGIZTIN-OALUTQOASA-N 1 1 474.610 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001296098373 1064171786 /nfs/dbraw/zinc/17/17/86/1064171786.db2.gz XLGSAGGESTXRDY-AQNXPRMDSA-N 1 1 489.665 2.891 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291628821 1064172065 /nfs/dbraw/zinc/17/20/65/1064172065.db2.gz PKJUMMOLPPGCEU-LUKWVAJMSA-N 1 1 473.710 2.902 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296098689 1064172097 /nfs/dbraw/zinc/17/20/97/1064172097.db2.gz ZPHYWGDQFTYAQI-GOSISDBHSA-N 1 1 469.556 2.908 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O ZINC001296098631 1064172170 /nfs/dbraw/zinc/17/21/70/1064172170.db2.gz YPVSUKANOZRFSN-HXUWFJFHSA-N 1 1 463.648 2.829 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O ZINC001296098631 1064172175 /nfs/dbraw/zinc/17/21/75/1064172175.db2.gz YPVSUKANOZRFSN-HXUWFJFHSA-N 1 1 463.648 2.829 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629209 1064173079 /nfs/dbraw/zinc/17/30/79/1064173079.db2.gz ILDQYOUTUVZNGR-ISKFKSNPSA-N 1 1 484.689 2.883 20 0 JFADMO CCN1CCCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1=O ZINC001296101995 1064177008 /nfs/dbraw/zinc/17/70/08/1064177008.db2.gz ACWUGJOMZHRFPY-SFHVURJKSA-N 1 1 486.617 2.514 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291631429 1064177809 /nfs/dbraw/zinc/17/78/09/1064177809.db2.gz VLXNLJLMOXPJPS-YADHBBJMSA-N 1 1 461.699 2.902 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1=CCCOC1 ZINC001291631756 1064179285 /nfs/dbraw/zinc/17/92/85/1064179285.db2.gz QRFPJIPPCALIBP-UNMCSNQZSA-N 1 1 455.603 2.700 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1CC(=O)NC(C)C ZINC001291631833 1064179297 /nfs/dbraw/zinc/17/92/97/1064179297.db2.gz ZTJYITHPFRJVOD-GOSISDBHSA-N 1 1 458.607 2.656 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001291632252 1064179708 /nfs/dbraw/zinc/17/97/08/1064179708.db2.gz LQWZPZVHGZWPGW-JTHBVZDNSA-N 1 1 467.662 2.572 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001291632250 1064179731 /nfs/dbraw/zinc/17/97/31/1064179731.db2.gz LQWZPZVHGZWPGW-GGAORHGYSA-N 1 1 467.662 2.572 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291632506 1064181564 /nfs/dbraw/zinc/18/15/64/1064181564.db2.gz UJXDNFBYQMMNQI-PXNSSMCTSA-N 1 1 476.613 2.684 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291632812 1064182216 /nfs/dbraw/zinc/18/22/16/1064182216.db2.gz WDZRLHRROYSTBK-NHCUHLMSSA-N 1 1 496.660 2.748 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291632814 1064182261 /nfs/dbraw/zinc/18/22/61/1064182261.db2.gz WDZRLHRROYSTBK-RTWAWAEBSA-N 1 1 496.660 2.748 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291632706 1064182280 /nfs/dbraw/zinc/18/22/80/1064182280.db2.gz OYBQFTKPVDXGPT-HSZRJFAPSA-N 1 1 481.689 2.914 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001291633184 1064182714 /nfs/dbraw/zinc/18/27/14/1064182714.db2.gz RELLRZAKOAMYAS-KAOXLYBCSA-N 1 1 473.710 2.950 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCc1cnn(C)n1 ZINC001291637655 1064184654 /nfs/dbraw/zinc/18/46/54/1064184654.db2.gz JDEKQUYYFLOVAO-LJQANCHMSA-N 1 1 452.607 2.884 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001291637705 1064184688 /nfs/dbraw/zinc/18/46/88/1064184688.db2.gz JNRSOPASEJRKAR-VQTJNVASSA-N 1 1 454.619 2.784 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001291638486 1064185688 /nfs/dbraw/zinc/18/56/88/1064185688.db2.gz IJKZDUZDUZSYLL-KNQAVFIVSA-N 1 1 475.659 2.686 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291639040 1064187021 /nfs/dbraw/zinc/18/70/21/1064187021.db2.gz OVGAZYWHTOASTP-PZJWPPBQSA-N 1 1 488.706 2.513 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640262 1064188526 /nfs/dbraw/zinc/18/85/26/1064188526.db2.gz QSCDNXQVLADJOF-FGZHOGPDSA-N 1 1 462.683 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001291640270 1064189554 /nfs/dbraw/zinc/18/95/54/1064189554.db2.gz QVFANMJFNDOIGH-MYDTUXCISA-N 1 1 462.683 2.838 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC001296110756 1064190056 /nfs/dbraw/zinc/19/00/56/1064190056.db2.gz RCLODCKZFIXCPQ-UHFFFAOYSA-N 1 1 481.689 2.510 20 0 JFADMO CCN1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)CC1=O ZINC001296111343 1064191252 /nfs/dbraw/zinc/19/12/52/1064191252.db2.gz XTPJTGVYUVAOKI-UHFFFAOYSA-N 1 1 450.591 2.863 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001291643326 1064194155 /nfs/dbraw/zinc/19/41/55/1064194155.db2.gz HEGGOLAJDHYPHG-ICSRJNTNSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001291643327 1064194193 /nfs/dbraw/zinc/19/41/93/1064194193.db2.gz HEGGOLAJDHYPHG-QUCCMNQESA-N 1 1 452.669 2.670 20 0 JFADMO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001296114531 1064195852 /nfs/dbraw/zinc/19/58/52/1064195852.db2.gz YQSFJCHPHKPDIE-UPVQGACJSA-N 1 1 453.558 2.624 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@H]3OCCC3(C)C)CC2)CC1 ZINC001296118475 1064200655 /nfs/dbraw/zinc/20/06/55/1064200655.db2.gz BVDPUIQNOIYWQM-NRFANRHFSA-N 1 1 460.667 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647841 1064202000 /nfs/dbraw/zinc/20/20/00/1064202000.db2.gz FPGFETYAPPQAAJ-RDJZCZTQSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647841 1064202010 /nfs/dbraw/zinc/20/20/10/1064202010.db2.gz FPGFETYAPPQAAJ-RDJZCZTQSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647842 1064202029 /nfs/dbraw/zinc/20/20/29/1064202029.db2.gz FPGFETYAPPQAAJ-WBVHZDCISA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647842 1064202038 /nfs/dbraw/zinc/20/20/38/1064202038.db2.gz FPGFETYAPPQAAJ-WBVHZDCISA-N 1 1 454.497 2.697 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H](C)Oc3ccc(OC)cc3)CC2)CC1 ZINC001296118861 1064202253 /nfs/dbraw/zinc/20/22/53/1064202253.db2.gz KZDOFSDCHNSOCH-HXUWFJFHSA-N 1 1 484.645 2.833 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648102 1064202398 /nfs/dbraw/zinc/20/23/98/1064202398.db2.gz GFXVPSFKLQBCHQ-DOTOQJQBSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648102 1064202409 /nfs/dbraw/zinc/20/24/09/1064202409.db2.gz GFXVPSFKLQBCHQ-DOTOQJQBSA-N 1 1 454.497 2.697 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3CCC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119053 1064203105 /nfs/dbraw/zinc/20/31/05/1064203105.db2.gz OAUMZQVANCNMJD-UHFFFAOYSA-N 1 1 498.720 2.785 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)CC)CC2)CC1 ZINC001296119096 1064203446 /nfs/dbraw/zinc/20/34/46/1064203446.db2.gz OOSCAQOODYIZRO-OAQYLSRUSA-N 1 1 460.667 2.989 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3C[C@@H]3CC=CCO3)CC2)CC1 ZINC001296119221 1064203914 /nfs/dbraw/zinc/20/39/14/1064203914.db2.gz PONPBYMCZKHNBH-QFIPXVFZSA-N 1 1 458.651 2.592 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cn4nc(C)cc4C)n3CC(C)C)CC2)CC1 ZINC001296119232 1064203976 /nfs/dbraw/zinc/20/39/76/1064203976.db2.gz PYPPTEFVOHLCMQ-UHFFFAOYSA-N 1 1 470.666 2.566 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccc4C)n3C[C@H](C)OC)CC2)CC1 ZINC001296119264 1064203996 /nfs/dbraw/zinc/20/39/96/1064203996.db2.gz QKMQLXKVNURKKX-QFIPXVFZSA-N 1 1 482.673 2.983 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4F)n3CCOC)CC2)CC1 ZINC001296119438 1064204723 /nfs/dbraw/zinc/20/47/23/1064204723.db2.gz UCRBFFHPRGDFCO-UHFFFAOYSA-N 1 1 458.582 2.501 20 0 JFADMO CC(C)c1ccc(OC2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)cc1 ZINC001291659852 1064208458 /nfs/dbraw/zinc/20/84/58/1064208458.db2.gz ISQSZYHTNUPQPQ-XMMPIXPASA-N 1 1 457.615 2.893 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291666204 1064210981 /nfs/dbraw/zinc/21/09/81/1064210981.db2.gz AXHBEIRGUMRQKM-OALUTQOASA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291666204 1064210994 /nfs/dbraw/zinc/21/09/94/1064210994.db2.gz AXHBEIRGUMRQKM-OALUTQOASA-N 1 1 480.654 2.632 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121058 1064211635 /nfs/dbraw/zinc/21/16/35/1064211635.db2.gz MQLTZCTZLLDUFV-SFHVURJKSA-N 1 1 474.053 2.716 20 0 JFADMO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)[NH+]1CCN(CC)CC1)C(C)C ZINC001296121348 1064212758 /nfs/dbraw/zinc/21/27/58/1064212758.db2.gz NYFXSPZHPSNMND-LJQANCHMSA-N 1 1 490.722 2.807 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121507 1064212811 /nfs/dbraw/zinc/21/28/11/1064212811.db2.gz PFBIWHKLAMHZKM-GOSISDBHSA-N 1 1 457.026 2.994 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001296122090 1064213712 /nfs/dbraw/zinc/21/37/12/1064213712.db2.gz SPGXVMQCTWSURG-IBGZPJMESA-N 1 1 471.650 2.600 20 0 JFADMO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291679977 1064216363 /nfs/dbraw/zinc/21/63/63/1064216363.db2.gz BXPSYUPHPTVQPW-PMACEKPBSA-N 1 1 478.707 2.837 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@H]2C)CC1 ZINC001296124376 1064217033 /nfs/dbraw/zinc/21/70/33/1064217033.db2.gz GXUIYTIBGPDURG-RTBURBONSA-N 1 1 474.675 2.930 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124419 1064217127 /nfs/dbraw/zinc/21/71/27/1064217127.db2.gz HDFASARDUXAAPG-GOSISDBHSA-N 1 1 492.068 2.594 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001296124879 1064217960 /nfs/dbraw/zinc/21/79/60/1064217960.db2.gz KFENFFLPIPZVHN-FSSWDIPSSA-N 1 1 456.635 2.520 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125174 1064218370 /nfs/dbraw/zinc/21/83/70/1064218370.db2.gz LDWIREGLSNHEEC-QZTJIDSGSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126023 1064219643 /nfs/dbraw/zinc/21/96/43/1064219643.db2.gz OQXWXVGXPSJGIJ-QZTJIDSGSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126100 1064220165 /nfs/dbraw/zinc/22/01/65/1064220165.db2.gz PNXUHKCWFSRVLL-HNNXBMFYSA-N 1 1 454.497 2.698 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296126925 1064221284 /nfs/dbraw/zinc/22/12/84/1064221284.db2.gz SUXACTXFDHIYRA-HXUWFJFHSA-N 1 1 486.661 2.851 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296128471 1064222781 /nfs/dbraw/zinc/22/27/81/1064222781.db2.gz ZGULERYFNBSDIJ-NRFANRHFSA-N 1 1 497.688 2.674 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129609 1064222829 /nfs/dbraw/zinc/22/28/29/1064222829.db2.gz AYJPWFCPULZGOJ-VXKWHMMOSA-N 1 1 456.635 2.632 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CC=CCC1 ZINC001291705707 1064223097 /nfs/dbraw/zinc/22/30/97/1064223097.db2.gz UZQAZDIICNLPQI-LJQANCHMSA-N 1 1 460.648 2.940 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001296131210 1064225067 /nfs/dbraw/zinc/22/50/67/1064225067.db2.gz IMKGYFRTGREJPJ-FGZHOGPDSA-N 1 1 492.672 2.955 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC=C(COC)CC2)CC1 ZINC001296131750 1064226471 /nfs/dbraw/zinc/22/64/71/1064226471.db2.gz MSMGVQAMZNXGPN-OAQYLSRUSA-N 1 1 468.646 2.686 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296131754 1064227062 /nfs/dbraw/zinc/22/70/62/1064227062.db2.gz MVRRXGZOIZGCRM-DFBJGRDBSA-N 1 1 488.080 2.511 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001296132004 1064227912 /nfs/dbraw/zinc/22/79/12/1064227912.db2.gz PVHHWNNGXVDBFT-FPOVZHCZSA-N 1 1 475.707 2.913 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296131970 1064227934 /nfs/dbraw/zinc/22/79/34/1064227934.db2.gz NILCJCOGCBNABR-FQEVSTJZSA-N 1 1 464.618 2.715 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001296132003 1064227954 /nfs/dbraw/zinc/22/79/54/1064227954.db2.gz PVHHWNNGXVDBFT-CTNGQTDRSA-N 1 1 475.707 2.913 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296132435 1064230188 /nfs/dbraw/zinc/23/01/88/1064230188.db2.gz UDDJICTYQNFPDO-RBBKRZOGSA-N 1 1 455.651 2.541 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296133361 1064233233 /nfs/dbraw/zinc/23/32/33/1064233233.db2.gz ZTFWBKNBDALAFA-HXUWFJFHSA-N 1 1 488.652 2.869 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296133386 1064233448 /nfs/dbraw/zinc/23/34/48/1064233448.db2.gz TXTJQLGFGWDREA-YFNKSVMNSA-N 1 1 470.662 2.676 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133624 1064234517 /nfs/dbraw/zinc/23/45/17/1064234517.db2.gz JXVJOJNIHMPFQH-OALUTQOASA-N 1 1 489.615 2.902 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133623 1064234539 /nfs/dbraw/zinc/23/45/39/1064234539.db2.gz JXVJOJNIHMPFQH-MOPGFXCFSA-N 1 1 489.615 2.902 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134302 1064235378 /nfs/dbraw/zinc/23/53/78/1064235378.db2.gz XYUCCZYGMOHPHP-YADHBBJMSA-N 1 1 455.651 2.662 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001291754366 1064236561 /nfs/dbraw/zinc/23/65/61/1064236561.db2.gz SJEUPTAMZGRXNF-SFTDATJTSA-N 1 1 487.693 2.719 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001291754936 1064237020 /nfs/dbraw/zinc/23/70/20/1064237020.db2.gz YMUZNKKBEVGSCZ-MOPGFXCFSA-N 1 1 474.679 2.584 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135135 1064238440 /nfs/dbraw/zinc/23/84/40/1064238440.db2.gz WMBLJYMYDCCQCH-WIYYLYMNSA-N 1 1 457.671 2.651 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001291758788 1064238474 /nfs/dbraw/zinc/23/84/74/1064238474.db2.gz AXKLSHWTJMVHKM-AWEZNQCLSA-N 1 1 467.387 2.903 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001291758699 1064238496 /nfs/dbraw/zinc/23/84/96/1064238496.db2.gz BQEZGEBFWXMYDN-PKOBYXMFSA-N 1 1 491.036 2.981 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296135518 1064240058 /nfs/dbraw/zinc/24/00/58/1064240058.db2.gz ZZJDFMWESQKURN-NRFANRHFSA-N 1 1 472.682 2.560 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291759726 1064240134 /nfs/dbraw/zinc/24/01/34/1064240134.db2.gz HTRLBKVGDNEUTP-IBGZPJMESA-N 1 1 482.633 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCOC)cc2)C[C@@H]1C ZINC001296135738 1064240202 /nfs/dbraw/zinc/24/02/02/1064240202.db2.gz AMRKPIMXYFQRQN-FQEVSTJZSA-N 1 1 470.618 2.508 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001291759911 1064240920 /nfs/dbraw/zinc/24/09/20/1064240920.db2.gz MNOIKDPYEPMSPU-ICSRJNTNSA-N 1 1 455.607 2.909 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001291759910 1064240939 /nfs/dbraw/zinc/24/09/39/1064240939.db2.gz MNOIKDPYEPMSPU-AZUAARDMSA-N 1 1 455.607 2.909 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761837 1064242751 /nfs/dbraw/zinc/24/27/51/1064242751.db2.gz VSAOXXODJIQUEZ-QZTJIDSGSA-N 1 1 461.586 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765331 1064245631 /nfs/dbraw/zinc/24/56/31/1064245631.db2.gz LAPLMFHGBUMHOD-VXKWHMMOSA-N 1 1 497.688 2.817 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCCCCCO)C[C@H]1C ZINC001296141248 1064246943 /nfs/dbraw/zinc/24/69/43/1064246943.db2.gz COMUMRZVEAZNQX-GOSISDBHSA-N 1 1 477.679 2.630 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296140996 1064247033 /nfs/dbraw/zinc/24/70/33/1064247033.db2.gz BCHROJLSJNTPLJ-OAHLLOKOSA-N 1 1 471.512 2.619 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291765721 1064247182 /nfs/dbraw/zinc/24/71/82/1064247182.db2.gz PPDAEYZOSXEJAL-INIZCTEOSA-N 1 1 455.994 2.985 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 ZINC001291765998 1064247320 /nfs/dbraw/zinc/24/73/20/1064247320.db2.gz SLHQSPCPJUNFNX-CQSZACIVSA-N 1 1 467.387 2.903 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 ZINC001291765997 1064247332 /nfs/dbraw/zinc/24/73/32/1064247332.db2.gz SLHQSPCPJUNFNX-AWEZNQCLSA-N 1 1 467.387 2.903 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291766203 1064247724 /nfs/dbraw/zinc/24/77/24/1064247724.db2.gz BHYCRPIQHIZAQP-IRXDYDNUSA-N 1 1 469.055 2.799 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249553 /nfs/dbraw/zinc/24/95/53/1064249553.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 1 1 470.662 2.979 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249560 /nfs/dbraw/zinc/24/95/60/1064249560.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 1 1 470.662 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291767949 1064250302 /nfs/dbraw/zinc/25/03/02/1064250302.db2.gz PJWNQHURDOIBOG-QFIPXVFZSA-N 1 1 497.688 2.819 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@@H]1C ZINC001296142732 1064251128 /nfs/dbraw/zinc/25/11/28/1064251128.db2.gz MSSOYWCCVZAHSB-SQJMNOBHSA-N 1 1 476.666 2.642 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC001296143414 1064252400 /nfs/dbraw/zinc/25/24/00/1064252400.db2.gz PZMXAPBEEVPJDN-RTBURBONSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001291771315 1064253478 /nfs/dbraw/zinc/25/34/78/1064253478.db2.gz IDWKJKCTSSYGTB-KRWDZBQOSA-N 1 1 453.591 2.989 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001296144546 1064253855 /nfs/dbraw/zinc/25/38/55/1064253855.db2.gz AERKMJPDFHBDIR-SBUREZEXSA-N 1 1 461.632 2.694 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771394 1064253871 /nfs/dbraw/zinc/25/38/71/1064253871.db2.gz DNSZFLABLHHVAD-UZLBHIALSA-N 1 1 461.561 2.564 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291771486 1064254373 /nfs/dbraw/zinc/25/43/73/1064254373.db2.gz GEUIDSPNDFWUFN-OKZBNKHCSA-N 1 1 463.652 2.582 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC(C)(OC)C1 ZINC001291771926 1064254687 /nfs/dbraw/zinc/25/46/87/1064254687.db2.gz KOVXRRULQSTIIX-QGZVFWFLSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1 ZINC001291772112 1064255046 /nfs/dbraw/zinc/25/50/46/1064255046.db2.gz MKWKPDKAWPNVTK-MRXNPFEDSA-N 1 1 467.574 2.714 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001291772017 1064255093 /nfs/dbraw/zinc/25/50/93/1064255093.db2.gz NHNYMVFKPFXJAF-RBUKOAKNSA-N 1 1 458.655 2.786 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291772331 1064255452 /nfs/dbraw/zinc/25/54/52/1064255452.db2.gz OEMJBXHCOXMSOJ-IPMKNSEASA-N 1 1 477.654 2.795 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(COC)CC1 ZINC001291772486 1064256399 /nfs/dbraw/zinc/25/63/99/1064256399.db2.gz PAMMOOBLWQQKBZ-SFHVURJKSA-N 1 1 477.679 2.831 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772955 1064256640 /nfs/dbraw/zinc/25/66/40/1064256640.db2.gz CUTHSZBVLGXCGH-INAZGPRKSA-N 1 1 480.723 2.611 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772956 1064256723 /nfs/dbraw/zinc/25/67/23/1064256723.db2.gz CUTHSZBVLGXCGH-PWAJEDTMSA-N 1 1 480.723 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001296146323 1064257394 /nfs/dbraw/zinc/25/73/94/1064257394.db2.gz NTEMSTPKHRGNSU-PXNSSMCTSA-N 1 1 467.549 2.983 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257747 /nfs/dbraw/zinc/25/77/47/1064257747.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257753 /nfs/dbraw/zinc/25/77/53/1064257753.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H]1C ZINC001296147212 1064257768 /nfs/dbraw/zinc/25/77/68/1064257768.db2.gz RPTVBWNNXMZDQO-FCGDIQPGSA-N 1 1 484.711 2.649 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCO1 ZINC001291773174 1064257803 /nfs/dbraw/zinc/25/78/03/1064257803.db2.gz SNWMYIAKWSULCU-ZWKOTPCHSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258027 /nfs/dbraw/zinc/25/80/27/1064258027.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258032 /nfs/dbraw/zinc/25/80/32/1064258032.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 1 1 474.675 2.611 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001291773582 1064258888 /nfs/dbraw/zinc/25/88/88/1064258888.db2.gz HZDGYHXERNWEFC-OOSNJVJTSA-N 1 1 479.647 2.779 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148280 1064259403 /nfs/dbraw/zinc/25/94/03/1064259403.db2.gz VNRZXYXTLIKGHR-PMACEKPBSA-N 1 1 454.623 2.578 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C[C@@H]1C ZINC001296148463 1064259776 /nfs/dbraw/zinc/25/97/76/1064259776.db2.gz WIUXFZGAVGUFEV-GAJHUEQPSA-N 1 1 461.010 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773681 1064259828 /nfs/dbraw/zinc/25/98/28/1064259828.db2.gz IWTNOXQWJPJKIC-PMACEKPBSA-N 1 1 472.638 2.684 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291773680 1064259852 /nfs/dbraw/zinc/25/98/52/1064259852.db2.gz VLWZQSKBPBOHOU-QZTJIDSGSA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001291773725 1064260298 /nfs/dbraw/zinc/26/02/98/1064260298.db2.gz VQXOPHXMDDNJNW-QYBDOPJKSA-N 1 1 494.644 2.668 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291773780 1064260334 /nfs/dbraw/zinc/26/03/34/1064260334.db2.gz JSWRATVPAPKENV-ICSRJNTNSA-N 1 1 458.582 2.614 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291773812 1064260882 /nfs/dbraw/zinc/26/08/82/1064260882.db2.gz KGXPCPGCWFWTQI-SJORKVTESA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001291774113 1064262213 /nfs/dbraw/zinc/26/22/13/1064262213.db2.gz LOKMFPCSRZPOIW-ZJOUEHCJSA-N 1 1 494.731 2.855 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001291774119 1064262227 /nfs/dbraw/zinc/26/22/27/1064262227.db2.gz LSCYSKZVRGUGBN-FDDCHVKYSA-N 1 1 470.618 2.968 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001291774120 1064262240 /nfs/dbraw/zinc/26/22/40/1064262240.db2.gz LSCYSKZVRGUGBN-JPYJTQIMSA-N 1 1 470.618 2.968 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001291774438 1064262637 /nfs/dbraw/zinc/26/26/37/1064262637.db2.gz NFTSATCEHWATDV-IRLDBZIGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774666 1064263028 /nfs/dbraw/zinc/26/30/28/1064263028.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 1 1 458.655 2.696 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774666 1064263036 /nfs/dbraw/zinc/26/30/36/1064263036.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 1 1 458.655 2.696 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](COC)OC)C[C@@H]1C ZINC001296153457 1064263382 /nfs/dbraw/zinc/26/33/82/1064263382.db2.gz BJDIAQWPYOQHKO-JKSUJKDBSA-N 1 1 452.397 2.899 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@H]1CC ZINC001291774983 1064263587 /nfs/dbraw/zinc/26/35/87/1064263587.db2.gz SWHHTVNWZLRWKN-AZUAARDMSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264318 /nfs/dbraw/zinc/26/43/18/1064264318.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 1 1 477.451 2.959 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001296154471 1064265406 /nfs/dbraw/zinc/26/54/06/1064265406.db2.gz FWCRCAUSZHTXJM-RHSMWYFYSA-N 1 1 452.481 2.707 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@](C)(O)CC)C[C@H]1C ZINC001296154451 1064265434 /nfs/dbraw/zinc/26/54/34/1064265434.db2.gz FOCWSCSVKFFGLB-IQGLISFBSA-N 1 1 467.618 2.927 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001291777039 1064265444 /nfs/dbraw/zinc/26/54/44/1064265444.db2.gz BCUTZQMRJYGDIX-UGKGYDQZSA-N 1 1 453.635 2.948 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001296154803 1064266030 /nfs/dbraw/zinc/26/60/30/1064266030.db2.gz KFYFVYNXEBVEDL-OALUTQOASA-N 1 1 470.622 2.913 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001296154807 1064266506 /nfs/dbraw/zinc/26/65/06/1064266506.db2.gz KGARZUDPMOFPRH-LBPRGKRZSA-N 1 1 469.903 2.720 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCSC)C[C@H]1C ZINC001296155623 1064267148 /nfs/dbraw/zinc/26/71/48/1064267148.db2.gz QNLIJCYZYCQKCI-QGZVFWFLSA-N 1 1 465.693 2.912 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001291779244 1064267314 /nfs/dbraw/zinc/26/73/14/1064267314.db2.gz ORAWTPUZNQTZPZ-LJQANCHMSA-N 1 1 454.648 2.773 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001291779290 1064267398 /nfs/dbraw/zinc/26/73/98/1064267398.db2.gz PGCILSSNBOZRRX-MWTRTKDXSA-N 1 1 462.545 2.908 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291779695 1064267880 /nfs/dbraw/zinc/26/78/80/1064267880.db2.gz RXLWINYRKDUOLE-VAMGGRTRSA-N 1 1 480.654 2.932 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296156368 1064268508 /nfs/dbraw/zinc/26/85/08/1064268508.db2.gz UBANYXDEMHHCPF-IBGZPJMESA-N 1 1 453.591 2.709 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001291781563 1064268865 /nfs/dbraw/zinc/26/88/65/1064268865.db2.gz GDBJKXBOHVRAKE-UZLBHIALSA-N 1 1 458.636 2.676 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001291781828 1064269663 /nfs/dbraw/zinc/26/96/63/1064269663.db2.gz JEJQLMADWNRLFV-SFHVURJKSA-N 1 1 480.617 2.689 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C[C@H]1C ZINC001296157477 1064269946 /nfs/dbraw/zinc/26/99/46/1064269946.db2.gz XTKVTIWZMPQJML-ZBFHGGJFSA-N 1 1 452.481 2.707 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001291782028 1064270041 /nfs/dbraw/zinc/27/00/41/1064270041.db2.gz LJHGSTIRWRYZPB-RBBKRZOGSA-N 1 1 453.635 2.740 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001291782149 1064270147 /nfs/dbraw/zinc/27/01/47/1064270147.db2.gz LUCCAPZUCDQHAX-DFBJGRDBSA-N 1 1 454.619 2.519 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001291782293 1064270603 /nfs/dbraw/zinc/27/06/03/1064270603.db2.gz CMZCAUVZRFUFOM-NQIIRXRSSA-N 1 1 458.582 2.848 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](COC)OC)C[C@@H]1C ZINC001296158735 1064271846 /nfs/dbraw/zinc/27/18/46/1064271846.db2.gz IRSSFQBBCHJAPI-ICSRJNTNSA-N 1 1 480.654 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291782522 1064271840 /nfs/dbraw/zinc/27/18/40/1064271840.db2.gz PTWSHVNSIOEIBS-VSKRKVRLSA-N 1 1 473.710 2.587 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291782548 1064272328 /nfs/dbraw/zinc/27/23/28/1064272328.db2.gz FEUREZIXDDRQSL-WOJBJXKFSA-N 1 1 491.681 2.967 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001291782628 1064272774 /nfs/dbraw/zinc/27/27/74/1064272774.db2.gz FUGPRXMKTVANNV-DENIHFKCSA-N 1 1 470.618 2.717 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001291782714 1064273612 /nfs/dbraw/zinc/27/36/12/1064273612.db2.gz SIUXMJMQNNLSGC-IBGZPJMESA-N 1 1 452.607 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001291782896 1064273971 /nfs/dbraw/zinc/27/39/71/1064273971.db2.gz UVKGCOOMWFRDQD-RBBKRZOGSA-N 1 1 468.650 2.576 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291782957 1064274655 /nfs/dbraw/zinc/27/46/55/1064274655.db2.gz WAZSPZDXYFILIB-WPFOTENUSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@H](C(F)F)N2CCOCC2)C[C@@H]1C ZINC001296161343 1064274758 /nfs/dbraw/zinc/27/47/58/1064274758.db2.gz JPACSDNWILBEOD-PZJWPPBQSA-N 1 1 492.615 2.764 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296162297 1064275968 /nfs/dbraw/zinc/27/59/68/1064275968.db2.gz NIKWJJGEDDFHBN-QGZVFWFLSA-N 1 1 459.545 2.569 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001291783498 1064277088 /nfs/dbraw/zinc/27/70/88/1064277088.db2.gz NBTJBLWFDKEAIT-INIZCTEOSA-N 1 1 469.615 2.663 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277650 /nfs/dbraw/zinc/27/76/50/1064277650.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277664 /nfs/dbraw/zinc/27/76/64/1064277664.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 1 1 458.626 2.895 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001291783843 1064277770 /nfs/dbraw/zinc/27/77/70/1064277770.db2.gz CDSSESHXVZWONB-SIKLNZKXSA-N 1 1 488.608 2.727 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001296163791 1064278825 /nfs/dbraw/zinc/27/88/25/1064278825.db2.gz XMYWLJXNJCSWEN-RKXCMPKHSA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001296163791 1064278838 /nfs/dbraw/zinc/27/88/38/1064278838.db2.gz XMYWLJXNJCSWEN-RKXCMPKHSA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1=O ZINC001296163560 1064278902 /nfs/dbraw/zinc/27/89/02/1064278902.db2.gz ZJHOLFGKLLWSCW-LSDHHAIUSA-N 1 1 452.368 2.806 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001291784454 1064279398 /nfs/dbraw/zinc/27/93/98/1064279398.db2.gz RMNWRRMOZRZSGM-GOSISDBHSA-N 1 1 487.674 2.591 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001291784915 1064279963 /nfs/dbraw/zinc/27/99/63/1064279963.db2.gz STZZLCCBMCWINA-WZOHSFFVSA-N 1 1 473.618 2.980 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C[C@@H]1C ZINC001296163914 1064280899 /nfs/dbraw/zinc/28/08/99/1064280899.db2.gz ZGFXBGQMBFEDIQ-IYWMVGAKSA-N 1 1 478.638 2.542 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291785380 1064281211 /nfs/dbraw/zinc/28/12/11/1064281211.db2.gz VMHJXYSHKNNONC-IBGZPJMESA-N 1 1 468.581 2.843 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001291786239 1064283064 /nfs/dbraw/zinc/28/30/64/1064283064.db2.gz RNIZLZCPXRGZKF-RBBKRZOGSA-N 1 1 490.674 2.761 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291787309 1064284658 /nfs/dbraw/zinc/28/46/58/1064284658.db2.gz ZHZSSCCFZFMOHU-PMVMPFDFSA-N 1 1 490.693 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291787334 1064284698 /nfs/dbraw/zinc/28/46/98/1064284698.db2.gz ZVEBCTJZECPIHL-PZJWPPBQSA-N 1 1 454.619 2.883 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296166230 1064288029 /nfs/dbraw/zinc/28/80/29/1064288029.db2.gz NIMRMCKPRZQYGS-QGZVFWFLSA-N 1 1 468.524 2.683 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001296168311 1064291309 /nfs/dbraw/zinc/29/13/09/1064291309.db2.gz JPJFKSJRTBJXHX-MRXNPFEDSA-N 1 1 451.497 2.974 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001296173239 1064295475 /nfs/dbraw/zinc/29/54/75/1064295475.db2.gz CUAHIZCJDJGHBK-QRFRQXIXSA-N 1 1 498.550 2.917 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173461 1064296095 /nfs/dbraw/zinc/29/60/95/1064296095.db2.gz HFEVBTYXXRVNQR-HXUWFJFHSA-N 1 1 475.682 2.659 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291794986 1064298328 /nfs/dbraw/zinc/29/83/28/1064298328.db2.gz FLDQLNGXOZARLU-LJQANCHMSA-N 1 1 490.674 2.574 20 0 JFADMO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C[C@@H]1C ZINC001296173760 1064298867 /nfs/dbraw/zinc/29/88/67/1064298867.db2.gz LSPLCMXNIXBRQM-LOKHSYKPSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C[C@@H]1C ZINC001296173760 1064298888 /nfs/dbraw/zinc/29/88/88/1064298888.db2.gz LSPLCMXNIXBRQM-LOKHSYKPSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001296174215 1064302038 /nfs/dbraw/zinc/30/20/38/1064302038.db2.gz OOAVFQODBMJVKG-KRWDZBQOSA-N 1 1 458.998 2.802 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302459 /nfs/dbraw/zinc/30/24/59/1064302459.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 1 1 486.661 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302471 /nfs/dbraw/zinc/30/24/71/1064302471.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 1 1 486.661 2.753 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174780 1064302576 /nfs/dbraw/zinc/30/25/76/1064302576.db2.gz UDFYUVMTSGLPJP-QGZVFWFLSA-N 1 1 460.696 2.989 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064303009 /nfs/dbraw/zinc/30/30/09/1064303009.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 1 1 497.688 2.639 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064303021 /nfs/dbraw/zinc/30/30/21/1064303021.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 1 1 497.688 2.639 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303469 /nfs/dbraw/zinc/30/34/69/1064303469.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 1 1 486.661 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303483 /nfs/dbraw/zinc/30/34/83/1064303483.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 1 1 486.661 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304497 /nfs/dbraw/zinc/30/44/97/1064304497.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)C1=O ZINC001296178513 1064305201 /nfs/dbraw/zinc/30/52/01/1064305201.db2.gz AAEFGGNTGGRQMH-QFIPXVFZSA-N 1 1 489.709 2.950 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001296178732 1064306612 /nfs/dbraw/zinc/30/66/12/1064306612.db2.gz CNLGCBVMUROQER-DZRGJMJISA-N 1 1 474.625 2.934 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178941 1064307043 /nfs/dbraw/zinc/30/70/43/1064307043.db2.gz CPZWLYCHIKIPQR-HYBUGGRVSA-N 1 1 480.723 2.677 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179491 1064308740 /nfs/dbraw/zinc/30/87/40/1064308740.db2.gz HKUZWQZEIKMIEA-IBGZPJMESA-N 1 1 481.016 2.617 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180251 1064311278 /nfs/dbraw/zinc/31/12/78/1064311278.db2.gz LRBCDZMKGDKJAO-IRXDYDNUSA-N 1 1 462.586 2.989 20 0 JFADMO CCN1CCN(C2CCN(c3nnc([C@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)C1=O ZINC001296180292 1064311607 /nfs/dbraw/zinc/31/16/07/1064311607.db2.gz MVCNVSPZKKHOQW-FQEVSTJZSA-N 1 1 461.655 2.629 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181157 1064314299 /nfs/dbraw/zinc/31/42/99/1064314299.db2.gz SRIMJVKKTPDHBO-NTKDMRAZSA-N 1 1 477.053 2.602 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001291803137 1064314749 /nfs/dbraw/zinc/31/47/49/1064314749.db2.gz ATUTXLFFWQKQHA-FQEVSTJZSA-N 1 1 494.644 2.623 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181321 1064314953 /nfs/dbraw/zinc/31/49/53/1064314953.db2.gz VRMHWIJMTMTPSY-LJQANCHMSA-N 1 1 457.589 2.646 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291803278 1064315761 /nfs/dbraw/zinc/31/57/61/1064315761.db2.gz JXQMHNVUEXONLZ-SFHVURJKSA-N 1 1 468.606 2.597 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181638 1064316268 /nfs/dbraw/zinc/31/62/68/1064316268.db2.gz AEQMEWKSKVWEFU-FPOVZHCZSA-N 1 1 475.682 2.702 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC(CC)(CC)SC)C2)CC1 ZINC001296181654 1064316941 /nfs/dbraw/zinc/31/69/41/1064316941.db2.gz AODYOQVLAATAEI-HXUWFJFHSA-N 1 1 477.723 2.539 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181750 1064317623 /nfs/dbraw/zinc/31/76/23/1064317623.db2.gz ZXCOIJBROIUJCE-IRLDBZIGSA-N 1 1 455.651 2.926 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181749 1064317821 /nfs/dbraw/zinc/31/78/21/1064317821.db2.gz ZXCOIJBROIUJCE-IFMALSPDSA-N 1 1 455.651 2.926 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181827 1064318432 /nfs/dbraw/zinc/31/84/32/1064318432.db2.gz DYVHWJBDMMMHPY-UUOWRZLLSA-N 1 1 462.589 2.524 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001291804225 1064320550 /nfs/dbraw/zinc/32/05/50/1064320550.db2.gz PCSTVQLZDVXPOM-GBESFXJTSA-N 1 1 470.618 2.940 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182361 1064323115 /nfs/dbraw/zinc/32/31/15/1064323115.db2.gz QSDAIWYBLOLOHC-OZXSUGGESA-N 1 1 454.663 2.687 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291807096 1064329821 /nfs/dbraw/zinc/32/98/21/1064329821.db2.gz XOINECHHTADXCP-IBGZPJMESA-N 1 1 480.592 2.891 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291807098 1064329843 /nfs/dbraw/zinc/32/98/43/1064329843.db2.gz XOINECHHTADXCP-LJQANCHMSA-N 1 1 480.592 2.891 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001291807157 1064330205 /nfs/dbraw/zinc/33/02/05/1064330205.db2.gz YFGVXJNDEDPPEY-SFHVURJKSA-N 1 1 466.565 2.501 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296183850 1064330288 /nfs/dbraw/zinc/33/02/88/1064330288.db2.gz HCUPNFCGTUCCIL-MJGOQNOKSA-N 1 1 494.482 2.925 20 0 JFADMO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001296185688 1064333635 /nfs/dbraw/zinc/33/36/35/1064333635.db2.gz QOOWRQGRHJHPMV-QFIPXVFZSA-N 1 1 468.694 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186029 1064333689 /nfs/dbraw/zinc/33/36/89/1064333689.db2.gz SDBBLVJCQQNPKG-QFIPXVFZSA-N 1 1 473.710 2.904 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186690 1064334983 /nfs/dbraw/zinc/33/49/83/1064334983.db2.gz YENXRZMURLHCOQ-LJQANCHMSA-N 1 1 459.605 2.750 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190030 1064336769 /nfs/dbraw/zinc/33/67/69/1064336769.db2.gz AZXBNHKRGSTMNH-GGAORHGYSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190032 1064337000 /nfs/dbraw/zinc/33/70/00/1064337000.db2.gz AZXBNHKRGSTMNH-JTHBVZDNSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291811833 1064338350 /nfs/dbraw/zinc/33/83/50/1064338350.db2.gz NOOBXHRKHCKULC-HOYKHHGWSA-N 1 1 458.582 2.690 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190839 1064340555 /nfs/dbraw/zinc/34/05/55/1064340555.db2.gz GCDINCBXVIBEAZ-GOTSBHOMSA-N 1 1 454.663 2.952 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192074 1064344201 /nfs/dbraw/zinc/34/42/01/1064344201.db2.gz MAJOFZJVMLHCEJ-SWYRRKHMSA-N 1 1 489.709 2.854 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192866 1064347423 /nfs/dbraw/zinc/34/74/23/1064347423.db2.gz HAWBHZOVSNZQNR-NFBKMPQASA-N 1 1 483.661 2.529 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(Cc3csc(C)n3)CC2)CC1 ZINC001296193272 1064349683 /nfs/dbraw/zinc/34/96/83/1064349683.db2.gz IFLFLQDKMPFLQU-UHFFFAOYSA-N 1 1 474.723 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296193387 1064350400 /nfs/dbraw/zinc/35/04/00/1064350400.db2.gz IRPCQWARIXARDH-BJLQDIEVSA-N 1 1 481.567 2.770 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193768 1064353183 /nfs/dbraw/zinc/35/31/83/1064353183.db2.gz QCZHXQSVHGJWQN-SQJMNOBHSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC001296193989 1064353217 /nfs/dbraw/zinc/35/32/17/1064353217.db2.gz LVHKAHFEIILILO-JOCHJYFZSA-N 1 1 472.613 2.544 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291818207 1064353329 /nfs/dbraw/zinc/35/33/29/1064353329.db2.gz RGRRZBOPKIKTCI-FDFHNCONSA-N 1 1 497.688 2.894 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296194535 1064356086 /nfs/dbraw/zinc/35/60/86/1064356086.db2.gz MKIOJVNCFNEHIF-RUZDIDTESA-N 1 1 468.650 2.970 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194592 1064356947 /nfs/dbraw/zinc/35/69/47/1064356947.db2.gz MRPRYXKUHJYSEF-UHFFFAOYSA-N 1 1 476.576 2.579 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195040 1064358769 /nfs/dbraw/zinc/35/87/69/1064358769.db2.gz UUXXRGFCLBJBNJ-FCHUYYIVSA-N 1 1 456.683 2.553 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195644 1064359769 /nfs/dbraw/zinc/35/97/69/1064359769.db2.gz PRWHKFYQBJRPTH-UNMCSNQZSA-N 1 1 498.676 2.717 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195606 1064361833 /nfs/dbraw/zinc/36/18/33/1064361833.db2.gz WMDQWHCNYBRSAK-FHWLQOOXSA-N 1 1 460.589 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296195668 1064362603 /nfs/dbraw/zinc/36/26/03/1064362603.db2.gz XBGQBYCMADEBJA-QHCPKHFHSA-N 1 1 497.688 2.615 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822338 1064363333 /nfs/dbraw/zinc/36/33/33/1064363333.db2.gz HQDSVLRVIOUOFM-GOSISDBHSA-N 1 1 484.674 2.828 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196157 1064365783 /nfs/dbraw/zinc/36/57/83/1064365783.db2.gz XMEJNRLTNVWGFQ-JTHBVZDNSA-N 1 1 469.678 2.789 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001291822995 1064367441 /nfs/dbraw/zinc/36/74/41/1064367441.db2.gz PSDPFYFTYVAYDT-RTBURBONSA-N 1 1 487.674 2.650 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196741 1064369632 /nfs/dbraw/zinc/36/96/32/1064369632.db2.gz ZUQZWJSIMAXYLF-QFIPXVFZSA-N 1 1 482.673 2.726 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291825570 1064372923 /nfs/dbraw/zinc/37/29/23/1064372923.db2.gz BXEWPZWRVDVFAL-CLOONOSVSA-N 1 1 488.608 2.602 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnn(C(C)C)c2I)cn1 ZINC001291825903 1064372952 /nfs/dbraw/zinc/37/29/52/1064372952.db2.gz OAQFJYIUPNIMIK-UHFFFAOYSA-N 1 1 450.284 2.888 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197382 1064373323 /nfs/dbraw/zinc/37/33/23/1064373323.db2.gz XQHZYCPADLOCHM-DHLKQENFSA-N 1 1 462.683 2.829 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296197513 1064374532 /nfs/dbraw/zinc/37/45/32/1064374532.db2.gz YKFKPDOHVLIWKB-FQEVSTJZSA-N 1 1 471.625 2.559 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC001296202218 1064377103 /nfs/dbraw/zinc/37/71/03/1064377103.db2.gz BHOFXOYAEMNPJG-GOSISDBHSA-N 1 1 454.545 2.671 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296202232 1064377796 /nfs/dbraw/zinc/37/77/96/1064377796.db2.gz BOBUBQMADLKNDO-UHFFFAOYSA-N 1 1 457.667 2.724 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC2)CC1 ZINC001296202915 1064378546 /nfs/dbraw/zinc/37/85/46/1064378546.db2.gz GOCPNTFKKNTGCL-UHFFFAOYSA-N 1 1 464.456 2.920 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296202917 1064378596 /nfs/dbraw/zinc/37/85/96/1064378596.db2.gz GPJOSLXTQOBJHQ-UHFFFAOYSA-N 1 1 469.678 2.902 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203029 1064379171 /nfs/dbraw/zinc/37/91/71/1064379171.db2.gz GZKZNHBGIXHNGJ-OAQYLSRUSA-N 1 1 464.561 2.793 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296202974 1064380107 /nfs/dbraw/zinc/38/01/07/1064380107.db2.gz JPTFTXLPIOLHHE-QFIPXVFZSA-N 1 1 478.682 2.773 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296203132 1064380530 /nfs/dbraw/zinc/38/05/30/1064380530.db2.gz IPAAMMNGCJCAGU-HXUWFJFHSA-N 1 1 463.671 2.923 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203306 1064381343 /nfs/dbraw/zinc/38/13/43/1064381343.db2.gz KLWPUNXFEZMMNT-UHFFFAOYSA-N 1 1 473.710 2.832 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203903 1064384028 /nfs/dbraw/zinc/38/40/28/1064384028.db2.gz CZXSCDDNWZEKOF-RTWAWAEBSA-N 1 1 450.697 2.922 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296203844 1064384184 /nfs/dbraw/zinc/38/41/84/1064384184.db2.gz PWFBRDXMNIUDBI-IBGZPJMESA-N 1 1 479.073 2.613 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296204358 1064385550 /nfs/dbraw/zinc/38/55/50/1064385550.db2.gz UPCDIWWUKARKOZ-FQEVSTJZSA-N 1 1 463.671 2.875 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204245 1064385611 /nfs/dbraw/zinc/38/56/11/1064385611.db2.gz IXMCRPZBFGEPOS-YADHBBJMSA-N 1 1 462.683 2.984 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296204957 1064388489 /nfs/dbraw/zinc/38/84/89/1064388489.db2.gz OHFCQYVWCOPULR-UHFFFAOYSA-N 1 1 468.572 2.962 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296205462 1064391193 /nfs/dbraw/zinc/39/11/93/1064391193.db2.gz AAIPNHHVGDSFFQ-UHFFFAOYSA-N 1 1 472.041 2.699 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001291831994 1064394660 /nfs/dbraw/zinc/39/46/60/1064394660.db2.gz DYVWANZUSLMFPC-FPOVZHCZSA-N 1 1 471.650 2.758 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832259 1064395971 /nfs/dbraw/zinc/39/59/71/1064395971.db2.gz GBOSHXOBGQSNRN-YADHBBJMSA-N 1 1 497.688 2.722 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296207644 1064398684 /nfs/dbraw/zinc/39/86/84/1064398684.db2.gz ZWMNMASVFYINEM-RDPSFJRHSA-N 1 1 486.661 2.851 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001296209866 1064399200 /nfs/dbraw/zinc/39/92/00/1064399200.db2.gz ADWXQXYWOIWETH-UHFFFAOYSA-N 1 1 473.710 2.733 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001296210264 1064400796 /nfs/dbraw/zinc/40/07/96/1064400796.db2.gz DCQULRQHENWCLB-QHCPKHFHSA-N 1 1 497.688 2.758 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296211304 1064401817 /nfs/dbraw/zinc/40/18/17/1064401817.db2.gz MFMWQTVDVQTIGX-UPVQGACJSA-N 1 1 454.663 2.952 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296211317 1064401842 /nfs/dbraw/zinc/40/18/42/1064401842.db2.gz MWSSRTMTJRBOHC-UHFFFAOYSA-N 1 1 475.632 2.592 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CC2)CC1 ZINC001296212556 1064404417 /nfs/dbraw/zinc/40/44/17/1064404417.db2.gz AAJSKBWGGIIETO-FQEVSTJZSA-N 1 1 461.655 2.976 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001291833773 1064405017 /nfs/dbraw/zinc/40/50/17/1064405017.db2.gz OUHRZNOBEJOEKR-FQEVSTJZSA-N 1 1 486.064 2.897 20 0 JFADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+](C)C2CCCC2)c2ccccc2c1=O ZINC001296213393 1064408590 /nfs/dbraw/zinc/40/85/90/1064408590.db2.gz ILHONBULEZMWLO-UHFFFAOYSA-N 1 1 494.644 2.510 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291834184 1064408694 /nfs/dbraw/zinc/40/86/94/1064408694.db2.gz UVNJVGPTCSSRRL-YADHBBJMSA-N 1 1 497.688 2.722 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001291834204 1064408738 /nfs/dbraw/zinc/40/87/38/1064408738.db2.gz VBXOHFZCNJEKDN-RTBURBONSA-N 1 1 489.068 2.515 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CC[C@@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213915 1064411496 /nfs/dbraw/zinc/41/14/96/1064411496.db2.gz LHOIIXJZXGQEED-VWLOTQADSA-N 1 1 458.626 2.840 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001296214859 1064415026 /nfs/dbraw/zinc/41/50/26/1064415026.db2.gz PGTGRWZQDQWUTM-NHCUHLMSSA-N 1 1 456.635 2.986 20 0 JFADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001296216055 1064421635 /nfs/dbraw/zinc/42/16/35/1064421635.db2.gz ZGCNZQOPLTZXBD-GOSISDBHSA-N 1 1 494.644 2.510 20 0 JFADMO CCn1nc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219154 1064432368 /nfs/dbraw/zinc/43/23/68/1064432368.db2.gz IWVPMIPEJDOUNP-GHTZIAJQSA-N 1 1 467.618 2.876 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@@H](C)CC(N)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC001291841440 1064441758 /nfs/dbraw/zinc/44/17/58/1064441758.db2.gz WBGSYVZYLKNRAE-PIBDYAPNSA-N 1 1 486.686 2.728 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291856945 1064464285 /nfs/dbraw/zinc/46/42/85/1064464285.db2.gz JZKJDMKWQNQKJD-NNXSRULWSA-N 1 1 468.646 2.986 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859431 1064468497 /nfs/dbraw/zinc/46/84/97/1064468497.db2.gz ZHTPIYFLLKCHOE-CTNGQTDRSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859431 1064468506 /nfs/dbraw/zinc/46/85/06/1064468506.db2.gz ZHTPIYFLLKCHOE-CTNGQTDRSA-N 1 1 454.619 2.598 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296232066 1064468801 /nfs/dbraw/zinc/46/88/01/1064468801.db2.gz POPRKEPXHIPOOD-KDURUIRLSA-N 1 1 472.634 2.661 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296232066 1064468810 /nfs/dbraw/zinc/46/88/10/1064468810.db2.gz POPRKEPXHIPOOD-KDURUIRLSA-N 1 1 472.634 2.661 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859436 1064469481 /nfs/dbraw/zinc/46/94/81/1064469481.db2.gz ZHTPIYFLLKCHOE-PZJWPPBQSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859436 1064469485 /nfs/dbraw/zinc/46/94/85/1064469485.db2.gz ZHTPIYFLLKCHOE-PZJWPPBQSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291859924 1064469512 /nfs/dbraw/zinc/46/95/12/1064469512.db2.gz JGXXTXQJSGAHMR-TYPHKJRUSA-N 1 1 490.599 2.748 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291859919 1064469542 /nfs/dbraw/zinc/46/95/42/1064469542.db2.gz JGXXTXQJSGAHMR-HMXCVIKNSA-N 1 1 490.599 2.748 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291859960 1064469888 /nfs/dbraw/zinc/46/98/88/1064469888.db2.gz JOQBNMDQYVOALG-AKIFATBCSA-N 1 1 457.619 2.782 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001296232790 1064472777 /nfs/dbraw/zinc/47/27/77/1064472777.db2.gz IYHCFAQBPMEBOH-GOSISDBHSA-N 1 1 472.609 2.936 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864429 1064477707 /nfs/dbraw/zinc/47/77/07/1064477707.db2.gz UIRXTGAPRVCONG-ZJSXRUAMSA-N 1 1 481.689 2.808 20 0 JFADMO CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864484 1064477762 /nfs/dbraw/zinc/47/77/62/1064477762.db2.gz GLVHKXLXUVVRGP-QPPBQGQZSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291867080 1064480105 /nfs/dbraw/zinc/48/01/05/1064480105.db2.gz QZYZVVCUFCQAST-QFIPXVFZSA-N 1 1 454.619 2.634 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001296241552 1064496981 /nfs/dbraw/zinc/49/69/81/1064496981.db2.gz CTDUCGBWGTVUKV-UHFFFAOYSA-N 1 1 479.604 2.888 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001296242683 1064502164 /nfs/dbraw/zinc/50/21/64/1064502164.db2.gz PGAHATXKSVCSCU-LJQANCHMSA-N 1 1 453.635 2.737 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881929 1064504228 /nfs/dbraw/zinc/50/42/28/1064504228.db2.gz ZGYAAYZTYBXINY-FYYLOGMGSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881929 1064504244 /nfs/dbraw/zinc/50/42/44/1064504244.db2.gz ZGYAAYZTYBXINY-FYYLOGMGSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881929 1064504254 /nfs/dbraw/zinc/50/42/54/1064504254.db2.gz ZGYAAYZTYBXINY-FYYLOGMGSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291882635 1064504543 /nfs/dbraw/zinc/50/45/43/1064504543.db2.gz VJOQEDIAGCUMAY-BJKOFHAPSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887660 1064508957 /nfs/dbraw/zinc/50/89/57/1064508957.db2.gz MGCOQOKDGHAEHU-OAQYLSRUSA-N 1 1 470.618 2.819 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887956 1064510401 /nfs/dbraw/zinc/51/04/01/1064510401.db2.gz LPUFMWXBZWNMSW-VABKMULXSA-N 1 1 468.646 2.879 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291888349 1064511495 /nfs/dbraw/zinc/51/14/95/1064511495.db2.gz RRJYKTZJQKJGEZ-BJKOFHAPSA-N 1 1 468.646 2.725 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001296250286 1064513065 /nfs/dbraw/zinc/51/30/65/1064513065.db2.gz VNCMKLKFWCTTMU-LJQANCHMSA-N 1 1 470.618 2.703 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889178 1064514114 /nfs/dbraw/zinc/51/41/14/1064514114.db2.gz ZQTANGYXGGDGAK-UPVQGACJSA-N 1 1 497.688 2.982 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001296251984 1064515714 /nfs/dbraw/zinc/51/57/14/1064515714.db2.gz VYKXLDCQRGUTQN-WOJBJXKFSA-N 1 1 492.709 2.906 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001296251984 1064515725 /nfs/dbraw/zinc/51/57/25/1064515725.db2.gz VYKXLDCQRGUTQN-WOJBJXKFSA-N 1 1 492.709 2.906 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892513 1064519553 /nfs/dbraw/zinc/51/95/53/1064519553.db2.gz GCBRNVCUWKSCBB-RXVVDRJESA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892513 1064519562 /nfs/dbraw/zinc/51/95/62/1064519562.db2.gz GCBRNVCUWKSCBB-RXVVDRJESA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892513 1064519575 /nfs/dbraw/zinc/51/95/75/1064519575.db2.gz GCBRNVCUWKSCBB-RXVVDRJESA-N 1 1 452.607 2.646 20 0 JFADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC001296256405 1064520448 /nfs/dbraw/zinc/52/04/48/1064520448.db2.gz CADMYQODARDZKP-UHFFFAOYSA-N 1 1 459.612 2.740 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893011 1064520848 /nfs/dbraw/zinc/52/08/48/1064520848.db2.gz JLIPKRZHKRVIGS-XLGIIRLISA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291900931 1064531579 /nfs/dbraw/zinc/53/15/79/1064531579.db2.gz KIQYSRNFUQKDBK-JTHBVZDNSA-N 1 1 472.703 2.662 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930839 1064548255 /nfs/dbraw/zinc/54/82/55/1064548255.db2.gz DQINTZZZYSDXLE-MDNUFGMLSA-N 1 1 490.693 2.756 20 0 JFADMO C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N1CCN(c2ccc(F)cc2)CC1 ZINC001296281134 1064552255 /nfs/dbraw/zinc/55/22/55/1064552255.db2.gz STFJJWBYSGUUML-CJFMBICVSA-N 1 1 454.590 2.609 20 0 JFADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933477 1064552337 /nfs/dbraw/zinc/55/23/37/1064552337.db2.gz HMXWMCCYIQJBFA-ZJSXRUAMSA-N 1 1 497.688 2.848 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001296283125 1064554721 /nfs/dbraw/zinc/55/47/21/1064554721.db2.gz KMEXFANSDZHJRJ-SIKLNZKXSA-N 1 1 487.718 2.978 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001296283915 1064556036 /nfs/dbraw/zinc/55/60/36/1064556036.db2.gz YUQBMRUIHKBCTB-JOCHJYFZSA-N 1 1 468.646 2.966 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)CC1 ZINC001296288602 1064561747 /nfs/dbraw/zinc/56/17/47/1064561747.db2.gz LPEPPEWDWZOSKO-IBGZPJMESA-N 1 1 487.718 2.730 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001291953139 1064566237 /nfs/dbraw/zinc/56/62/37/1064566237.db2.gz OVZSFAXHBUNASJ-TZIWHRDSSA-N 1 1 485.633 2.678 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001296293119 1064568446 /nfs/dbraw/zinc/56/84/46/1064568446.db2.gz GJJCQEMONQKIJM-DEOSSOPVSA-N 1 1 495.716 2.689 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(CC)C1)[NH+]1CCOCC1 ZINC001291954968 1064569180 /nfs/dbraw/zinc/56/91/80/1064569180.db2.gz WLXAUXCWCCJTRU-SQJMNOBHSA-N 1 1 476.666 2.656 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001296293912 1064570031 /nfs/dbraw/zinc/57/00/31/1064570031.db2.gz FQTJVEZAMWJZRB-JOCHJYFZSA-N 1 1 488.080 2.655 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001291955565 1064570420 /nfs/dbraw/zinc/57/04/20/1064570420.db2.gz NJXZUUNIRGDNPX-BWAGFHJFSA-N 1 1 457.623 2.733 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001291955572 1064570490 /nfs/dbraw/zinc/57/04/90/1064570490.db2.gz NJXZUUNIRGDNPX-QIJUGHKUSA-N 1 1 457.623 2.733 20 0 JFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001291958771 1064572628 /nfs/dbraw/zinc/57/26/28/1064572628.db2.gz HAJIVFCVLJLWJV-NQIIRXRSSA-N 1 1 458.603 2.977 20 0 JFADMO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)CC1)[NH+]1CCOCC1 ZINC001291961850 1064575259 /nfs/dbraw/zinc/57/52/59/1064575259.db2.gz NOWWKAIEUWRGHH-NRFANRHFSA-N 1 1 475.659 2.659 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296312271 1064592702 /nfs/dbraw/zinc/59/27/02/1064592702.db2.gz XAPHMUOFTSOFJD-BGYRXZFFSA-N 1 1 499.660 2.693 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312797 1064593027 /nfs/dbraw/zinc/59/30/27/1064593027.db2.gz ZVFNDURTXHKPLA-HXUWFJFHSA-N 1 1 454.623 2.704 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315454 1064594408 /nfs/dbraw/zinc/59/44/08/1064594408.db2.gz BSPFTYWSTSMISV-HXUWFJFHSA-N 1 1 453.635 2.761 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)s3)cc2)C[C@H](C)O1 ZINC001291990488 1064606363 /nfs/dbraw/zinc/60/63/63/1064606363.db2.gz NCSQSSNPZKOKME-HDICACEKSA-N 1 1 456.612 2.997 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001291994060 1064610608 /nfs/dbraw/zinc/61/06/08/1064610608.db2.gz OFVSZVCVVUFXRK-GOSISDBHSA-N 1 1 467.622 2.642 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001296324790 1064612208 /nfs/dbraw/zinc/61/22/08/1064612208.db2.gz CBRMINKQEBCIOA-IPMKNSEASA-N 1 1 494.637 2.560 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001292007501 1064627518 /nfs/dbraw/zinc/62/75/18/1064627518.db2.gz OHJVUSXZZMSENS-RUZDIDTESA-N 1 1 478.682 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCCC1(C)C ZINC001292007501 1064627523 /nfs/dbraw/zinc/62/75/23/1064627523.db2.gz OHJVUSXZZMSENS-RUZDIDTESA-N 1 1 478.682 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H]1CCn2ccnc2C1 ZINC001292019384 1064657633 /nfs/dbraw/zinc/65/76/33/1064657633.db2.gz FBMFXSIGZJSBPQ-GBESFXJTSA-N 1 1 456.639 2.575 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCCCn1cc[nH+]c1C ZINC001292025322 1064676099 /nfs/dbraw/zinc/67/60/99/1064676099.db2.gz WNDNFINXVQAUDM-LJQANCHMSA-N 1 1 487.649 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030097 1064687006 /nfs/dbraw/zinc/68/70/06/1064687006.db2.gz LTKCRQLVYVCIPL-FPOVZHCZSA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCn1cc[nH+]c1C ZINC001292035585 1064697615 /nfs/dbraw/zinc/69/76/15/1064697615.db2.gz HFWKLEOESJUGRT-UHFFFAOYSA-N 1 1 484.649 2.631 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)c1c(C)noc1C ZINC001292040808 1064705528 /nfs/dbraw/zinc/70/55/28/1064705528.db2.gz IFSBLRDHFXYJMW-CRICUBBOSA-N 1 1 487.649 2.906 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1ccc(N(C)C)cc1 ZINC001292042832 1064708409 /nfs/dbraw/zinc/70/84/09/1064708409.db2.gz XDBWKGFLPUNROT-MHZLTWQESA-N 1 1 497.688 2.806 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1ccccc1F ZINC001292055303 1064723533 /nfs/dbraw/zinc/72/35/33/1064723533.db2.gz QBIKHVAJKJZQTH-IBGZPJMESA-N 1 1 472.609 2.737 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CCn1cc[nH+]c1C ZINC001292067318 1064746470 /nfs/dbraw/zinc/74/64/70/1064746470.db2.gz RPFKWWRULCVAAU-DEOSSOPVSA-N 1 1 469.565 2.639 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080159 1064763524 /nfs/dbraw/zinc/76/35/24/1064763524.db2.gz NTKRURZZJZWCAH-SFTDATJTSA-N 1 1 457.615 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292086425 1064769654 /nfs/dbraw/zinc/76/96/54/1064769654.db2.gz SEYWXQZLZNJWJI-RXVVDRJESA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292091436 1064778726 /nfs/dbraw/zinc/77/87/26/1064778726.db2.gz VKGFJGLQXHGAMW-CTNGQTDRSA-N 1 1 471.654 2.750 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292095404 1064787289 /nfs/dbraw/zinc/78/72/89/1064787289.db2.gz XQNFXDABUDZVIF-IEBWSBKVSA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1CCCC1 ZINC001292104032 1064795810 /nfs/dbraw/zinc/79/58/10/1064795810.db2.gz CCYOHRAEUMSWSS-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1CCCC1 ZINC001292104032 1064795819 /nfs/dbraw/zinc/79/58/19/1064795819.db2.gz CCYOHRAEUMSWSS-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001292105621 1064799668 /nfs/dbraw/zinc/79/96/68/1064799668.db2.gz NMODNNUUDASXQX-IBGZPJMESA-N 1 1 462.639 2.660 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1cccc(OC)c1 ZINC001292106232 1064803063 /nfs/dbraw/zinc/80/30/63/1064803063.db2.gz SOJCNSFGGQWRGG-UHFFFAOYSA-N 1 1 494.644 2.699 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccncc1Cl ZINC001292109742 1064808323 /nfs/dbraw/zinc/80/83/23/1064808323.db2.gz KUGORTVTAKCWAX-GOSISDBHSA-N 1 1 490.052 2.842 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292110531 1064814224 /nfs/dbraw/zinc/81/42/24/1064814224.db2.gz JWXZVGWFBLBECD-QFIPXVFZSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292118084 1064847970 /nfs/dbraw/zinc/84/79/70/1064847970.db2.gz WNJWCGIXCYKHMA-JOCHJYFZSA-N 1 1 497.688 2.800 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001292122765 1064858861 /nfs/dbraw/zinc/85/88/61/1064858861.db2.gz WBXFRPDXJQTJON-UHFFFAOYSA-N 1 1 490.722 2.684 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCc1ccncc1 ZINC001292123386 1064861736 /nfs/dbraw/zinc/86/17/36/1064861736.db2.gz DOWMUAZOWVNJBZ-UHFFFAOYSA-N 1 1 493.660 2.507 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCOC[C@H]1OC ZINC001292123623 1064862206 /nfs/dbraw/zinc/86/22/06/1064862206.db2.gz HBBHOFCMMHGCLH-BGWNEDDSSA-N 1 1 498.672 2.959 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCOC[C@@H]1OC ZINC001292123625 1064862398 /nfs/dbraw/zinc/86/23/98/1064862398.db2.gz HBBHOFCMMHGCLH-FJIJXJHWSA-N 1 1 498.672 2.959 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)nc1 ZINC001292123988 1064863457 /nfs/dbraw/zinc/86/34/57/1064863457.db2.gz BVGOYDOINOJFBC-LJQANCHMSA-N 1 1 469.634 2.638 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1occc1C ZINC001292123677 1064863532 /nfs/dbraw/zinc/86/35/32/1064863532.db2.gz HSHVNRODOQIUAA-UHFFFAOYSA-N 1 1 482.633 2.819 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001292125414 1064869284 /nfs/dbraw/zinc/86/92/84/1064869284.db2.gz SHGRGHODSMEMCR-HXUWFJFHSA-N 1 1 495.672 2.898 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001292125789 1064871740 /nfs/dbraw/zinc/87/17/40/1064871740.db2.gz GGESUJFRUNEMTO-UHFFFAOYSA-N 1 1 497.669 2.636 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(C)s1 ZINC001292126890 1064878629 /nfs/dbraw/zinc/87/86/29/1064878629.db2.gz RKHBJZZQGOMQQM-LJQANCHMSA-N 1 1 460.648 2.916 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001292134069 1064891357 /nfs/dbraw/zinc/89/13/57/1064891357.db2.gz PIGAAULBQXAWPW-JXNPFXPLSA-N 1 1 486.686 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292136234 1064903596 /nfs/dbraw/zinc/90/35/96/1064903596.db2.gz QWXHFQJMOMIOQR-ZBLYBZFDSA-N 1 1 498.672 2.917 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CC)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001292144463 1064915427 /nfs/dbraw/zinc/91/54/27/1064915427.db2.gz MLRIDOQUJRTAFJ-QFIPXVFZSA-N 1 1 454.619 2.870 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001292145254 1064918312 /nfs/dbraw/zinc/91/83/12/1064918312.db2.gz SQEJBKRCCNAEJL-MJGOQNOKSA-N 1 1 475.663 2.963 20 0 JFADMO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC001292156128 1064937673 /nfs/dbraw/zinc/93/76/73/1064937673.db2.gz SPTJSRMTVXMTOC-GLDPYIMESA-N 1 1 453.624 2.798 20 0 JFADMO CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cn2c1 ZINC001292156897 1064938319 /nfs/dbraw/zinc/93/83/19/1064938319.db2.gz VHGDCECMCWVYDQ-LJQANCHMSA-N 1 1 457.575 2.686 20 0 JFADMO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173178 1064961269 /nfs/dbraw/zinc/96/12/69/1064961269.db2.gz PCUWVSVHTYFPIP-SXWKCWPCSA-N 1 1 484.645 2.506 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211927 1065002042 /nfs/dbraw/zinc/00/20/42/1065002042.db2.gz ZVKNBMOKBYHFOF-YOUFYPILSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211927 1065002059 /nfs/dbraw/zinc/00/20/59/1065002059.db2.gz ZVKNBMOKBYHFOF-YOUFYPILSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212054 1065002393 /nfs/dbraw/zinc/00/23/93/1065002393.db2.gz OKGZCGJWIMHWMU-DLBZAZTESA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212056 1065002521 /nfs/dbraw/zinc/00/25/21/1065002521.db2.gz OKGZCGJWIMHWMU-IRXDYDNUSA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001292225255 1065012460 /nfs/dbraw/zinc/01/24/60/1065012460.db2.gz QICHHXABLIKTSK-WCIQWLHISA-N 1 1 480.654 2.930 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001292225872 1065013298 /nfs/dbraw/zinc/01/32/98/1065013298.db2.gz QEPHBDSIUBAGEG-FDFHNCONSA-N 1 1 475.659 2.564 20 0 JFADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001292243899 1065027146 /nfs/dbraw/zinc/02/71/46/1065027146.db2.gz PZDDTORFXUVNDC-YADHBBJMSA-N 1 1 499.660 2.868 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001292243896 1065027263 /nfs/dbraw/zinc/02/72/63/1065027263.db2.gz PZDDTORFXUVNDC-FCHUYYIVSA-N 1 1 499.660 2.868 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001292273298 1065050950 /nfs/dbraw/zinc/05/09/50/1065050950.db2.gz VLKLJBDHWCOPHY-GOSISDBHSA-N 1 1 464.408 2.780 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001292273298 1065050960 /nfs/dbraw/zinc/05/09/60/1065050960.db2.gz VLKLJBDHWCOPHY-GOSISDBHSA-N 1 1 464.408 2.780 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001292275892 1065052732 /nfs/dbraw/zinc/05/27/32/1065052732.db2.gz WJVBHIRZTBTSPR-KRWDZBQOSA-N 1 1 494.434 2.788 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001292275892 1065052741 /nfs/dbraw/zinc/05/27/41/1065052741.db2.gz WJVBHIRZTBTSPR-KRWDZBQOSA-N 1 1 494.434 2.788 20 0 JFADMO CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001292288384 1065060898 /nfs/dbraw/zinc/06/08/98/1065060898.db2.gz APRPNROEHFCRMV-HSZRJFAPSA-N 1 1 482.673 2.747 20 0 JFADMO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289765 1065061509 /nfs/dbraw/zinc/06/15/09/1065061509.db2.gz OLBRBRKYTWNIKT-RCZVLFRGSA-N 1 1 496.700 2.993 20 0 JFADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001292314885 1065081980 /nfs/dbraw/zinc/08/19/80/1065081980.db2.gz VOOLBQODDPCVAR-KRWDZBQOSA-N 1 1 459.953 2.556 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001292332289 1065088248 /nfs/dbraw/zinc/08/82/48/1065088248.db2.gz RHPMOUKFVOPDLF-AWRGLXIESA-N 1 1 496.722 2.892 20 0 JFADMO CCC1(CC)CN(c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001292397273 1065135927 /nfs/dbraw/zinc/13/59/27/1065135927.db2.gz WCSCDWCJWFZZPC-UHFFFAOYSA-N 1 1 458.680 2.873 20 0 JFADMO CCC1(CC)CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001292397273 1065135933 /nfs/dbraw/zinc/13/59/33/1065135933.db2.gz WCSCDWCJWFZZPC-UHFFFAOYSA-N 1 1 458.680 2.873 20 0 JFADMO CCC1(CC)CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001292397273 1065135939 /nfs/dbraw/zinc/13/59/39/1065135939.db2.gz WCSCDWCJWFZZPC-UHFFFAOYSA-N 1 1 458.680 2.873 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)n2C[C@@H](C)OC)cc1 ZINC001292478170 1065201889 /nfs/dbraw/zinc/20/18/89/1065201889.db2.gz DYCQBKHNABOOSM-YCRNBWNJSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479741 1065204169 /nfs/dbraw/zinc/20/41/69/1065204169.db2.gz TUJZQIJOTOBXCQ-XXBNENTESA-N 1 1 468.646 2.657 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)NCCOC)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001292483948 1065205676 /nfs/dbraw/zinc/20/56/76/1065205676.db2.gz FPFAEHKPVISVAD-FQEVSTJZSA-N 1 1 468.646 2.971 20 0 JFADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC001292495601 1065213684 /nfs/dbraw/zinc/21/36/84/1065213684.db2.gz BYCAMGUKPOGIAF-XPWALMASSA-N 1 1 457.615 2.795 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC001292497123 1065215961 /nfs/dbraw/zinc/21/59/61/1065215961.db2.gz AVXWOWJJISLKKX-OAQYLSRUSA-N 1 1 474.675 2.615 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2CCC2(O)CCOCC2)cc1 ZINC001292520406 1065244942 /nfs/dbraw/zinc/24/49/42/1065244942.db2.gz INYCJIYXEVQEAZ-HSZRJFAPSA-N 1 1 471.646 2.986 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CCOC)[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520902 1065246900 /nfs/dbraw/zinc/24/69/00/1065246900.db2.gz XIVYDUACSKBNQP-JOCHJYFZSA-N 1 1 484.689 2.900 20 0 JFADMO CCc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292547952 1065268506 /nfs/dbraw/zinc/26/85/06/1065268506.db2.gz INDASIHXSHFSDI-SFHVURJKSA-N 1 1 460.648 2.733 20 0 JFADMO CCc1cccc2c(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[N@H+](CC)[C@@H](C)C3)c[nH]c21 ZINC001292567317 1065278409 /nfs/dbraw/zinc/27/84/09/1065278409.db2.gz ICFFGEAUBZCYPD-ZWKOTPCHSA-N 1 1 487.674 2.705 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292580767 1065297461 /nfs/dbraw/zinc/29/74/61/1065297461.db2.gz QIJIAHZFVQWYCD-PMACEKPBSA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001292586911 1065302431 /nfs/dbraw/zinc/30/24/31/1065302431.db2.gz NBKAEXMMCOGDHU-AREMUKBSSA-N 1 1 487.645 2.772 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(C)COCCO1 ZINC001292586911 1065302443 /nfs/dbraw/zinc/30/24/43/1065302443.db2.gz NBKAEXMMCOGDHU-AREMUKBSSA-N 1 1 487.645 2.772 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCn1cc[nH+]c1C ZINC001292588710 1065303550 /nfs/dbraw/zinc/30/35/50/1065303550.db2.gz AJXCOHHLSBTFJA-GHTZIAJQSA-N 1 1 454.575 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292589230 1065305134 /nfs/dbraw/zinc/30/51/34/1065305134.db2.gz JMFPVPAJJXEZAO-UNMCSNQZSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292589230 1065305147 /nfs/dbraw/zinc/30/51/47/1065305147.db2.gz JMFPVPAJJXEZAO-UNMCSNQZSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CC(C)(C)O ZINC001292589145 1065305367 /nfs/dbraw/zinc/30/53/67/1065305367.db2.gz IBLIHTHEKFFLNC-SFTDATJTSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC(C)(C)O ZINC001292592240 1065311053 /nfs/dbraw/zinc/31/10/53/1065311053.db2.gz WBEZADJBTPMMFW-TZIWHRDSSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292606604 1065331931 /nfs/dbraw/zinc/33/19/31/1065331931.db2.gz SBPYDAJRNHPYOL-CTNGQTDRSA-N 1 1 475.659 2.775 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292609855 1065337017 /nfs/dbraw/zinc/33/70/17/1065337017.db2.gz OXCKSRUAQGFRFI-IRLDBZIGSA-N 1 1 484.645 2.622 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001292610500 1065338631 /nfs/dbraw/zinc/33/86/31/1065338631.db2.gz SRPRLGPHUVRMIR-UHFFFAOYSA-N 1 1 475.659 2.917 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001292610500 1065338641 /nfs/dbraw/zinc/33/86/41/1065338641.db2.gz SRPRLGPHUVRMIR-UHFFFAOYSA-N 1 1 475.659 2.917 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+](C)[C@H](C)CC ZINC001292614214 1065343112 /nfs/dbraw/zinc/34/31/12/1065343112.db2.gz DWYPIISYVYMAKJ-UYAOXDASSA-N 1 1 456.591 2.791 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCSCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001292659352 1065394403 /nfs/dbraw/zinc/39/44/03/1065394403.db2.gz DBMMFWULNALDGY-KDURUIRLSA-N 1 1 457.644 2.976 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 ZINC001292662373 1065398292 /nfs/dbraw/zinc/39/82/92/1065398292.db2.gz SYQOTDHZRSFWRW-CALCHBBNSA-N 1 1 451.637 2.798 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001292676157 1065416178 /nfs/dbraw/zinc/41/61/78/1065416178.db2.gz CJGHYZUHXYMKQI-WZONZLPQSA-N 1 1 472.663 2.731 20 0 JFADMO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)o1 ZINC001292678058 1065416963 /nfs/dbraw/zinc/41/69/63/1065416963.db2.gz CBHMWGUYGTUHFO-HOTGVXAUSA-N 1 1 452.563 2.751 20 0 JFADMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001292705382 1065460975 /nfs/dbraw/zinc/46/09/75/1065460975.db2.gz DWGYKBRWKALDLH-UHFFFAOYSA-N 1 1 453.543 2.803 20 0 JFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)c1)C1CCOCC1 ZINC001292706703 1065461606 /nfs/dbraw/zinc/46/16/06/1065461606.db2.gz RUFNPHIPUCBJCO-HSZRJFAPSA-N 1 1 455.555 2.577 20 0 JFADMO CCc1nc(CCn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001292708877 1065463390 /nfs/dbraw/zinc/46/33/90/1065463390.db2.gz IJARPATXGWSSNC-UHFFFAOYSA-N 1 1 456.620 2.544 20 0 JFADMO CCc1nc(CCn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001292708877 1065463403 /nfs/dbraw/zinc/46/34/03/1065463403.db2.gz IJARPATXGWSSNC-UHFFFAOYSA-N 1 1 456.620 2.544 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292729548 1065490961 /nfs/dbraw/zinc/49/09/61/1065490961.db2.gz UCGVUAOSCKLFBZ-MSOLQXFVSA-N 1 1 480.704 2.956 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cccnc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001292729871 1065492617 /nfs/dbraw/zinc/49/26/17/1065492617.db2.gz YJSSXHQLFPDLNI-HXUWFJFHSA-N 1 1 482.658 2.938 20 0 JFADMO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001292768658 1065523507 /nfs/dbraw/zinc/52/35/07/1065523507.db2.gz DMTAPZSCNPYBJK-MOPGFXCFSA-N 1 1 493.100 2.784 20 0 JFADMO CCc1nnc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292787026 1065550025 /nfs/dbraw/zinc/55/00/25/1065550025.db2.gz ZFBVJINIZKIYHM-SFHVURJKSA-N 1 1 471.631 2.963 20 0 JFADMO CCc1nnc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)s1 ZINC001292790454 1065551378 /nfs/dbraw/zinc/55/13/78/1065551378.db2.gz HHNWBEOCWMRINQ-INIZCTEOSA-N 1 1 457.604 2.573 20 0 JFADMO Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001292792828 1065554004 /nfs/dbraw/zinc/55/40/04/1065554004.db2.gz XXSXCTBMROFCGC-UHFFFAOYSA-N 1 1 454.552 2.827 20 0 JFADMO Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001292792828 1065554012 /nfs/dbraw/zinc/55/40/12/1065554012.db2.gz XXSXCTBMROFCGC-UHFFFAOYSA-N 1 1 454.552 2.827 20 0 JFADMO CCc1nnc(Cn2c(CC)nnc2N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC001292796527 1065557069 /nfs/dbraw/zinc/55/70/69/1065557069.db2.gz QDFVIDGBFORJJA-UHFFFAOYSA-N 1 1 454.648 2.557 20 0 JFADMO CCc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292813119 1065563858 /nfs/dbraw/zinc/56/38/58/1065563858.db2.gz DIEOBUSXSIEFBK-ZCNNSNEGSA-N 1 1 456.639 2.624 20 0 JFADMO CCc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292862970 1065578316 /nfs/dbraw/zinc/57/83/16/1065578316.db2.gz DDQMRWXLNGKZQA-HXUWFJFHSA-N 1 1 462.664 2.684 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292876205 1065582235 /nfs/dbraw/zinc/58/22/35/1065582235.db2.gz OAVHUHTXPRGBAQ-GOSISDBHSA-N 1 1 453.591 2.873 20 0 JFADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)CC2)oc1C ZINC001292881703 1065584445 /nfs/dbraw/zinc/58/44/45/1065584445.db2.gz UKJNMEITEOZFHQ-UHFFFAOYSA-N 1 1 454.980 2.958 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892224 1065589158 /nfs/dbraw/zinc/58/91/58/1065589158.db2.gz AYZUGLYUNCJEFX-CHZKFRDHSA-N 1 1 468.646 2.517 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893121 1065592356 /nfs/dbraw/zinc/59/23/56/1065592356.db2.gz LFWNMNDSNAAIBB-SIKLNZKXSA-N 1 1 454.619 2.585 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C)cc1OC ZINC001292893122 1065592501 /nfs/dbraw/zinc/59/25/01/1065592501.db2.gz LFWNMNDSNAAIBB-UGKGYDQZSA-N 1 1 454.619 2.585 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893227 1065593557 /nfs/dbraw/zinc/59/35/57/1065593557.db2.gz MNVGJFVZPGNXEP-MJKJEIEMSA-N 1 1 460.667 2.815 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893416 1065593667 /nfs/dbraw/zinc/59/36/67/1065593667.db2.gz NQKZQAKGFPPPFG-WMZOPIPTSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893413 1065593761 /nfs/dbraw/zinc/59/37/61/1065593761.db2.gz NQKZQAKGFPPPFG-AEFFLSMTSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cc(C)ccc1OC(F)F ZINC001292893856 1065595529 /nfs/dbraw/zinc/59/55/29/1065595529.db2.gz SICSLPIMKRBKHU-PXNSSMCTSA-N 1 1 476.572 2.787 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900021 1065598144 /nfs/dbraw/zinc/59/81/44/1065598144.db2.gz RJVOQFNCGKKVGI-AEFFLSMTSA-N 1 1 468.524 2.576 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001292905435 1065598516 /nfs/dbraw/zinc/59/85/16/1065598516.db2.gz ASYSLMFDSPMLHD-RXVVDRJESA-N 1 1 473.618 2.656 20 0 JFADMO Cc1ccc(C)c(OCCCCC(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1 ZINC001292912477 1065603532 /nfs/dbraw/zinc/60/35/32/1065603532.db2.gz MBOLMYVHEZTKJS-UHFFFAOYSA-N 1 1 458.647 2.549 20 0 JFADMO CN(C(=O)CCSc1ccccc1Cl)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292913193 1065604345 /nfs/dbraw/zinc/60/43/45/1065604345.db2.gz WVBMOLISIYQVIV-UHFFFAOYSA-N 1 1 453.052 2.519 20 0 JFADMO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292924621 1065616825 /nfs/dbraw/zinc/61/68/25/1065616825.db2.gz YZBFIOVLDMDKTH-QFIPXVFZSA-N 1 1 473.710 2.589 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3=C(C)N(C)c4ncnn4[C@H]3C)CC2)c1C ZINC001292932382 1065621676 /nfs/dbraw/zinc/62/16/76/1065621676.db2.gz CNSYZCIKLAVZKB-SFHVURJKSA-N 1 1 453.591 2.706 20 0 JFADMO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292934151 1065624105 /nfs/dbraw/zinc/62/41/05/1065624105.db2.gz LFLBHCAZVXXWMH-QHCPKHFHSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292934151 1065624111 /nfs/dbraw/zinc/62/41/11/1065624111.db2.gz LFLBHCAZVXXWMH-QHCPKHFHSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292934151 1065624120 /nfs/dbraw/zinc/62/41/20/1065624120.db2.gz LFLBHCAZVXXWMH-QHCPKHFHSA-N 1 1 458.626 2.956 20 0 JFADMO CCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292961240 1065642158 /nfs/dbraw/zinc/64/21/58/1065642158.db2.gz BZOKOCGVUKTFDN-CEXWTWQISA-N 1 1 450.628 2.691 20 0 JFADMO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001292970319 1065650299 /nfs/dbraw/zinc/65/02/99/1065650299.db2.gz HIUNBYSMFUZSFP-LJQANCHMSA-N 1 1 462.664 2.611 20 0 JFADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCS(=O)(=O)c1ccccc1 ZINC001292979355 1065661385 /nfs/dbraw/zinc/66/13/85/1065661385.db2.gz RYXZPIKZSPXHLC-UHFFFAOYSA-N 1 1 488.702 2.699 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292980709 1065664538 /nfs/dbraw/zinc/66/45/38/1065664538.db2.gz XVPVMBHLQNJEKN-QFIPXVFZSA-N 1 1 469.634 2.988 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001292981364 1065665995 /nfs/dbraw/zinc/66/59/95/1065665995.db2.gz IGZGOTBKJPGDKS-NRFANRHFSA-N 1 1 470.618 2.824 20 0 JFADMO CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292986649 1065672414 /nfs/dbraw/zinc/67/24/14/1065672414.db2.gz NJKGYDACUSFHNO-DVECYGJZSA-N 1 1 450.624 2.617 20 0 JFADMO CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292986649 1065672425 /nfs/dbraw/zinc/67/24/25/1065672425.db2.gz NJKGYDACUSFHNO-DVECYGJZSA-N 1 1 450.624 2.617 20 0 JFADMO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292988350 1065675601 /nfs/dbraw/zinc/67/56/01/1065675601.db2.gz OQKMCWBOYOYTNS-UHFFFAOYSA-N 1 1 462.589 2.634 20 0 JFADMO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293032939 1065702056 /nfs/dbraw/zinc/70/20/56/1065702056.db2.gz GIBDLDFTQDQQGW-FGZHOGPDSA-N 1 1 468.646 2.988 20 0 JFADMO CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293044507 1065709478 /nfs/dbraw/zinc/70/94/78/1065709478.db2.gz KWPKSZNKTJZGGE-FGZHOGPDSA-N 1 1 453.635 2.864 20 0 JFADMO Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001293066020 1065717019 /nfs/dbraw/zinc/71/70/19/1065717019.db2.gz UPXRDTFXOIOEJP-UHFFFAOYSA-N 1 1 457.640 2.576 20 0 JFADMO C[N@@H+](CCN1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065598 1065717144 /nfs/dbraw/zinc/71/71/44/1065717144.db2.gz CLPJPSXOWKKOQE-HSZRJFAPSA-N 1 1 455.002 2.969 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cc(OC)nc2ccccc12 ZINC001293066278 1065717511 /nfs/dbraw/zinc/71/75/11/1065717511.db2.gz GFPAZHOMRPOUKF-UHFFFAOYSA-N 1 1 479.629 2.826 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cc(OC)nc2ccccc12 ZINC001293066278 1065717522 /nfs/dbraw/zinc/71/75/22/1065717522.db2.gz GFPAZHOMRPOUKF-UHFFFAOYSA-N 1 1 479.629 2.826 20 0 JFADMO CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001293068382 1065720110 /nfs/dbraw/zinc/72/01/10/1065720110.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 1 1 459.683 2.630 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001293069857 1065722850 /nfs/dbraw/zinc/72/28/50/1065722850.db2.gz BUARLRMEYQBJBI-UHFFFAOYSA-N 1 1 478.523 2.779 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293081197 1065730640 /nfs/dbraw/zinc/73/06/40/1065730640.db2.gz HBPFGOHJRAVVMV-HDICACEKSA-N 1 1 460.648 2.752 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082996 1065733168 /nfs/dbraw/zinc/73/31/68/1065733168.db2.gz CYORDHIJEPGLJV-KRWDZBQOSA-N 1 1 466.508 2.530 20 0 JFADMO CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293104513 1065752316 /nfs/dbraw/zinc/75/23/16/1065752316.db2.gz YEUIZZQSRDHKLM-HXUWFJFHSA-N 1 1 483.020 2.617 20 0 JFADMO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001293127244 1065778045 /nfs/dbraw/zinc/77/80/45/1065778045.db2.gz JKQYJXCRIRYRHV-NRFANRHFSA-N 1 1 475.037 2.700 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001293130525 1065781549 /nfs/dbraw/zinc/78/15/49/1065781549.db2.gz HVUFDGQTPUQYEI-WMTXJRDZSA-N 1 1 476.710 2.913 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137931 1065788374 /nfs/dbraw/zinc/78/83/74/1065788374.db2.gz RQGDIIFNSPPQRH-SFHVURJKSA-N 1 1 456.534 2.681 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001293138861 1065789279 /nfs/dbraw/zinc/78/92/79/1065789279.db2.gz KNIKKKSTJHIUDO-HXUWFJFHSA-N 1 1 460.648 2.534 20 0 JFADMO CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293177327 1065802322 /nfs/dbraw/zinc/80/23/22/1065802322.db2.gz IXXYWUJKAMIZQI-FGZHOGPDSA-N 1 1 489.709 2.998 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293188727 1065814170 /nfs/dbraw/zinc/81/41/70/1065814170.db2.gz NQBPVJYEAPKGOD-IBGZPJMESA-N 1 1 488.681 2.806 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293188727 1065814177 /nfs/dbraw/zinc/81/41/77/1065814177.db2.gz NQBPVJYEAPKGOD-IBGZPJMESA-N 1 1 488.681 2.806 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(Cc4ccncc4)n3CC[N@H+](C)[C@@H](C)CC)CC2)n1 ZINC001293208516 1065839919 /nfs/dbraw/zinc/83/99/19/1065839919.db2.gz PLYKATOXRIZOQO-SFHVURJKSA-N 1 1 469.663 2.735 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(CC)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001293208819 1065841022 /nfs/dbraw/zinc/84/10/22/1065841022.db2.gz SFDDXFPZEQLQQX-UHFFFAOYSA-N 1 1 458.611 2.852 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293216611 1065855289 /nfs/dbraw/zinc/85/52/89/1065855289.db2.gz JJUVPEWMVTWDOJ-VQQMMKBISA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293216768 1065855940 /nfs/dbraw/zinc/85/59/40/1065855940.db2.gz DFHFSLDOLWBLAB-GOSISDBHSA-N 1 1 491.434 2.533 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001293216768 1065855957 /nfs/dbraw/zinc/85/59/57/1065855957.db2.gz DFHFSLDOLWBLAB-GOSISDBHSA-N 1 1 491.434 2.533 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293218872 1065863824 /nfs/dbraw/zinc/86/38/24/1065863824.db2.gz PWNDQMTYZPTIGE-UNIVCBNLSA-N 1 1 484.645 2.554 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293218963 1065864393 /nfs/dbraw/zinc/86/43/93/1065864393.db2.gz SQJHTKVDFICQBD-RXVVDRJESA-N 1 1 454.619 2.678 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001293219935 1065868662 /nfs/dbraw/zinc/86/86/62/1065868662.db2.gz XXQCRGAPAFEMMK-TZMCWYRMSA-N 1 1 467.437 2.967 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293220519 1065871347 /nfs/dbraw/zinc/87/13/47/1065871347.db2.gz RTHSZBCEYRDOLH-YJBOKZPZSA-N 1 1 478.439 2.871 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001293226534 1065878920 /nfs/dbraw/zinc/87/89/20/1065878920.db2.gz AUPJHMJVRIWZFB-WOJBJXKFSA-N 1 1 470.618 2.940 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCCn1cc[nH+]c1C ZINC001293242099 1065902584 /nfs/dbraw/zinc/90/25/84/1065902584.db2.gz IZKHYYYZRIRRCM-OAQYLSRUSA-N 1 1 451.575 2.866 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293244064 1065907871 /nfs/dbraw/zinc/90/78/71/1065907871.db2.gz VIILAMVNJJREQF-GMAHTHKFSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293253091 1065917192 /nfs/dbraw/zinc/91/71/92/1065917192.db2.gz UNFUDWPNGFKVGU-CZGNIMDHSA-N 1 1 491.036 2.673 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293253032 1065917302 /nfs/dbraw/zinc/91/73/02/1065917302.db2.gz SYQKSKMQUGIAGZ-NHCUHLMSSA-N 1 1 468.650 2.968 20 0 JFADMO COc1c(N)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc(Cl)c1Br ZINC001293254647 1065918988 /nfs/dbraw/zinc/91/89/88/1065918988.db2.gz ROEBTXPQKDRAOJ-ZDUSSCGKSA-N 1 1 459.816 2.934 20 0 JFADMO COc1c(N)c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(Cl)c1Br ZINC001293254647 1065918994 /nfs/dbraw/zinc/91/89/94/1065918994.db2.gz ROEBTXPQKDRAOJ-ZDUSSCGKSA-N 1 1 459.816 2.934 20 0 JFADMO O=C(Cc1csc2ccc(Br)cc12)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001293280390 1065931725 /nfs/dbraw/zinc/93/17/25/1065931725.db2.gz DRNWWDIKEPGPMP-KRWDZBQOSA-N 1 1 452.418 2.729 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293301259 1065941732 /nfs/dbraw/zinc/94/17/32/1065941732.db2.gz JNYVZFUHCZBNTR-PZJWPPBQSA-N 1 1 488.702 2.999 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293316118 1065946065 /nfs/dbraw/zinc/94/60/65/1065946065.db2.gz OBHNAICQUIPZFU-FCEUIQTBSA-N 1 1 453.635 2.831 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001293320385 1065947507 /nfs/dbraw/zinc/94/75/07/1065947507.db2.gz HTQUSKTXINQCDA-PLACYPQZSA-N 1 1 496.722 2.746 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293330880 1065951944 /nfs/dbraw/zinc/95/19/44/1065951944.db2.gz FWVRMQOYNJWTLN-RBUKOAKNSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293330880 1065951953 /nfs/dbraw/zinc/95/19/53/1065951953.db2.gz FWVRMQOYNJWTLN-RBUKOAKNSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293330880 1065951959 /nfs/dbraw/zinc/95/19/59/1065951959.db2.gz FWVRMQOYNJWTLN-RBUKOAKNSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C ZINC001293337548 1065955024 /nfs/dbraw/zinc/95/50/24/1065955024.db2.gz YRXGPIIQUGMSRL-VQTJNVASSA-N 1 1 482.695 2.500 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc(S(N)(=O)=O)ccc2Br)[nH+]1 ZINC001293341518 1065956536 /nfs/dbraw/zinc/95/65/36/1065956536.db2.gz OHNKKVPTYATDAZ-ZDUSSCGKSA-N 1 1 453.362 2.517 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc(S(N)(=O)=O)ccc2Br)[nH+]1 ZINC001293341517 1065956574 /nfs/dbraw/zinc/95/65/74/1065956574.db2.gz OHNKKVPTYATDAZ-CYBMUJFWSA-N 1 1 453.362 2.517 20 0 JFADMO CN(CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350003 1065960127 /nfs/dbraw/zinc/96/01/27/1065960127.db2.gz LGHOFYOIVFVSCM-IBGZPJMESA-N 1 1 450.583 2.619 20 0 JFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352638 1065961072 /nfs/dbraw/zinc/96/10/72/1065961072.db2.gz YBFSTDDQJIHYSB-RTBURBONSA-N 1 1 452.640 2.909 20 0 JFADMO CC[C@@H]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CCOC)CC1 ZINC001293355517 1065962363 /nfs/dbraw/zinc/96/23/63/1065962363.db2.gz GHQCCYBSFKGCAH-MOPGFXCFSA-N 1 1 460.648 2.864 20 0 JFADMO CC[C@@H]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CCOC)CC1 ZINC001293355520 1065962502 /nfs/dbraw/zinc/96/25/02/1065962502.db2.gz GHQCCYBSFKGCAH-RTBURBONSA-N 1 1 460.648 2.864 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293358441 1065963550 /nfs/dbraw/zinc/96/35/50/1065963550.db2.gz GSENXMQCMJDPRW-LJQANCHMSA-N 1 1 477.654 2.738 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001293361339 1065964996 /nfs/dbraw/zinc/96/49/96/1065964996.db2.gz VAFYBYNXKZAZHG-IBGZPJMESA-N 1 1 474.679 2.854 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361470 1065965681 /nfs/dbraw/zinc/96/56/81/1065965681.db2.gz AIVGBUWAIKTMLP-JYLXEMOASA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293362093 1065965982 /nfs/dbraw/zinc/96/59/82/1065965982.db2.gz CUSXBDQGEGQQGU-KNKQGSTJSA-N 1 1 470.684 2.548 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001293365207 1065970060 /nfs/dbraw/zinc/97/00/60/1065970060.db2.gz SBTZZQOHDZEKEQ-UXHICEINSA-N 1 1 461.010 2.814 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001293365631 1065970911 /nfs/dbraw/zinc/97/09/11/1065970911.db2.gz NZIURAPEQQJKHF-OAQYLSRUSA-N 1 1 454.619 2.813 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C ZINC001293366605 1065971510 /nfs/dbraw/zinc/97/15/10/1065971510.db2.gz WUTCCDUVDVAVOK-FQEVSTJZSA-N 1 1 470.618 2.942 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368941 1065972017 /nfs/dbraw/zinc/97/20/17/1065972017.db2.gz AIBPKJVNVRDKFI-IAGOWNOFSA-N 1 1 482.555 2.882 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001293369513 1065973083 /nfs/dbraw/zinc/97/30/83/1065973083.db2.gz HJJBNNMJZBJUGC-LEUBFCFVSA-N 1 1 472.659 2.868 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 ZINC001293369568 1065973315 /nfs/dbraw/zinc/97/33/15/1065973315.db2.gz IELQRVUGWJPXOT-NJDAHSKKSA-N 1 1 482.695 2.502 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 ZINC001293369569 1065973366 /nfs/dbraw/zinc/97/33/66/1065973366.db2.gz IELQRVUGWJPXOT-NJYVYQBISA-N 1 1 482.695 2.502 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 ZINC001293369570 1065973427 /nfs/dbraw/zinc/97/34/27/1065973427.db2.gz IELQRVUGWJPXOT-PWRODBHTSA-N 1 1 482.695 2.502 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001293371278 1065974062 /nfs/dbraw/zinc/97/40/62/1065974062.db2.gz DSUMSYRTZGTLDU-VQTJNVASSA-N 1 1 480.704 2.912 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293371361 1065974384 /nfs/dbraw/zinc/97/43/84/1065974384.db2.gz FINOHJTWYIJSNU-GMAHTHKFSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293371359 1065974506 /nfs/dbraw/zinc/97/45/06/1065974506.db2.gz FINOHJTWYIJSNU-FYYLOGMGSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293371362 1065974617 /nfs/dbraw/zinc/97/46/17/1065974617.db2.gz FINOHJTWYIJSNU-JTHBVZDNSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001293371580 1065974636 /nfs/dbraw/zinc/97/46/36/1065974636.db2.gz NFGFFOBSZFNPFJ-RBUKOAKNSA-N 1 1 454.685 2.601 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372253 1065975543 /nfs/dbraw/zinc/97/55/43/1065975543.db2.gz JCFCGPHTONSTMW-SFTDATJTSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372995 1065976412 /nfs/dbraw/zinc/97/64/12/1065976412.db2.gz LVXFWGTXQJGTPA-NHCUHLMSSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373042 1065976459 /nfs/dbraw/zinc/97/64/59/1065976459.db2.gz MGYVEQLCHGPMNJ-GMAHTHKFSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001293372974 1065976506 /nfs/dbraw/zinc/97/65/06/1065976506.db2.gz LKXMFFIRIFFXFV-OAQYLSRUSA-N 1 1 454.619 2.615 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374260 1065980229 /nfs/dbraw/zinc/98/02/29/1065980229.db2.gz VLZSQFZDCRBDIC-GOTSBHOMSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293375099 1065981225 /nfs/dbraw/zinc/98/12/25/1065981225.db2.gz ZYMZNMVIFLEKHO-TXTKFYIRSA-N 1 1 467.680 2.840 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001293377381 1065981774 /nfs/dbraw/zinc/98/17/74/1065981774.db2.gz TZJWEOCSUWGYOT-IHPCNDPISA-N 1 1 451.612 2.581 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293378782 1065982599 /nfs/dbraw/zinc/98/25/99/1065982599.db2.gz LUDRTQYDLIFUCY-CBPXPLCBSA-N 1 1 497.706 2.670 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293379840 1065984600 /nfs/dbraw/zinc/98/46/00/1065984600.db2.gz UYJMEPBUMAWCQP-OALUTQOASA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001293380525 1065984946 /nfs/dbraw/zinc/98/49/46/1065984946.db2.gz ZQZSOWPYXIAGCG-OAQYLSRUSA-N 1 1 470.618 2.799 20 0 JFADMO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001293386243 1065986863 /nfs/dbraw/zinc/98/68/63/1065986863.db2.gz LOYGWGHBXCGIRF-GGAORHGYSA-N 1 1 450.583 2.883 20 0 JFADMO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001293386243 1065986876 /nfs/dbraw/zinc/98/68/76/1065986876.db2.gz LOYGWGHBXCGIRF-GGAORHGYSA-N 1 1 450.583 2.883 20 0 JFADMO CC[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293388145 1065989376 /nfs/dbraw/zinc/98/93/76/1065989376.db2.gz XJFQKVGGXMUZFN-UXHICEINSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293388145 1065989386 /nfs/dbraw/zinc/98/93/86/1065989386.db2.gz XJFQKVGGXMUZFN-UXHICEINSA-N 1 1 490.674 2.543 20 0 JFADMO COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)c2)cc1 ZINC001293475009 1066018484 /nfs/dbraw/zinc/01/84/84/1066018484.db2.gz KPZNLMJEDQPNDH-SFHVURJKSA-N 1 1 454.552 2.880 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)CCOC)C1 ZINC001293482020 1066020265 /nfs/dbraw/zinc/02/02/65/1066020265.db2.gz BPWBCMGTNRMGFT-UXHICEINSA-N 1 1 480.654 2.791 20 0 JFADMO CC1CCC([NH+]2CCN(C(=O)C3([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001293497179 1066026436 /nfs/dbraw/zinc/02/64/36/1066026436.db2.gz ZOOPZPMWCQCSGI-ZBFIVTNSSA-N 1 1 455.665 2.858 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC[N@H+]1CCOC ZINC001293506697 1066030759 /nfs/dbraw/zinc/03/07/59/1066030759.db2.gz FQVSGXSBCQMNCP-JOCHJYFZSA-N 1 1 484.645 2.757 20 0 JFADMO CC[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCOC)C1 ZINC001293508925 1066033073 /nfs/dbraw/zinc/03/30/73/1066033073.db2.gz WVFQOGMQTCNJKW-GBESFXJTSA-N 1 1 450.628 2.863 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)C[C@@H]1[NH+]1CCOCC1 ZINC001293510120 1066035071 /nfs/dbraw/zinc/03/50/71/1066035071.db2.gz PUIZLDODCCGPKD-OALUTQOASA-N 1 1 460.648 2.576 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC001293510137 1066035400 /nfs/dbraw/zinc/03/54/00/1066035400.db2.gz QCTMWRMADSQFBL-APWZRJJASA-N 1 1 494.562 2.623 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)C[C@H]1[NH+]1CCOCC1 ZINC001293510139 1066035609 /nfs/dbraw/zinc/03/56/09/1066035609.db2.gz QCTMWRMADSQFBL-QFBILLFUSA-N 1 1 494.562 2.623 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC001293510635 1066036210 /nfs/dbraw/zinc/03/62/10/1066036210.db2.gz UBDDDJNMSZLFFY-GHTZIAJQSA-N 1 1 475.037 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293519688 1066041357 /nfs/dbraw/zinc/04/13/57/1066041357.db2.gz ZMEQKBCPPKDIAC-SJLPKXTDSA-N 1 1 466.428 2.608 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001293523000 1066044438 /nfs/dbraw/zinc/04/44/38/1066044438.db2.gz HJNRVRJTSRXAKQ-IEBWSBKVSA-N 1 1 489.024 2.795 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001293536788 1066054018 /nfs/dbraw/zinc/05/40/18/1066054018.db2.gz FPNQEDPAGYRQOT-KRWDZBQOSA-N 1 1 491.438 2.673 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001293537238 1066054331 /nfs/dbraw/zinc/05/43/31/1066054331.db2.gz IUIROEIEZKLFTG-ZWKOTPCHSA-N 1 1 481.439 2.888 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC[N@H+]1CCOC ZINC001293537502 1066054773 /nfs/dbraw/zinc/05/47/73/1066054773.db2.gz NFWQPLDYKDVWHC-SFHVURJKSA-N 1 1 491.438 2.847 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293537865 1066055036 /nfs/dbraw/zinc/05/50/36/1066055036.db2.gz TULCEGJKXFXGTP-AEFFLSMTSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293549275 1066065334 /nfs/dbraw/zinc/06/53/34/1066065334.db2.gz JKWDBKXVJXXKLV-XLIONFOSSA-N 1 1 475.037 2.918 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293552405 1066067558 /nfs/dbraw/zinc/06/75/58/1066067558.db2.gz NTPXMJBHLDDZMZ-ZWKOTPCHSA-N 1 1 467.973 2.700 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@@H]1N1CCOCC1 ZINC001293553598 1066068255 /nfs/dbraw/zinc/06/82/55/1066068255.db2.gz QWYFXHNLWALGLF-AVRDEDQJSA-N 1 1 495.043 2.863 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](CC)C1 ZINC001293555111 1066069072 /nfs/dbraw/zinc/06/90/72/1066069072.db2.gz IRYQISWKEFWGCC-FXAWDEMLSA-N 1 1 455.636 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293556056 1066070062 /nfs/dbraw/zinc/07/00/62/1066070062.db2.gz GGAXXHGGEMZQCN-UGKGYDQZSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001293556006 1066070157 /nfs/dbraw/zinc/07/01/57/1066070157.db2.gz ZJHDVUWWFRNLSF-SLFFLAALSA-N 1 1 494.036 2.694 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)COC)C[C@H]1[NH+]1CCOCC1 ZINC001293557903 1066071704 /nfs/dbraw/zinc/07/17/04/1066071704.db2.gz PKKWGQZNQFMAAZ-WOIUINJBSA-N 1 1 473.618 2.792 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001293559231 1066073373 /nfs/dbraw/zinc/07/33/73/1066073373.db2.gz WACNFRFZSZSVQB-FQEVSTJZSA-N 1 1 479.629 2.813 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)C)CC[N@H+]1CCOC ZINC001293559919 1066074778 /nfs/dbraw/zinc/07/47/78/1066074778.db2.gz GNPQIKIJNOVXCS-OAQYLSRUSA-N 1 1 479.629 2.813 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001293560324 1066075277 /nfs/dbraw/zinc/07/52/77/1066075277.db2.gz JEIJEMKZENBGDH-ZEQRLZLVSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC[N@H+]1CCOC ZINC001293560324 1066075287 /nfs/dbraw/zinc/07/52/87/1066075287.db2.gz JEIJEMKZENBGDH-ZEQRLZLVSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293562580 1066075821 /nfs/dbraw/zinc/07/58/21/1066075821.db2.gz VFGWTTFEQOXRRS-URXFXBBRSA-N 1 1 458.676 2.929 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001293563440 1066076696 /nfs/dbraw/zinc/07/66/96/1066076696.db2.gz AKVNYRMEOWRBBK-QFIPXVFZSA-N 1 1 470.662 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001293566137 1066078406 /nfs/dbraw/zinc/07/84/06/1066078406.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293566137 1066078415 /nfs/dbraw/zinc/07/84/15/1066078415.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001293566140 1066078465 /nfs/dbraw/zinc/07/84/65/1066078465.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293566140 1066078475 /nfs/dbraw/zinc/07/84/75/1066078475.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@H+]1CCOC ZINC001293567671 1066080544 /nfs/dbraw/zinc/08/05/44/1066080544.db2.gz KGVKISQBODNEEN-JOCHJYFZSA-N 1 1 463.586 2.894 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293571286 1066083617 /nfs/dbraw/zinc/08/36/17/1066083617.db2.gz JBZWGCPSZTWBMT-MJGOQNOKSA-N 1 1 450.534 2.559 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC[N@H+]1CCOC ZINC001293574589 1066085440 /nfs/dbraw/zinc/08/54/40/1066085440.db2.gz FYVJVOITISSTTP-JOCHJYFZSA-N 1 1 467.618 2.785 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001293576524 1066087046 /nfs/dbraw/zinc/08/70/46/1066087046.db2.gz ALACXAOIBHOPGU-GBESFXJTSA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN(C)CC(F)(F)F)CC[N@H+]1CCOC ZINC001293577094 1066087352 /nfs/dbraw/zinc/08/73/52/1066087352.db2.gz DCVOKBMMONIRIQ-GOSISDBHSA-N 1 1 469.556 2.690 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293577577 1066087648 /nfs/dbraw/zinc/08/76/48/1066087648.db2.gz FVDIXOMDLFSEFT-BVFVYWQFSA-N 1 1 499.660 2.845 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293578479 1066088938 /nfs/dbraw/zinc/08/89/38/1066088938.db2.gz JNWHMRAAHOBJLO-PSTIOWGYSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293578479 1066088949 /nfs/dbraw/zinc/08/89/49/1066088949.db2.gz JNWHMRAAHOBJLO-PSTIOWGYSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293585518 1066094216 /nfs/dbraw/zinc/09/42/16/1066094216.db2.gz QTZWWILZBNEDOV-KCZVDYSFSA-N 1 1 470.618 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293587998 1066096208 /nfs/dbraw/zinc/09/62/08/1066096208.db2.gz SLSJXCAKJPLBLW-GFTAFNIFSA-N 1 1 492.665 2.716 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCN1CCOC ZINC001293592704 1066098592 /nfs/dbraw/zinc/09/85/92/1066098592.db2.gz CVWYRDJZDHJFHG-YMPZKCBVSA-N 1 1 474.625 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001293593978 1066100579 /nfs/dbraw/zinc/10/05/79/1066100579.db2.gz IXMLWBWSCGRDHN-NTKDMRAZSA-N 1 1 494.706 2.791 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293595221 1066103652 /nfs/dbraw/zinc/10/36/52/1066103652.db2.gz NSWAQLZRIHUANU-PWHSHALESA-N 1 1 463.648 2.688 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1CCOC ZINC001293596139 1066107139 /nfs/dbraw/zinc/10/71/39/1066107139.db2.gz QITGGNRMMXPINJ-FYYLOGMGSA-N 1 1 499.660 2.861 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(COC)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293596827 1066108567 /nfs/dbraw/zinc/10/85/67/1066108567.db2.gz GNZLKSUZOYVFCL-SFTDATJTSA-N 1 1 463.667 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293600363 1066116766 /nfs/dbraw/zinc/11/67/66/1066116766.db2.gz HJMFIJKRNQIPQQ-UNMCSNQZSA-N 1 1 489.686 2.866 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Cl)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293602847 1066118965 /nfs/dbraw/zinc/11/89/65/1066118965.db2.gz PFVYELOYMXEQPA-HKUYNNGSSA-N 1 1 450.031 2.964 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC[N@@H+]1CCOC ZINC001293611515 1066127025 /nfs/dbraw/zinc/12/70/25/1066127025.db2.gz XZICGEQLAXSYDH-MQFAKOPTSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC[N@H+]1CCOC ZINC001293611515 1066127028 /nfs/dbraw/zinc/12/70/28/1066127028.db2.gz XZICGEQLAXSYDH-MQFAKOPTSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293612237 1066127436 /nfs/dbraw/zinc/12/74/36/1066127436.db2.gz KRNBWXXBUDRMOT-QHCPKHFHSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2csc(C)n2)CC[N@H+]1CCOC ZINC001293613004 1066129603 /nfs/dbraw/zinc/12/96/03/1066129603.db2.gz UDQWSHRMSDQGCN-NRFANRHFSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293616768 1066133254 /nfs/dbraw/zinc/13/32/54/1066133254.db2.gz NTIAITHWENQBOE-JYFHCDHNSA-N 1 1 464.614 2.719 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)(C)C)CC[N@H+]1CCOC ZINC001293619508 1066135908 /nfs/dbraw/zinc/13/59/08/1066135908.db2.gz BUQCZOPDSNFIAB-NRFANRHFSA-N 1 1 469.634 2.879 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293621199 1066137802 /nfs/dbraw/zinc/13/78/02/1066137802.db2.gz BPDFKGSGOLDKLA-LJQANCHMSA-N 1 1 462.664 2.640 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293623207 1066139514 /nfs/dbraw/zinc/13/95/14/1066139514.db2.gz NZVKCMOKQPJYMT-OALUTQOASA-N 1 1 498.619 2.938 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001293624790 1066140135 /nfs/dbraw/zinc/14/01/35/1066140135.db2.gz ZMNGZZPTQTWLMC-NRFANRHFSA-N 1 1 461.680 2.523 20 0 JFADMO CC[C@H]1CN(c2nnc(CCc3ccccc3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293626569 1066141473 /nfs/dbraw/zinc/14/14/73/1066141473.db2.gz KJSJRCLEKFOIJS-FQEVSTJZSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293626571 1066141506 /nfs/dbraw/zinc/14/15/06/1066141506.db2.gz KJSJRCLEKFOIJS-HXUWFJFHSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)SC)C[C@H]1[NH+]1CCOCC1 ZINC001293633299 1066148087 /nfs/dbraw/zinc/14/80/87/1066148087.db2.gz ZEQRLESQMIIKIY-WOJBJXKFSA-N 1 1 478.707 2.869 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](SC)C(C)(C)C)CC[N@H+]1CCOC ZINC001293633382 1066148695 /nfs/dbraw/zinc/14/86/95/1066148695.db2.gz ZXGQXUYIPFMRLD-RBUKOAKNSA-N 1 1 466.696 2.725 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293636189 1066153371 /nfs/dbraw/zinc/15/33/71/1066153371.db2.gz AIKXPBKDRUHTEG-GJZUVCINSA-N 1 1 487.645 2.826 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293636187 1066153398 /nfs/dbraw/zinc/15/33/98/1066153398.db2.gz AIKXPBKDRUHTEG-ATIYNZHBSA-N 1 1 487.645 2.826 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293636300 1066153791 /nfs/dbraw/zinc/15/37/91/1066153791.db2.gz SSLGHFUAFYINOH-VAMGGRTRSA-N 1 1 490.674 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293636558 1066154220 /nfs/dbraw/zinc/15/42/20/1066154220.db2.gz DGZUVNSXWRIQLQ-HYBUGGRVSA-N 1 1 475.659 2.581 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCC2)CC[N@H+]1CCOC ZINC001293641999 1066158177 /nfs/dbraw/zinc/15/81/77/1066158177.db2.gz ZINBVLAPVORNKW-OAQYLSRUSA-N 1 1 457.619 2.936 20 0 JFADMO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnnn2C)CC[N@H+]1CCOC ZINC001293645261 1066160545 /nfs/dbraw/zinc/16/05/45/1066160545.db2.gz SWSGHGSLUUWRMM-IBGZPJMESA-N 1 1 470.647 2.603 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)on2)CC[N@H+]1CCOC ZINC001293645715 1066161392 /nfs/dbraw/zinc/16/13/92/1066161392.db2.gz YIJFHKJGPISCPO-FQEVSTJZSA-N 1 1 458.538 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293651587 1066163600 /nfs/dbraw/zinc/16/36/00/1066163600.db2.gz MMJJGLQNTXEWOU-YLJYHZDGSA-N 1 1 493.077 2.907 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1CCOC ZINC001293651932 1066164076 /nfs/dbraw/zinc/16/40/76/1066164076.db2.gz HFNDGHMKLYXOBH-VQTJNVASSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293652520 1066164648 /nfs/dbraw/zinc/16/46/48/1066164648.db2.gz PQDAIKBNYDKJSJ-ZZLPTCMGSA-N 1 1 490.693 2.658 20 0 JFADMO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)ccc2Cl)C[C@@H](C)O1 ZINC001293652585 1066165036 /nfs/dbraw/zinc/16/50/36/1066165036.db2.gz ZNTABHRRKPFJKV-ZACQAIPSSA-N 1 1 458.024 2.552 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)C[C@H]1[NH+]1CCOCC1 ZINC001293653793 1066166395 /nfs/dbraw/zinc/16/63/95/1066166395.db2.gz QMGJOPIAADEPHP-RRFJBIMHSA-N 1 1 464.355 2.664 20 0 JFADMO CC/C=C\Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[NH+](CCOCC)CC1 ZINC001293694626 1066176126 /nfs/dbraw/zinc/17/61/26/1066176126.db2.gz NHIOZPFTNJJGDH-YFHOEESVSA-N 1 1 465.602 2.800 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001293735330 1066192768 /nfs/dbraw/zinc/19/27/68/1066192768.db2.gz CMKYERFHVMEDPH-QFIPXVFZSA-N 1 1 481.645 2.531 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001293744476 1066213071 /nfs/dbraw/zinc/21/30/71/1066213071.db2.gz ZXLRVPDZULBPNW-IEBWSBKVSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001293748830 1066220805 /nfs/dbraw/zinc/22/08/05/1066220805.db2.gz AERIHQAVURMFGW-YADHBBJMSA-N 1 1 481.645 2.614 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001293766261 1066255386 /nfs/dbraw/zinc/25/53/86/1066255386.db2.gz ICJVGEUUUPLAPY-UHFFFAOYSA-N 1 1 467.662 2.858 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001293780174 1066275049 /nfs/dbraw/zinc/27/50/49/1066275049.db2.gz VFAFPEMBQJMCBY-QFIPXVFZSA-N 1 1 470.666 2.899 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293786974 1066290907 /nfs/dbraw/zinc/29/09/07/1066290907.db2.gz OQMIBKGRESHGPX-SFTDATJTSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293786974 1066290919 /nfs/dbraw/zinc/29/09/19/1066290919.db2.gz OQMIBKGRESHGPX-SFTDATJTSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001293787520 1066292678 /nfs/dbraw/zinc/29/26/78/1066292678.db2.gz COPUETIKIFWAJL-HKBOAZHASA-N 1 1 473.666 2.626 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001293787958 1066294623 /nfs/dbraw/zinc/29/46/23/1066294623.db2.gz FFOQTGCAAGVXGV-QHAWAJNXSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293804350 1066313569 /nfs/dbraw/zinc/31/35/69/1066313569.db2.gz BIOIRQNHERGLEL-WMZHIEFXSA-N 1 1 462.042 2.761 20 0 JFADMO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818874 1066326730 /nfs/dbraw/zinc/32/67/30/1066326730.db2.gz ASPTXHOAKTXYCX-WPWBMXPQSA-N 1 1 460.667 2.866 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293821787 1066329545 /nfs/dbraw/zinc/32/95/45/1066329545.db2.gz VODUJEIXLIPKRN-YKSBVNFPSA-N 1 1 458.582 2.632 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001293824589 1066333352 /nfs/dbraw/zinc/33/33/52/1066333352.db2.gz XSIFVFPXSCEMRK-NLFFAJNJSA-N 1 1 473.618 2.673 20 0 JFADMO CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293824950 1066333459 /nfs/dbraw/zinc/33/34/59/1066333459.db2.gz YJBIMMKSICNDQS-CLOONOSVSA-N 1 1 476.616 2.914 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293850199 1066355543 /nfs/dbraw/zinc/35/55/43/1066355543.db2.gz NTRNNHIZESICGX-SFTDATJTSA-N 1 1 454.619 2.656 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001293852618 1066358595 /nfs/dbraw/zinc/35/85/95/1066358595.db2.gz YBCQPFUECKTMMR-MHECFPHRSA-N 1 1 490.052 2.847 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001293865420 1066375764 /nfs/dbraw/zinc/37/57/64/1066375764.db2.gz UEMHULIMDZUVMV-FUDKSRODSA-N 1 1 495.672 2.882 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001293868643 1066381482 /nfs/dbraw/zinc/38/14/82/1066381482.db2.gz PKWQFRZHJQMGBL-LEWJYISDSA-N 1 1 483.661 2.506 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293910981 1066397569 /nfs/dbraw/zinc/39/75/69/1066397569.db2.gz REEYOCGAWIFHOY-RTBURBONSA-N 1 1 467.618 2.785 20 0 JFADMO C[C@H](CNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[NH+]1CCOCC1 ZINC001293932182 1066412165 /nfs/dbraw/zinc/41/21/65/1066412165.db2.gz GUVHRQARKIWKIX-CQSZACIVSA-N 1 1 450.630 2.593 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293934463 1066415819 /nfs/dbraw/zinc/41/58/19/1066415819.db2.gz XZXYBCORMBPTIB-RTWAWAEBSA-N 1 1 487.693 2.910 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945634 1066438259 /nfs/dbraw/zinc/43/82/59/1066438259.db2.gz RDHACSSYXCKFDU-GMAHTHKFSA-N 1 1 482.677 2.715 20 0 JFADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981794 1066485974 /nfs/dbraw/zinc/48/59/74/1066485974.db2.gz JOSCWCNPUBLNHS-IBGZPJMESA-N 1 1 454.283 2.797 20 0 JFADMO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001293990940 1066493638 /nfs/dbraw/zinc/49/36/38/1066493638.db2.gz BDDSZXUTANHOMI-OALUTQOASA-N 1 1 455.607 2.930 20 0 JFADMO CCC[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001293991158 1066494411 /nfs/dbraw/zinc/49/44/11/1066494411.db2.gz HDRYBLJFFSTGAU-QKNQBKEWSA-N 1 1 461.582 2.968 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001294025852 1066513302 /nfs/dbraw/zinc/51/33/02/1066513302.db2.gz UVQDBBYUVXLOGL-NRFANRHFSA-N 1 1 457.596 2.538 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001294054492 1066526239 /nfs/dbraw/zinc/52/62/39/1066526239.db2.gz IBEAHHLLDVBGME-FQEVSTJZSA-N 1 1 460.648 2.869 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC[N@H+]1CCOC ZINC001294054856 1066527538 /nfs/dbraw/zinc/52/75/38/1066527538.db2.gz PAZWCTZHBIREOV-IBGZPJMESA-N 1 1 464.561 2.680 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001294055661 1066529233 /nfs/dbraw/zinc/52/92/33/1066529233.db2.gz FHESTTHUBPTAIH-OPJGWUQDSA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@H+]1CCOC ZINC001294059400 1066531921 /nfs/dbraw/zinc/53/19/21/1066531921.db2.gz YDSCICKWDQGBDT-IQNGYNMSSA-N 1 1 484.711 2.823 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@H+]1CCOC ZINC001294059399 1066531967 /nfs/dbraw/zinc/53/19/67/1066531967.db2.gz YDSCICKWDQGBDT-ADEKHHIBSA-N 1 1 484.711 2.823 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294065674 1066536145 /nfs/dbraw/zinc/53/61/45/1066536145.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 1 1 456.635 2.603 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CC[N@H+]1CCOC ZINC001294066816 1066536780 /nfs/dbraw/zinc/53/67/80/1066536780.db2.gz FDYQYWOWEHBJPL-FQEVSTJZSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC[N@H+]1CCOC ZINC001294072593 1066541653 /nfs/dbraw/zinc/54/16/53/1066541653.db2.gz HCUUYLNZYMLARA-DVECYGJZSA-N 1 1 454.575 2.778 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001294073091 1066542069 /nfs/dbraw/zinc/54/20/69/1066542069.db2.gz JQWOJRDOPQOUHY-OAQYLSRUSA-N 1 1 464.618 2.787 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CC[N@H+]1CCOC ZINC001294074522 1066543351 /nfs/dbraw/zinc/54/33/51/1066543351.db2.gz RZNIVLAHYOHKFT-GOSISDBHSA-N 1 1 456.570 2.681 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC[N@H+]1CCOC ZINC001294074549 1066543688 /nfs/dbraw/zinc/54/36/88/1066543688.db2.gz SJFSOTMUUYWXQE-OAQYLSRUSA-N 1 1 469.634 2.726 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC001294075507 1066544110 /nfs/dbraw/zinc/54/41/10/1066544110.db2.gz ADWOLNQBLPTJHJ-TUNNFDKTSA-N 1 1 457.623 2.733 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001294075287 1066544258 /nfs/dbraw/zinc/54/42/58/1066544258.db2.gz ZUHYQYFOXYRJJM-IBGZPJMESA-N 1 1 461.010 2.768 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CC[N@H+]1CCOC ZINC001294077391 1066546343 /nfs/dbraw/zinc/54/63/43/1066546343.db2.gz OKLCAWACZCXYDB-GOSISDBHSA-N 1 1 456.620 2.680 20 0 JFADMO CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294080189 1066548733 /nfs/dbraw/zinc/54/87/33/1066548733.db2.gz COKZGOSHHSHSRN-MJGOQNOKSA-N 1 1 458.573 2.977 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001294082194 1066550890 /nfs/dbraw/zinc/55/08/90/1066550890.db2.gz QOZCWNCBYRFYCR-PMACEKPBSA-N 1 1 467.680 2.631 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001294082375 1066551297 /nfs/dbraw/zinc/55/12/97/1066551297.db2.gz QVSKTYLEGRRZHF-DNRQZRRGSA-N 1 1 475.634 2.837 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@H+]1CCOC ZINC001294082599 1066551958 /nfs/dbraw/zinc/55/19/58/1066551958.db2.gz MDXWMIUJKILHKV-HZPDHXFCSA-N 1 1 460.545 2.755 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001294084751 1066554046 /nfs/dbraw/zinc/55/40/46/1066554046.db2.gz AMUATIWNKHOHGC-ILWGZMRPSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001294084751 1066554058 /nfs/dbraw/zinc/55/40/58/1066554058.db2.gz AMUATIWNKHOHGC-ILWGZMRPSA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001294090906 1066561443 /nfs/dbraw/zinc/56/14/43/1066561443.db2.gz IXKKXXMADGBJPL-QHCPKHFHSA-N 1 1 471.646 2.656 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)ccc2C)cc1 ZINC001294091686 1066562144 /nfs/dbraw/zinc/56/21/44/1066562144.db2.gz WRNSOMLSUWFWAE-HXUWFJFHSA-N 1 1 457.596 2.899 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294091920 1066562683 /nfs/dbraw/zinc/56/26/83/1066562683.db2.gz PYVUWKOTKAESOR-PMACEKPBSA-N 1 1 464.561 2.625 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092054 1066563033 /nfs/dbraw/zinc/56/30/33/1066563033.db2.gz SVSBUKKJVBJAPL-FYYLOGMGSA-N 1 1 486.636 2.956 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294092217 1066563091 /nfs/dbraw/zinc/56/30/91/1066563091.db2.gz UVZDTXUJGGLALM-KOSHJBKYSA-N 1 1 495.640 2.952 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1CN1CC[C@@H](CO)C1 ZINC001164423056 718944339 /nfs/dbraw/zinc/94/43/39/718944339.db2.gz DAPFWTLWYYVKMW-ZHRMCQFGSA-N 1 1 463.626 2.956 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1CN1CC[C@@H](CO)C1 ZINC001164423048 718944407 /nfs/dbraw/zinc/94/44/07/718944407.db2.gz DAPFWTLWYYVKMW-JLGINSKQSA-N 1 1 463.626 2.956 20 0 JFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430393 718956474 /nfs/dbraw/zinc/95/64/74/718956474.db2.gz UDOCOQWAPRACHB-CPJSRVTESA-N 1 1 485.032 2.838 20 0 JFADMO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCn4c(C)[nH+]cc4C3)c2c1C ZINC001164438999 718990053 /nfs/dbraw/zinc/99/00/53/718990053.db2.gz AIURMUFAEXJHDM-UHFFFAOYSA-N 1 1 456.572 2.534 20 0 JFADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164615715 719006050 /nfs/dbraw/zinc/00/60/50/719006050.db2.gz IYTMNRMNZHZJQP-UHFFFAOYSA-N 1 1 467.599 2.954 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccn4)nc4sccc43)CC2)C1=O ZINC001164644514 719283207 /nfs/dbraw/zinc/28/32/07/719283207.db2.gz MQTGVQVBNDMBDW-UHFFFAOYSA-N 1 1 452.584 2.513 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccn4)nc4sccc43)CC2)C1=O ZINC001164644514 719283211 /nfs/dbraw/zinc/28/32/11/719283211.db2.gz MQTGVQVBNDMBDW-UHFFFAOYSA-N 1 1 452.584 2.513 20 0 JFADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@H+]4CC[C@@H](CO)C4)C[C@@H]3O2)n1 ZINC001164648144 719300028 /nfs/dbraw/zinc/30/00/28/719300028.db2.gz FTNYLNMEDAGGLY-KSCDAYEDSA-N 1 1 498.628 2.928 20 0 JFADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164658959 719354765 /nfs/dbraw/zinc/35/47/65/719354765.db2.gz NETKQWCCMWCKGT-UHFFFAOYSA-N 1 1 472.641 2.923 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@@H](F)Oc4ccnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164663855 719356486 /nfs/dbraw/zinc/35/64/86/719356486.db2.gz HUNAVHRUEXVRIX-CTNGQTDRSA-N 1 1 450.946 2.842 20 0 JFADMO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)n1 ZINC001164662942 719356615 /nfs/dbraw/zinc/35/66/15/719356615.db2.gz AYMDJIVFSRHHIQ-HXUWFJFHSA-N 1 1 467.952 2.963 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)C2)cc[nH+]1 ZINC001164664611 719357196 /nfs/dbraw/zinc/35/71/96/719357196.db2.gz PEAIOTAWIFWXLG-IBGZPJMESA-N 1 1 485.992 2.943 20 0 JFADMO CN1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667818 719426927 /nfs/dbraw/zinc/42/69/27/719426927.db2.gz HIXZVKOQBKGMHB-UXHICEINSA-N 1 1 468.985 2.916 20 0 JFADMO COC(=O)C1CCN(c2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)CC1 ZINC001164672552 719518103 /nfs/dbraw/zinc/51/81/03/719518103.db2.gz KGTQCJIDQINANO-UHFFFAOYSA-N 1 1 483.588 2.877 20 0 JFADMO C(c1nnc2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2)N1CCOCC1 ZINC001164680859 719585958 /nfs/dbraw/zinc/58/59/58/719585958.db2.gz RCBOQRNNVKALPP-UHFFFAOYSA-N 1 1 494.669 2.610 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164703965 719818507 /nfs/dbraw/zinc/81/85/07/719818507.db2.gz WNGDBDFIYNKKAJ-VYCLJVNGSA-N 1 1 498.631 2.773 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164703965 719818508 /nfs/dbraw/zinc/81/85/08/719818508.db2.gz WNGDBDFIYNKKAJ-VYCLJVNGSA-N 1 1 498.631 2.773 20 0 JFADMO CCOC(=O)c1cc2c(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)[nH]c(C)c(C)c-2n1 ZINC001164701887 719859570 /nfs/dbraw/zinc/85/95/70/719859570.db2.gz LMKPXBYZDHKZKE-BXKMTCNYSA-N 1 1 458.559 2.589 20 0 JFADMO CCOC(=O)c1cc2c(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)[nH]c(C)c(C)c-2n1 ZINC001164701888 719859686 /nfs/dbraw/zinc/85/96/86/719859686.db2.gz LMKPXBYZDHKZKE-MZNJEOGPSA-N 1 1 458.559 2.589 20 0 JFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164708188 719866008 /nfs/dbraw/zinc/86/60/08/719866008.db2.gz YHORAYIGCLKKTR-NPMXOYFQSA-N 1 1 474.562 2.538 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708586 719934235 /nfs/dbraw/zinc/93/42/35/719934235.db2.gz LXPPJQKUZPRGOC-JOCHJYFZSA-N 1 1 465.646 2.702 20 0 JFADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164713140 720053900 /nfs/dbraw/zinc/05/39/00/720053900.db2.gz MPBZNCCUDACOGN-OZOXKJRCSA-N 1 1 456.978 2.535 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814782 720095619 /nfs/dbraw/zinc/09/56/19/720095619.db2.gz WPPWSJBCLMTLRL-CPJSRVTESA-N 1 1 481.622 2.853 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164719114 720107895 /nfs/dbraw/zinc/10/78/95/720107895.db2.gz WICURETXZMBUIA-GOSISDBHSA-N 1 1 472.615 2.673 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)CC2 ZINC001164713611 720130130 /nfs/dbraw/zinc/13/01/30/720130130.db2.gz SURSRHOSNUOVLX-HSZRJFAPSA-N 1 1 494.640 2.769 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808203 720147967 /nfs/dbraw/zinc/14/79/67/720147967.db2.gz DWLOOHNHXUYTLE-UQBPGWFLSA-N 1 1 468.554 2.665 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820341 720170854 /nfs/dbraw/zinc/17/08/54/720170854.db2.gz ZZEFLJQAIIDXDN-WNCULLNHSA-N 1 1 462.642 2.988 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815248 720206453 /nfs/dbraw/zinc/20/64/53/720206453.db2.gz XXISVHJEMCBKOM-HRAATJIYSA-N 1 1 456.418 2.805 20 0 JFADMO COc1cc2nc(C)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2cc1OC ZINC001164813971 720223833 /nfs/dbraw/zinc/22/38/33/720223833.db2.gz QLFRKYHJWUYQRV-UHFFFAOYSA-N 1 1 452.559 2.763 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)CCC2 ZINC001164812316 720237068 /nfs/dbraw/zinc/23/70/68/720237068.db2.gz FDJCVCOFIBYKND-UHFFFAOYSA-N 1 1 488.640 2.610 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)C2)C1 ZINC001164721235 720286119 /nfs/dbraw/zinc/28/61/19/720286119.db2.gz HZSMSLYZBVWPTM-RXFWQSSRSA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)C2)C1 ZINC001164721235 720286129 /nfs/dbraw/zinc/28/61/29/720286129.db2.gz HZSMSLYZBVWPTM-RXFWQSSRSA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164723781 720286583 /nfs/dbraw/zinc/28/65/83/720286583.db2.gz YAZMEEBHYZLUIV-AREMUKBSSA-N 1 1 492.649 2.907 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C2)C1 ZINC001164723781 720286604 /nfs/dbraw/zinc/28/66/04/720286604.db2.gz YAZMEEBHYZLUIV-AREMUKBSSA-N 1 1 492.649 2.907 20 0 JFADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164832302 720457937 /nfs/dbraw/zinc/45/79/37/720457937.db2.gz SZBSETLIXUSPLP-HXUWFJFHSA-N 1 1 475.037 2.517 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164841455 720538466 /nfs/dbraw/zinc/53/84/66/720538466.db2.gz VYJHNMWTOQPJPY-CSODHUTKSA-N 1 1 452.559 2.932 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836677 720586012 /nfs/dbraw/zinc/58/60/12/720586012.db2.gz GHTNUWMCYWROQA-QWFCFKBJSA-N 1 1 451.575 2.719 20 0 JFADMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843588 720598133 /nfs/dbraw/zinc/59/81/33/720598133.db2.gz YJKKGKCOXREACF-NJDAHSKKSA-N 1 1 454.623 2.835 20 0 JFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744274 720676588 /nfs/dbraw/zinc/67/65/88/720676588.db2.gz YYZPPRWDERYKIA-CVEARBPZSA-N 1 1 452.540 2.514 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838388 720710561 /nfs/dbraw/zinc/71/05/61/720710561.db2.gz ITWKHUSEWJKFLY-FPYOTAMTSA-N 1 1 472.611 2.651 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164839022 720718699 /nfs/dbraw/zinc/71/86/99/720718699.db2.gz KISDCRLTYWHYOY-JOCHJYFZSA-N 1 1 465.598 2.645 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164740355 720748893 /nfs/dbraw/zinc/74/88/93/720748893.db2.gz KFXIDPLEXYMCGF-KGLIPLIRSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164740355 720748903 /nfs/dbraw/zinc/74/89/03/720748903.db2.gz KFXIDPLEXYMCGF-KGLIPLIRSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737479 720751111 /nfs/dbraw/zinc/75/11/11/720751111.db2.gz BVUDTDBCTXSXIA-HOTGVXAUSA-N 1 1 454.918 2.592 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737478 720751864 /nfs/dbraw/zinc/75/18/64/720751864.db2.gz BVUDTDBCTXSXIA-CVEARBPZSA-N 1 1 454.918 2.592 20 0 JFADMO CC[C@@H]1N(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CCC[C@]12CCC(=O)N2 ZINC001164847470 720752836 /nfs/dbraw/zinc/75/28/36/720752836.db2.gz MOOFOSGANXKHIO-JCWFFFCVSA-N 1 1 471.646 2.908 20 0 JFADMO CC[C@@H]1N(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CCC[C@]12CCC(=O)N2 ZINC001164847471 720753203 /nfs/dbraw/zinc/75/32/03/720753203.db2.gz MOOFOSGANXKHIO-JDITYXQVSA-N 1 1 471.646 2.908 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164742179 720772924 /nfs/dbraw/zinc/77/29/24/720772924.db2.gz NPRVQSBPQFDUKI-UKRRQHHQSA-N 1 1 462.888 2.969 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164742179 720772933 /nfs/dbraw/zinc/77/29/33/720772933.db2.gz NPRVQSBPQFDUKI-UKRRQHHQSA-N 1 1 462.888 2.969 20 0 JFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744867 720804261 /nfs/dbraw/zinc/80/42/61/720804261.db2.gz JALJNGWKUSXINT-CABCVRRESA-N 1 1 454.865 2.504 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164747813 720812191 /nfs/dbraw/zinc/81/21/91/720812191.db2.gz POGCMGBGLKOZJM-XYJFISCASA-N 1 1 495.962 2.823 20 0 JFADMO O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164847545 720816050 /nfs/dbraw/zinc/81/60/50/720816050.db2.gz AOPBQYZKRBEFTD-PWUYWRBVSA-N 1 1 483.616 2.847 20 0 JFADMO O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164847545 720816051 /nfs/dbraw/zinc/81/60/51/720816051.db2.gz AOPBQYZKRBEFTD-PWUYWRBVSA-N 1 1 483.616 2.847 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738033 720827911 /nfs/dbraw/zinc/82/79/11/720827911.db2.gz DOZKQMCMGPTENF-KCZVDYSFSA-N 1 1 461.570 2.777 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164743986 720828951 /nfs/dbraw/zinc/82/89/51/720828951.db2.gz SXEKLTNNZQOPFO-MIZPHKNDSA-N 1 1 461.570 2.777 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747409 720833912 /nfs/dbraw/zinc/83/39/12/720833912.db2.gz QMAIMEYFWYQTCM-KZNAEPCWSA-N 1 1 493.443 2.591 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747405 720834174 /nfs/dbraw/zinc/83/41/74/720834174.db2.gz QMAIMEYFWYQTCM-FGTMMUONSA-N 1 1 493.443 2.591 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164852546 720840172 /nfs/dbraw/zinc/84/01/72/720840172.db2.gz KRVLPYKJYDQFGW-NFBKMPQASA-N 1 1 472.033 2.862 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745230 720840380 /nfs/dbraw/zinc/84/03/80/720840380.db2.gz MYCYMCHVVRCXSG-WRALFONMSA-N 1 1 488.640 2.987 20 0 JFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164742445 720842404 /nfs/dbraw/zinc/84/24/04/720842404.db2.gz GLRBXIGKAAPGBV-XYJFISCASA-N 1 1 460.966 2.501 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164851856 720845215 /nfs/dbraw/zinc/84/52/15/720845215.db2.gz IGUWCIDBJYWHFS-DENIHFKCSA-N 1 1 458.006 2.819 20 0 JFADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747542 720847347 /nfs/dbraw/zinc/84/73/47/720847347.db2.gz RFDJSXZITCLODV-BRWVUGGUSA-N 1 1 453.925 2.568 20 0 JFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753607 720853737 /nfs/dbraw/zinc/85/37/37/720853737.db2.gz YQFMYUPPGLPOLV-PQNGQFLHSA-N 1 1 456.598 2.998 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164753038 720859844 /nfs/dbraw/zinc/85/98/44/720859844.db2.gz VNFBLPHGLMQCRQ-QLFBSQMISA-N 1 1 466.373 2.541 20 0 JFADMO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164752809 720860592 /nfs/dbraw/zinc/86/05/92/720860592.db2.gz UTBAROSXCFOTFE-ARFHVFGLSA-N 1 1 453.925 2.654 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1N1CCOCC1 ZINC001164746970 720861618 /nfs/dbraw/zinc/86/16/18/720861618.db2.gz HJGXPIIZCUMQKK-FGTMMUONSA-N 1 1 493.443 2.591 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750056 720869532 /nfs/dbraw/zinc/86/95/32/720869532.db2.gz INQTVEAZCNLTFB-NLFFAJNJSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750056 720869535 /nfs/dbraw/zinc/86/95/35/720869535.db2.gz INQTVEAZCNLTFB-NLFFAJNJSA-N 1 1 469.033 2.926 20 0 JFADMO NC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755754 720874172 /nfs/dbraw/zinc/87/41/72/720874172.db2.gz YSDVVJYMIPLOQN-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754579 720876452 /nfs/dbraw/zinc/87/64/52/720876452.db2.gz SBGZXPKJRXSEQY-FQRUVTKNSA-N 1 1 476.581 2.846 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748541 720876968 /nfs/dbraw/zinc/87/69/68/720876968.db2.gz FVGSFQRPCMLSQT-NBGIEHNGSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748541 720876970 /nfs/dbraw/zinc/87/69/70/720876970.db2.gz FVGSFQRPCMLSQT-NBGIEHNGSA-N 1 1 469.033 2.926 20 0 JFADMO CS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755295 720881965 /nfs/dbraw/zinc/88/19/65/720881965.db2.gz VVGFUGCDDYCAJC-URXFXBBRSA-N 1 1 456.612 2.635 20 0 JFADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164758180 720882162 /nfs/dbraw/zinc/88/21/62/720882162.db2.gz XKMYAQOUULMLBM-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO NS(=O)(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164758802 720885496 /nfs/dbraw/zinc/88/54/96/720885496.db2.gz ZNYSAIUEXGSCDF-XXBNENTESA-N 1 1 492.045 2.533 20 0 JFADMO CN(C)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2nc[nH]c21 ZINC001164755008 720895948 /nfs/dbraw/zinc/89/59/48/720895948.db2.gz KDCRQCYERRJKCV-NLFFAJNJSA-N 1 1 462.602 2.569 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753373 720896401 /nfs/dbraw/zinc/89/64/01/720896401.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 1 1 476.669 2.984 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753373 720896402 /nfs/dbraw/zinc/89/64/02/720896402.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 1 1 476.669 2.984 20 0 JFADMO CS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164752370 720906308 /nfs/dbraw/zinc/90/63/08/720906308.db2.gz NYHWAQQGDJQLJM-ZJSXRUAMSA-N 1 1 456.612 2.635 20 0 JFADMO c1ncn(Cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)n1 ZINC001164748513 720910777 /nfs/dbraw/zinc/91/07/77/720910777.db2.gz GNNMUVTXXYMOMA-AOYPEHQESA-N 1 1 459.598 2.872 20 0 JFADMO COCCOc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164750744 720914479 /nfs/dbraw/zinc/91/44/79/720914479.db2.gz KDQQKDSWRDHKSF-WIOPSUGQSA-N 1 1 453.587 2.652 20 0 JFADMO CON(C)C(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754602 720922304 /nfs/dbraw/zinc/92/23/04/720922304.db2.gz WECYMQKSICEYQB-JYFHCDHNSA-N 1 1 465.598 2.865 20 0 JFADMO CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754601 720922765 /nfs/dbraw/zinc/92/27/65/720922765.db2.gz WECYMQKSICEYQB-BVAGGSTKSA-N 1 1 465.598 2.865 20 0 JFADMO O=C(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752101 720923505 /nfs/dbraw/zinc/92/35/05/720923505.db2.gz NDVTWBQUAZEESS-HFZDXXHNSA-N 1 1 462.598 2.519 20 0 JFADMO O=C(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752111 720923946 /nfs/dbraw/zinc/92/39/46/720923946.db2.gz NDVTWBQUAZEESS-RLWLMLJZSA-N 1 1 462.598 2.519 20 0 JFADMO NC(=S)Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164754246 720927963 /nfs/dbraw/zinc/92/79/63/720927963.db2.gz VHXHGYIFPCZYCM-GBXCKJPGSA-N 1 1 452.628 2.887 20 0 JFADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164757366 721017385 /nfs/dbraw/zinc/01/73/85/721017385.db2.gz DMRUMLNGBFTKTM-YGOYIFOWSA-N 1 1 465.598 2.592 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164759100 721019967 /nfs/dbraw/zinc/01/99/67/721019967.db2.gz KPBQBWMWSRPZIH-HYZYYIOASA-N 1 1 498.631 2.978 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164759100 721019972 /nfs/dbraw/zinc/01/99/72/721019972.db2.gz KPBQBWMWSRPZIH-HYZYYIOASA-N 1 1 498.631 2.978 20 0 JFADMO c1ccc(CN2CCc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c3C2)cc1 ZINC001164868628 721058448 /nfs/dbraw/zinc/05/84/48/721058448.db2.gz OVAJASQLBKQOJP-BJKOFHAPSA-N 1 1 456.594 2.910 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164868150 721066488 /nfs/dbraw/zinc/06/64/88/721066488.db2.gz NDMQUQUCQVRMRE-JKSUJKDBSA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164764468 721075563 /nfs/dbraw/zinc/07/55/63/721075563.db2.gz HUAJXEOUMRKIOL-RBUKOAKNSA-N 1 1 459.554 2.751 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4C(=O)OCC4CC4)C[C@@H]3C2)cn1 ZINC001164773257 721113425 /nfs/dbraw/zinc/11/34/25/721113425.db2.gz XNZWVZYBODJHGP-SJORKVTESA-N 1 1 480.947 2.934 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867647 721119664 /nfs/dbraw/zinc/11/96/64/721119664.db2.gz ZFZUSRBQQXUHRI-FGZHOGPDSA-N 1 1 460.582 2.890 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164875468 721126442 /nfs/dbraw/zinc/12/64/42/721126442.db2.gz LQTIYMJLRYSDRO-FPOVZHCZSA-N 1 1 481.578 2.547 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164769889 721132392 /nfs/dbraw/zinc/13/23/92/721132392.db2.gz PXVXGNCXOWTERW-NNMXDRDESA-N 1 1 464.618 2.648 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2N1C1CCCC1 ZINC001164769891 721133132 /nfs/dbraw/zinc/13/31/32/721133132.db2.gz PXVXGNCXOWTERW-XQBPLPMBSA-N 1 1 464.618 2.648 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774132 721134732 /nfs/dbraw/zinc/13/47/32/721134732.db2.gz ZURVDPAGWBHRLT-RTBURBONSA-N 1 1 451.575 2.670 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874448 721140593 /nfs/dbraw/zinc/14/05/93/721140593.db2.gz KABFOVQPSWWZQA-HOTGVXAUSA-N 1 1 452.889 2.941 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762092 721162039 /nfs/dbraw/zinc/16/20/39/721162039.db2.gz BWNRKNPDBSGASU-IZZNHLLZSA-N 1 1 499.663 2.731 20 0 JFADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164869658 721199243 /nfs/dbraw/zinc/19/92/43/721199243.db2.gz RKUHKXDKXVNUSH-UHFFFAOYSA-N 1 1 482.592 2.520 20 0 JFADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164869658 721199261 /nfs/dbraw/zinc/19/92/61/721199261.db2.gz RKUHKXDKXVNUSH-UHFFFAOYSA-N 1 1 482.592 2.520 20 0 JFADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164765731 721199878 /nfs/dbraw/zinc/19/98/78/721199878.db2.gz IDHJBGLVFYRTLZ-SFTDATJTSA-N 1 1 481.670 2.832 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)C1 ZINC001164869315 721267463 /nfs/dbraw/zinc/26/74/63/721267463.db2.gz JOWQEEDWUHKRBZ-UHFFFAOYSA-N 1 1 485.938 2.974 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccc(Cl)cc4nc3Cl)CC2)C1 ZINC001164869408 721269497 /nfs/dbraw/zinc/26/94/97/721269497.db2.gz NPVCJWXSUQCDIE-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC2)C1 ZINC001164868612 721271483 /nfs/dbraw/zinc/27/14/83/721271483.db2.gz FDDHLNQVJZZAFE-UHFFFAOYSA-N 1 1 467.948 2.835 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC2)C1 ZINC001164875877 721280384 /nfs/dbraw/zinc/28/03/84/721280384.db2.gz ZIPBVMZOXKHWPS-UHFFFAOYSA-N 1 1 483.947 2.715 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccnc(CSc4ccccc4)n3)CC2)C1 ZINC001164875905 721290818 /nfs/dbraw/zinc/29/08/18/721290818.db2.gz HXFZSECNDPYHFK-UHFFFAOYSA-N 1 1 455.628 2.776 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)Oc3cc(Cl)nc(Cl)c3)CC2)C1 ZINC001164879189 721292676 /nfs/dbraw/zinc/29/26/76/721292676.db2.gz WNTZTXFIYRJOER-UHFFFAOYSA-N 1 1 467.344 2.820 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4CN(C(=O)c5ccsc5)CCO[C@@H]4C3)c2)CC1 ZINC001164874856 721299207 /nfs/dbraw/zinc/29/92/07/721299207.db2.gz DHZADHIASQKTRZ-PGRDOPGGSA-N 1 1 456.612 2.984 20 0 JFADMO CCN1CC[C@]2(CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@H](CO)C3)C[C@H]2C)C1=O ZINC001164776081 721320029 /nfs/dbraw/zinc/32/00/29/721320029.db2.gz BZAJQCOGVNTCDR-UYXZNNOOSA-N 1 1 471.646 2.575 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164779310 721354434 /nfs/dbraw/zinc/35/44/34/721354434.db2.gz SDLAYDBLVACJLN-FQEVSTJZSA-N 1 1 469.373 2.606 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164779310 721354438 /nfs/dbraw/zinc/35/44/38/721354438.db2.gz SDLAYDBLVACJLN-FQEVSTJZSA-N 1 1 469.373 2.606 20 0 JFADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(OC)c1 ZINC001164780678 721355878 /nfs/dbraw/zinc/35/58/78/721355878.db2.gz GLATVRYHZAFKJE-XMMPIXPASA-N 1 1 458.559 2.991 20 0 JFADMO CCOC(=O)c1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(OC)c1 ZINC001164780678 721355883 /nfs/dbraw/zinc/35/58/83/721355883.db2.gz GLATVRYHZAFKJE-XMMPIXPASA-N 1 1 458.559 2.991 20 0 JFADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(OC)c1 ZINC001164780676 721356041 /nfs/dbraw/zinc/35/60/41/721356041.db2.gz GLATVRYHZAFKJE-DEOSSOPVSA-N 1 1 458.559 2.991 20 0 JFADMO CCOC(=O)c1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(OC)c1 ZINC001164780676 721356048 /nfs/dbraw/zinc/35/60/48/721356048.db2.gz GLATVRYHZAFKJE-DEOSSOPVSA-N 1 1 458.559 2.991 20 0 JFADMO CCOC(=O)c1cnc(CC)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164783845 721372187 /nfs/dbraw/zinc/37/21/87/721372187.db2.gz PVFQQFHNOCFCTJ-DEOSSOPVSA-N 1 1 457.575 2.940 20 0 JFADMO CCOC(=O)c1cnc(CC)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164783845 721372192 /nfs/dbraw/zinc/37/21/92/721372192.db2.gz PVFQQFHNOCFCTJ-DEOSSOPVSA-N 1 1 457.575 2.940 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164781948 721379524 /nfs/dbraw/zinc/37/95/24/721379524.db2.gz KZNVANTYJNKTIU-DFCKQENNSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164781948 721379528 /nfs/dbraw/zinc/37/95/28/721379528.db2.gz KZNVANTYJNKTIU-DFCKQENNSA-N 1 1 484.604 2.844 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)NC4CCCCC4)C3)O2)CC1 ZINC001164893553 721386766 /nfs/dbraw/zinc/38/67/66/721386766.db2.gz VCDCHCKFVHFXTM-NVQXNPDNSA-N 1 1 455.647 2.910 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885624 721386919 /nfs/dbraw/zinc/38/69/19/721386919.db2.gz CVMMZQOINJCSKZ-UQBPGWFLSA-N 1 1 453.587 2.572 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)NC4CCCCC4)C3)O2)CC1 ZINC001164893550 721387003 /nfs/dbraw/zinc/38/70/03/721387003.db2.gz VCDCHCKFVHFXTM-ATIYNZHBSA-N 1 1 455.647 2.910 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)NC4CCCCC4)C3)O2)CC1 ZINC001164893552 721387095 /nfs/dbraw/zinc/38/70/95/721387095.db2.gz VCDCHCKFVHFXTM-GJZUVCINSA-N 1 1 455.647 2.910 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4C(=O)NCc4ccccc4)C3)O2)CC1 ZINC001164886317 721387935 /nfs/dbraw/zinc/38/79/35/721387935.db2.gz FBJVVBRRCSBGJS-YIXXDRMTSA-N 1 1 463.626 2.777 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164789107 721402521 /nfs/dbraw/zinc/40/25/21/721402521.db2.gz STHZQNHYFLXOAC-IAGOWNOFSA-N 1 1 466.592 2.693 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891987 721407573 /nfs/dbraw/zinc/40/75/73/721407573.db2.gz XTYFOUODWAGSFO-KKSFZXQISA-N 1 1 472.964 2.832 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C3)O2)CC1 ZINC001164892564 721410313 /nfs/dbraw/zinc/41/03/13/721410313.db2.gz YWJMRATYNYXHAJ-AXHZCLLHSA-N 1 1 490.052 2.944 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883468 721418858 /nfs/dbraw/zinc/41/88/58/721418858.db2.gz AARMKZBODPCDMS-LAUBAEHRSA-N 1 1 472.964 2.832 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164784731 721419622 /nfs/dbraw/zinc/41/96/22/721419622.db2.gz LFMMYGOWKJOMKU-HOTGVXAUSA-N 1 1 453.524 2.505 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C3)O2)CC1 ZINC001164884583 721420614 /nfs/dbraw/zinc/42/06/14/721420614.db2.gz FBXMSAIMJGAIRZ-KCWPFWIISA-N 1 1 492.672 2.689 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164885182 721423469 /nfs/dbraw/zinc/42/34/69/721423469.db2.gz GDBPFBATVNDIDX-UZUQRXQVSA-N 1 1 459.616 2.633 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH]c(Cl)cc-2n1 ZINC001164890284 721425527 /nfs/dbraw/zinc/42/55/27/721425527.db2.gz DBANVPRMQTZDKS-HJPURHCSSA-N 1 1 461.994 2.768 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894389 721428443 /nfs/dbraw/zinc/42/84/43/721428443.db2.gz LXGDITUHCSZOGQ-UTKZUKDTSA-N 1 1 466.964 2.989 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164891509 721429373 /nfs/dbraw/zinc/42/93/73/721429373.db2.gz GUIXBPPWCBZYDA-UTKZUKDTSA-N 1 1 472.964 2.832 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C3)O2)CC1 ZINC001164895356 721435812 /nfs/dbraw/zinc/43/58/12/721435812.db2.gz NWUQUTSNVDJAGU-LBNVMWSVSA-N 1 1 491.684 2.569 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@@](F)(COc4cncc(Cl)n4)C(F)F)C3)O2)CC1 ZINC001164890788 721439567 /nfs/dbraw/zinc/43/95/67/721439567.db2.gz FTPKNBBWUCVJMR-DQLDELGASA-N 1 1 477.959 2.701 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C3)O2)CC1 ZINC001164895367 721439649 /nfs/dbraw/zinc/43/96/49/721439649.db2.gz NYZONTPGKWEXEP-VGSWGCGISA-N 1 1 492.049 2.604 20 0 JFADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164891605 721441568 /nfs/dbraw/zinc/44/15/68/721441568.db2.gz HIDOTJFNIUOIBR-QFQXNSOFSA-N 1 1 467.614 2.926 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164786612 721460558 /nfs/dbraw/zinc/46/05/58/721460558.db2.gz OQLKTLYLTQQHIU-KRWDZBQOSA-N 1 1 452.983 2.651 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164783694 721462027 /nfs/dbraw/zinc/46/20/27/721462027.db2.gz FKMCDCRUQSOPJE-IBGZPJMESA-N 1 1 469.586 2.545 20 0 JFADMO CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc(N2CCOCC2)n1 ZINC001164785717 721462811 /nfs/dbraw/zinc/46/28/11/721462811.db2.gz NAFVINHHDAEVCM-HSZRJFAPSA-N 1 1 473.662 2.610 20 0 JFADMO CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(N2CCOCC2)n1 ZINC001164785717 721462815 /nfs/dbraw/zinc/46/28/15/721462815.db2.gz NAFVINHHDAEVCM-HSZRJFAPSA-N 1 1 473.662 2.610 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164789247 721465195 /nfs/dbraw/zinc/46/51/95/721465195.db2.gz MAFIIFCOCZGUTA-GOSISDBHSA-N 1 1 472.051 2.872 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)nc(N3CCCCCC3)n1)CC2 ZINC001164790087 721466935 /nfs/dbraw/zinc/46/69/35/721466935.db2.gz QSXLFAHQNKMUEZ-QFIPXVFZSA-N 1 1 488.677 2.995 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164789504 721466985 /nfs/dbraw/zinc/46/69/85/721466985.db2.gz NGDFEJQKORTVGK-QHCPKHFHSA-N 1 1 499.704 2.806 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164786461 721467446 /nfs/dbraw/zinc/46/74/46/721467446.db2.gz BKEKGQAODGBDLT-NRFANRHFSA-N 1 1 480.675 2.502 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164786386 721469232 /nfs/dbraw/zinc/46/92/32/721469232.db2.gz AXUJCNQNYMYPLU-QFIPXVFZSA-N 1 1 471.646 2.883 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(C(=O)OC)n1)CC2 ZINC001164790590 721469404 /nfs/dbraw/zinc/46/94/04/721469404.db2.gz RSQOTNUODPAUDU-KRWDZBQOSA-N 1 1 452.983 2.651 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164790682 721471407 /nfs/dbraw/zinc/47/14/07/721471407.db2.gz UTPYORPQQILBAC-QFIPXVFZSA-N 1 1 461.603 2.619 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164907127 721545780 /nfs/dbraw/zinc/54/57/80/721545780.db2.gz MEIZOYKGKOOGQX-QUCCMNQESA-N 1 1 480.496 2.961 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCOCC2)[C@@H]2CCCO[C@H]12 ZINC001164811166 721552203 /nfs/dbraw/zinc/55/22/03/721552203.db2.gz ZAZKDNPCNCJHDN-SMIHKQSGSA-N 1 1 460.582 2.730 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCOCC2)[C@H]2CCCO[C@@H]12 ZINC001164811165 721552404 /nfs/dbraw/zinc/55/24/04/721552404.db2.gz ZAZKDNPCNCJHDN-RBZQAINGSA-N 1 1 460.582 2.730 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(=O)OCC ZINC001164907002 721568200 /nfs/dbraw/zinc/56/82/00/721568200.db2.gz LTZCWGWFYGTXCP-IEBWSBKVSA-N 1 1 457.502 2.916 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164809363 721569130 /nfs/dbraw/zinc/56/91/30/721569130.db2.gz WOXFYWHHVPYQQY-VSKRKVRLSA-N 1 1 453.587 2.822 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164809363 721569134 /nfs/dbraw/zinc/56/91/34/721569134.db2.gz WOXFYWHHVPYQQY-VSKRKVRLSA-N 1 1 453.587 2.822 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801402 721571543 /nfs/dbraw/zinc/57/15/43/721571543.db2.gz GNEJZVRXJKHUJY-CQOQZXRMSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801402 721571546 /nfs/dbraw/zinc/57/15/46/721571546.db2.gz GNEJZVRXJKHUJY-CQOQZXRMSA-N 1 1 495.605 2.936 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)C1=O ZINC001164809303 721572756 /nfs/dbraw/zinc/57/27/56/721572756.db2.gz WGLDJKAAHWICQG-WSTZPKSXSA-N 1 1 456.978 2.757 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)C1=O ZINC001164809303 721572760 /nfs/dbraw/zinc/57/27/60/721572760.db2.gz WGLDJKAAHWICQG-WSTZPKSXSA-N 1 1 456.978 2.757 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@H]2C1=O ZINC001164905545 721575151 /nfs/dbraw/zinc/57/51/51/721575151.db2.gz ZVDIJXUVOIARDL-PKOBYXMFSA-N 1 1 469.655 2.953 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2C1=O ZINC001164900941 721575388 /nfs/dbraw/zinc/57/53/88/721575388.db2.gz BEZFNCNLFOYAQQ-SJLPKXTDSA-N 1 1 455.628 2.707 20 0 JFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCCCCC2)n1 ZINC001164805360 721575924 /nfs/dbraw/zinc/57/59/24/721575924.db2.gz MVGRAGUKVFALNQ-QHAWAJNXSA-N 1 1 453.591 2.524 20 0 JFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(N2CCCCCC2)n1 ZINC001164805360 721575927 /nfs/dbraw/zinc/57/59/27/721575927.db2.gz MVGRAGUKVFALNQ-QHAWAJNXSA-N 1 1 453.591 2.524 20 0 JFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCCCCC2)n1 ZINC001164805359 721576119 /nfs/dbraw/zinc/57/61/19/721576119.db2.gz MVGRAGUKVFALNQ-PCCBWWKXSA-N 1 1 453.591 2.524 20 0 JFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(N2CCCCCC2)n1 ZINC001164805359 721576121 /nfs/dbraw/zinc/57/61/21/721576121.db2.gz MVGRAGUKVFALNQ-PCCBWWKXSA-N 1 1 453.591 2.524 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C(=O)OCC ZINC001164804211 721591403 /nfs/dbraw/zinc/59/14/03/721591403.db2.gz JCWNHFUFQKEYNB-ONTIZHBOSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C(=O)OCC ZINC001164804211 721591405 /nfs/dbraw/zinc/59/14/05/721591405.db2.gz JCWNHFUFQKEYNB-ONTIZHBOSA-N 1 1 468.554 2.698 20 0 JFADMO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCOCC1 ZINC001164796931 721596317 /nfs/dbraw/zinc/59/63/17/721596317.db2.gz FAIFFTIYBXHKHP-AQNXPRMDSA-N 1 1 497.665 2.761 20 0 JFADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C(=O)OCC ZINC001164908396 721695269 /nfs/dbraw/zinc/69/52/69/721695269.db2.gz YXKNKODWFMJAGW-HSZRJFAPSA-N 1 1 489.523 2.963 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907010 721713143 /nfs/dbraw/zinc/71/31/43/721713143.db2.gz PKQHGBWHWSFHLM-FQEVSTJZSA-N 1 1 451.543 2.513 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908153 721722188 /nfs/dbraw/zinc/72/21/88/721722188.db2.gz WBNJCBVDWATTPG-PPGPUPIYSA-N 1 1 479.553 2.523 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908153 721722189 /nfs/dbraw/zinc/72/21/89/721722189.db2.gz WBNJCBVDWATTPG-PPGPUPIYSA-N 1 1 479.553 2.523 20 0 JFADMO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@@H]23)cn1 ZINC001165012693 721756128 /nfs/dbraw/zinc/75/61/28/721756128.db2.gz GQPNJIONRLEFBD-USZFVNFHSA-N 1 1 472.593 2.540 20 0 JFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)C2)cc1 ZINC001164910208 721780270 /nfs/dbraw/zinc/78/02/70/721780270.db2.gz APMFTASVZBAHJR-NDEPHWFRSA-N 1 1 486.620 2.538 20 0 JFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)C2)cc1 ZINC001164910208 721780272 /nfs/dbraw/zinc/78/02/72/721780272.db2.gz APMFTASVZBAHJR-NDEPHWFRSA-N 1 1 486.620 2.538 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914102 721783314 /nfs/dbraw/zinc/78/33/14/721783314.db2.gz BSRDWMBZPIGAHQ-DEOSSOPVSA-N 1 1 483.956 2.573 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914102 721783318 /nfs/dbraw/zinc/78/33/18/721783318.db2.gz BSRDWMBZPIGAHQ-DEOSSOPVSA-N 1 1 483.956 2.573 20 0 JFADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165018390 721786635 /nfs/dbraw/zinc/78/66/35/721786635.db2.gz IIJJCLLTLGOFCJ-MHZLTWQESA-N 1 1 464.610 2.730 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C(=O)OCC ZINC001165024598 721806617 /nfs/dbraw/zinc/80/66/17/721806617.db2.gz MHDVSBDLLOVJHD-YYWHXJBOSA-N 1 1 467.570 2.962 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@H]21 ZINC001165028135 721818686 /nfs/dbraw/zinc/81/86/86/721818686.db2.gz WLAKZLQSBQFDRG-CEMLEFRQSA-N 1 1 455.628 2.998 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024238 721819624 /nfs/dbraw/zinc/81/96/24/721819624.db2.gz KAYPQADBSKVWJP-AJSBUHFISA-N 1 1 480.613 2.622 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@H]21 ZINC001165024685 721827469 /nfs/dbraw/zinc/82/74/69/721827469.db2.gz KYURDQIYQQCKHB-WWPVKYPJSA-N 1 1 455.628 2.998 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1=O ZINC001164920532 721844120 /nfs/dbraw/zinc/84/41/20/721844120.db2.gz KDIUHNDDKVAEQQ-ICSRJNTNSA-N 1 1 499.681 2.866 20 0 JFADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001165034247 721875446 /nfs/dbraw/zinc/87/54/46/721875446.db2.gz IEBHJHJGZQBLEY-QGZVFWFLSA-N 1 1 471.627 2.670 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CCC4(C=C(C(=O)N5CCCC5)c5ccccc54)CC3)n2)CC1 ZINC001164927508 721899637 /nfs/dbraw/zinc/89/96/37/721899637.db2.gz ISCISKYOBWXVMO-UHFFFAOYSA-N 1 1 458.610 2.786 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165036327 721915388 /nfs/dbraw/zinc/91/53/88/721915388.db2.gz BVIYOTDFONTRTM-FGTMMUONSA-N 1 1 464.561 2.527 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945720 721943540 /nfs/dbraw/zinc/94/35/40/721943540.db2.gz UNICTLCRXUOCAB-JWQCQUIFSA-N 1 1 460.582 2.729 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945720 721943543 /nfs/dbraw/zinc/94/35/43/721943543.db2.gz UNICTLCRXUOCAB-JWQCQUIFSA-N 1 1 460.582 2.729 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945722 721943661 /nfs/dbraw/zinc/94/36/61/721943661.db2.gz UNICTLCRXUOCAB-LOSJGSFVSA-N 1 1 460.582 2.729 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164945722 721943663 /nfs/dbraw/zinc/94/36/63/721943663.db2.gz UNICTLCRXUOCAB-LOSJGSFVSA-N 1 1 460.582 2.729 20 0 JFADMO COc1cc2nc(C)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2cc1OC ZINC001164946774 721974497 /nfs/dbraw/zinc/97/44/97/721974497.db2.gz KWCZBKZFLSKTKN-UHFFFAOYSA-N 1 1 461.566 2.926 20 0 JFADMO COc1cc2nc(C)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2cc1OC ZINC001164946774 721974499 /nfs/dbraw/zinc/97/44/99/721974499.db2.gz KWCZBKZFLSKTKN-UHFFFAOYSA-N 1 1 461.566 2.926 20 0 JFADMO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164963845 722056551 /nfs/dbraw/zinc/05/65/51/722056551.db2.gz NQCOWJRHPINDML-UHFFFAOYSA-N 1 1 459.978 2.882 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2C1 ZINC001164965065 722062446 /nfs/dbraw/zinc/06/24/46/722062446.db2.gz IPNKPMGPLSWXCA-OAQYLSRUSA-N 1 1 465.598 2.659 20 0 JFADMO CC(C)C(=O)N1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@]2(CCCC(=O)N2)C1 ZINC001164972783 722087997 /nfs/dbraw/zinc/08/79/97/722087997.db2.gz MRFGMLCFZUHYPZ-NDEPHWFRSA-N 1 1 475.637 2.983 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982718 722101469 /nfs/dbraw/zinc/10/14/69/722101469.db2.gz OCISFHDGSSMFEO-FUHWJXTLSA-N 1 1 481.931 2.974 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982854 722105724 /nfs/dbraw/zinc/10/57/24/722105724.db2.gz PNCOLPXCWSSEOS-RBUKOAKNSA-N 1 1 494.974 2.634 20 0 JFADMO Cc1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978181 722128215 /nfs/dbraw/zinc/12/82/15/722128215.db2.gz NSVXMTFZVWQOLI-IFMALSPDSA-N 1 1 480.638 2.959 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977075 722143788 /nfs/dbraw/zinc/14/37/88/722143788.db2.gz IMASQOBNICPPHI-IEIRFRATSA-N 1 1 473.643 2.671 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164972194 722156598 /nfs/dbraw/zinc/15/65/98/722156598.db2.gz GOHNBMQDOLLDPU-LSDHHAIUSA-N 1 1 452.342 2.692 20 0 JFADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c12 ZINC001164984515 722178085 /nfs/dbraw/zinc/17/80/85/722178085.db2.gz FCFXBXNTUMIGAI-ROUUACIJSA-N 1 1 456.572 2.769 20 0 JFADMO COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)n2)CC1 ZINC001164993205 722184173 /nfs/dbraw/zinc/18/41/73/722184173.db2.gz VPNKUAMHZXJGGG-LEWJYISDSA-N 1 1 486.642 2.501 20 0 JFADMO COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)n2)CC1 ZINC001164993206 722184201 /nfs/dbraw/zinc/18/42/01/722184201.db2.gz VPNKUAMHZXJGGG-NHCUHLMSSA-N 1 1 486.642 2.501 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995654 722205375 /nfs/dbraw/zinc/20/53/75/722205375.db2.gz OUTVPOVTIXCNMR-RUZDIDTESA-N 1 1 469.561 2.874 20 0 JFADMO CCOC(=O)c1cc2c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)[nH]c(C)c(C)c-2n1 ZINC001164997594 722234864 /nfs/dbraw/zinc/23/48/64/722234864.db2.gz RKSFISZSAQITHM-UHFFFAOYSA-N 1 1 463.586 2.503 20 0 JFADMO COc1ccc(Cc2c(C)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2C)cc1 ZINC001165002733 722239567 /nfs/dbraw/zinc/23/95/67/722239567.db2.gz XVSBZQAPOIVMOH-UHFFFAOYSA-N 1 1 473.625 2.840 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC3)CC1 ZINC001165004735 722240559 /nfs/dbraw/zinc/24/05/59/722240559.db2.gz QHXMHKQOMCUXGV-UHFFFAOYSA-N 1 1 477.444 2.921 20 0 JFADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002375 722243018 /nfs/dbraw/zinc/24/30/18/722243018.db2.gz CGIQWYHCKWXGFN-JYFHCDHNSA-N 1 1 471.605 2.956 20 0 JFADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002377 722243096 /nfs/dbraw/zinc/24/30/96/722243096.db2.gz CGIQWYHCKWXGFN-OZXSUGGESA-N 1 1 471.605 2.956 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999829 722247365 /nfs/dbraw/zinc/24/73/65/722247365.db2.gz CTFVDGXDQHIFEA-WIOPSUGQSA-N 1 1 452.603 2.921 20 0 JFADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297581 1059475779 /nfs/dbraw/zinc/47/57/79/1059475779.db2.gz UJJAMBWDNTZHNN-IEBWSBKVSA-N 1 1 489.432 2.502 20 0 JFADMO COC1(C(F)(F)Cn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCOCC1 ZINC001299739951 1059475904 /nfs/dbraw/zinc/47/59/04/1059475904.db2.gz IMNKQMBXUKDOHS-UHFFFAOYSA-N 1 1 473.609 2.954 20 0 JFADMO COC1(C(F)(F)Cn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCOCC1 ZINC001299739951 1059475925 /nfs/dbraw/zinc/47/59/25/1059475925.db2.gz IMNKQMBXUKDOHS-UHFFFAOYSA-N 1 1 473.609 2.954 20 0 JFADMO O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000585482180 1059482317 /nfs/dbraw/zinc/48/23/17/1059482317.db2.gz ZFVRNAJBNMASAA-UHFFFAOYSA-N 1 1 455.506 2.748 20 0 JFADMO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001264017293 1059505269 /nfs/dbraw/zinc/50/52/69/1059505269.db2.gz JEQBPUWQKSVTCM-IDISGSTGSA-N 1 1 473.577 2.909 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001264510007 1059600435 /nfs/dbraw/zinc/60/04/35/1059600435.db2.gz CTFGHTNWTKCZBT-UXHICEINSA-N 1 1 452.640 2.957 20 0 JFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 ZINC001264825926 1059694642 /nfs/dbraw/zinc/69/46/42/1059694642.db2.gz SZFUHGNMOGJSGI-UHFFFAOYSA-N 1 1 451.502 2.968 20 0 JFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ncccc1OCC(F)(F)F ZINC001264825640 1059694752 /nfs/dbraw/zinc/69/47/52/1059694752.db2.gz GUHYGSVIRMNWOO-UHFFFAOYSA-N 1 1 452.433 2.671 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(C)c(OCC(=O)OC)c(C)c3)cc2)CC1 ZINC001264847266 1059704791 /nfs/dbraw/zinc/70/47/91/1059704791.db2.gz IHPWKJKJPDNSQJ-UHFFFAOYSA-N 1 1 453.539 2.885 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)Cc3sc(-c4ccn(C)n4)nc3C)cc2)CC1 ZINC001264847103 1059704950 /nfs/dbraw/zinc/70/49/50/1059704950.db2.gz BMJHWOXSNPPFBW-UHFFFAOYSA-N 1 1 452.584 2.811 20 0 JFADMO COCCOc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC001264872007 1059712047 /nfs/dbraw/zinc/71/20/47/1059712047.db2.gz BQAUHTBYFCFOJZ-MRXNPFEDSA-N 1 1 455.584 2.839 20 0 JFADMO COCCOc1ccc(-n2nc(C)c(C(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)n2)cc1 ZINC001264872007 1059712065 /nfs/dbraw/zinc/71/20/65/1059712065.db2.gz BQAUHTBYFCFOJZ-MRXNPFEDSA-N 1 1 455.584 2.839 20 0 JFADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4csnn4)cc3)c2)CC1 ZINC001264943568 1059734597 /nfs/dbraw/zinc/73/45/97/1059734597.db2.gz LQTQOXBJWHIWGU-UHFFFAOYSA-N 1 1 457.581 2.784 20 0 JFADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(-c4csnn4)cc3)c2)CC1 ZINC001264943568 1059734615 /nfs/dbraw/zinc/73/46/15/1059734615.db2.gz LQTQOXBJWHIWGU-UHFFFAOYSA-N 1 1 457.581 2.784 20 0 JFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccc(OC(F)F)cc2F)cc1 ZINC001264953736 1059737871 /nfs/dbraw/zinc/73/78/71/1059737871.db2.gz RUWQTDACCREBQE-UHFFFAOYSA-N 1 1 450.461 2.890 20 0 JFADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001265034696 1059756231 /nfs/dbraw/zinc/75/62/31/1059756231.db2.gz FLWIQWLXQJIIDJ-SFHVURJKSA-N 1 1 454.571 2.635 20 0 JFADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC001265053753 1059757853 /nfs/dbraw/zinc/75/78/53/1059757853.db2.gz FVWGZHXEOGNGLS-VXKWHMMOSA-N 1 1 459.616 2.656 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001265122427 1059771669 /nfs/dbraw/zinc/77/16/69/1059771669.db2.gz KEKBAUYAXAACAE-UHFFFAOYSA-N 1 1 452.640 2.863 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@@H](C)C1 ZINC001265127361 1059774093 /nfs/dbraw/zinc/77/40/93/1059774093.db2.gz ALTDLQIXKISFPN-AZXNSQLWSA-N 1 1 453.624 2.513 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001265282551 1059816511 /nfs/dbraw/zinc/81/65/11/1059816511.db2.gz ZFFSBFNHSCZLMG-IBGZPJMESA-N 1 1 456.591 2.930 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400586 1059845069 /nfs/dbraw/zinc/84/50/69/1059845069.db2.gz UYFBAAHFMISZAV-XMSQKQJNSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(NC(=O)CSCC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001265400586 1059845098 /nfs/dbraw/zinc/84/50/98/1059845098.db2.gz UYFBAAHFMISZAV-XMSQKQJNSA-N 1 1 457.596 2.773 20 0 JFADMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC001265404409 1059845667 /nfs/dbraw/zinc/84/56/67/1059845667.db2.gz QPVACPXHRIHVFX-LCLWPZTBSA-N 1 1 451.633 2.964 20 0 JFADMO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412350 1059849943 /nfs/dbraw/zinc/84/99/43/1059849943.db2.gz DMMKRFYTDYLTFA-OXJNMPFZSA-N 1 1 451.614 2.820 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC001265595983 1059894521 /nfs/dbraw/zinc/89/45/21/1059894521.db2.gz QENTULWJLMWGNF-GOSISDBHSA-N 1 1 457.918 2.684 20 0 JFADMO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836851 1059933428 /nfs/dbraw/zinc/93/34/28/1059933428.db2.gz QCDMQAZERUSZDV-DHIUTWEWSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836851 1059933452 /nfs/dbraw/zinc/93/34/52/1059933452.db2.gz QCDMQAZERUSZDV-DHIUTWEWSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837230 1059934401 /nfs/dbraw/zinc/93/44/01/1059934401.db2.gz VLVDIOUCCYQZNP-GHTZIAJQSA-N 1 1 459.493 2.801 20 0 JFADMO CC[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837230 1059934423 /nfs/dbraw/zinc/93/44/23/1059934423.db2.gz VLVDIOUCCYQZNP-GHTZIAJQSA-N 1 1 459.493 2.801 20 0 JFADMO CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2S1(=O)=O ZINC001279365636 1059982990 /nfs/dbraw/zinc/98/29/90/1059982990.db2.gz WKFMKOURGWDPFV-NRFANRHFSA-N 1 1 455.580 2.834 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001286840367 1061100077 /nfs/dbraw/zinc/10/00/77/1061100077.db2.gz DLQHUHVAHSSAEL-UHFFFAOYSA-N 1 1 481.689 2.974 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc[nH+]c2C)CC1 ZINC001286841334 1061106447 /nfs/dbraw/zinc/10/64/47/1061106447.db2.gz PXQFZEDNAHGSBG-UHFFFAOYSA-N 1 1 489.422 2.698 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286843188 1061120457 /nfs/dbraw/zinc/12/04/57/1061120457.db2.gz ITKLKXJUJZRBPH-UHFFFAOYSA-N 1 1 468.646 2.621 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286846353 1061149751 /nfs/dbraw/zinc/14/97/51/1061149751.db2.gz ZCNAQSNQDPYLQY-HNVPCBRESA-N 1 1 490.693 2.888 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286847372 1061157084 /nfs/dbraw/zinc/15/70/84/1061157084.db2.gz XKLMUWAWYYMPLJ-UNMCSNQZSA-N 1 1 496.660 2.742 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286847371 1061157117 /nfs/dbraw/zinc/15/71/17/1061157117.db2.gz XKLMUWAWYYMPLJ-RBBKRZOGSA-N 1 1 496.660 2.742 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286849053 1061167387 /nfs/dbraw/zinc/16/73/87/1061167387.db2.gz SZYLLRCEKRNQOG-RTWAWAEBSA-N 1 1 472.609 2.626 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286853917 1061201216 /nfs/dbraw/zinc/20/12/16/1061201216.db2.gz HBHTVSLCYQXAQM-HVJHZFLKSA-N 1 1 460.667 2.984 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001289587108 1061231841 /nfs/dbraw/zinc/23/18/41/1061231841.db2.gz VWYYPWIOQLLMJU-QWFCFKBJSA-N 1 1 478.663 2.733 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289587179 1061231978 /nfs/dbraw/zinc/23/19/78/1061231978.db2.gz WOAFFEGQBRLEBI-NHCUHLMSSA-N 1 1 472.634 2.944 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)o1 ZINC001289600737 1061245520 /nfs/dbraw/zinc/24/55/20/1061245520.db2.gz PAWGJFNMAUBBIC-LJQANCHMSA-N 1 1 458.607 2.650 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)o1 ZINC001289600737 1061245539 /nfs/dbraw/zinc/24/55/39/1061245539.db2.gz PAWGJFNMAUBBIC-LJQANCHMSA-N 1 1 458.607 2.650 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001289601714 1061247162 /nfs/dbraw/zinc/24/71/62/1061247162.db2.gz FAOLKVMXPFKECH-SFHVURJKSA-N 1 1 452.550 2.735 20 0 JFADMO Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001289606147 1061251835 /nfs/dbraw/zinc/25/18/35/1061251835.db2.gz WITOJUUHUILMEP-LJQANCHMSA-N 1 1 470.540 2.888 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286868513 1061257039 /nfs/dbraw/zinc/25/70/39/1061257039.db2.gz BFEWUJWDKFXDLM-GBXCKJPGSA-N 1 1 454.619 2.743 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286868904 1061259527 /nfs/dbraw/zinc/25/95/27/1061259527.db2.gz CHXOWLDTMVOEPF-RDGATRHJSA-N 1 1 497.688 2.706 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286870274 1061264822 /nfs/dbraw/zinc/26/48/22/1061264822.db2.gz INKOBRQZTYOKER-QPPBQGQZSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001286870247 1061264886 /nfs/dbraw/zinc/26/48/86/1061264886.db2.gz IIXXTLLSSLMFLA-SIKLNZKXSA-N 1 1 454.623 2.550 20 0 JFADMO Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2CC2CCN(CC[NH+](C)C)CC2)s1 ZINC001289629801 1061265035 /nfs/dbraw/zinc/26/50/35/1061265035.db2.gz AWCZOSYRZVPTAW-UHFFFAOYSA-N 1 1 461.680 2.696 20 0 JFADMO Cc1ccc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@H+]2CCCO)o1 ZINC001289635905 1061269382 /nfs/dbraw/zinc/26/93/82/1061269382.db2.gz ULPAECJPQKLBSJ-FQEVSTJZSA-N 1 1 487.626 2.733 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286871440 1061272407 /nfs/dbraw/zinc/27/24/07/1061272407.db2.gz OFKGNHNWNAARAJ-QAPCUYQASA-N 1 1 474.597 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@@H]2C)CC1 ZINC001286872372 1061278044 /nfs/dbraw/zinc/27/80/44/1061278044.db2.gz UYFVKNMTXBDGCZ-SIKLNZKXSA-N 1 1 453.635 2.592 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@H]2C)CC1 ZINC001286872591 1061278695 /nfs/dbraw/zinc/27/86/95/1061278695.db2.gz WTFSDIGSZUMUGO-IRLDBZIGSA-N 1 1 460.667 2.551 20 0 JFADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001289662196 1061282192 /nfs/dbraw/zinc/28/21/92/1061282192.db2.gz KKISZVZOWHMYCC-GOSISDBHSA-N 1 1 480.654 2.941 20 0 JFADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001289662303 1061282635 /nfs/dbraw/zinc/28/26/35/1061282635.db2.gz LNXWWSJFPRXYSM-REWPJTCUSA-N 1 1 497.669 2.598 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286872951 1061282906 /nfs/dbraw/zinc/28/29/06/1061282906.db2.gz ZEWBJKJCNJRTFR-XXBNENTESA-N 1 1 468.646 3.000 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Br)s3)n2CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001286876764 1061294463 /nfs/dbraw/zinc/29/44/63/1061294463.db2.gz MXYCILDMNFYAGB-OAHLLOKOSA-N 1 1 497.463 2.548 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286877672 1061296377 /nfs/dbraw/zinc/29/63/77/1061296377.db2.gz ZTWKMMPRONMHCL-QGZVFWFLSA-N 1 1 479.000 2.907 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286877987 1061296637 /nfs/dbraw/zinc/29/66/37/1061296637.db2.gz MLKFPKOUZOVVNE-UHFFFAOYSA-N 1 1 451.550 2.588 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286882185 1061309217 /nfs/dbraw/zinc/30/92/17/1061309217.db2.gz BEOKEBKFMMZANE-HDICACEKSA-N 1 1 459.664 2.670 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001286882786 1061310992 /nfs/dbraw/zinc/31/09/92/1061310992.db2.gz IZDDBYPMWZCNBN-NHCUHLMSSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286883375 1061313920 /nfs/dbraw/zinc/31/39/20/1061313920.db2.gz NHYQXJWUDFPIQH-QFIPXVFZSA-N 1 1 484.645 2.643 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286883552 1061314468 /nfs/dbraw/zinc/31/44/68/1061314468.db2.gz QCBZFVQTGVUZKD-AQNXPRMDSA-N 1 1 472.609 2.564 20 0 JFADMO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286884028 1061316773 /nfs/dbraw/zinc/31/67/73/1061316773.db2.gz BIAUZMHOBDFZGS-SZPZYZBQSA-N 1 1 468.646 2.936 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC001286884975 1061322011 /nfs/dbraw/zinc/32/20/11/1061322011.db2.gz SLISJZGQEUZBHI-PXNSSMCTSA-N 1 1 459.664 2.811 20 0 JFADMO Cc1ccc(N2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC[N@@H+](C)C(C)C)CC2=O)cc1 ZINC001289716573 1061324046 /nfs/dbraw/zinc/32/40/46/1061324046.db2.gz MKBAABTUWPCXIU-SANMLTNESA-N 1 1 484.645 2.821 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCCCO3)C[C@@H]2C)CC1 ZINC001286886285 1061328898 /nfs/dbraw/zinc/32/88/98/1061328898.db2.gz BWIAJCCKCKVRDU-KSEOMHKRSA-N 1 1 460.667 2.815 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001286886425 1061329124 /nfs/dbraw/zinc/32/91/24/1061329124.db2.gz CTQGPPFRROHNQY-TZIWHRDSSA-N 1 1 491.681 2.695 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3)C[C@@H]2C)CC1 ZINC001286886673 1061330265 /nfs/dbraw/zinc/33/02/65/1061330265.db2.gz HKUTYDFRSDYHQH-FDDCHVKYSA-N 1 1 474.600 2.986 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886704 1061330930 /nfs/dbraw/zinc/33/09/30/1061330930.db2.gz HRVPQSJDUDYGBO-JQYIIUTOSA-N 1 1 495.716 2.986 20 0 JFADMO Cc1c(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCSCC2)cnn1C ZINC001289722813 1061331337 /nfs/dbraw/zinc/33/13/37/1061331337.db2.gz LBRKPQSOAYOHOJ-UHFFFAOYSA-N 1 1 482.658 2.874 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886801 1061331392 /nfs/dbraw/zinc/33/13/92/1061331392.db2.gz ITRHWPINZPMXJI-PGRDOPGGSA-N 1 1 472.609 2.888 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccncc3Cl)C[C@H]2C)CC1 ZINC001286886779 1061331459 /nfs/dbraw/zinc/33/14/59/1061331459.db2.gz IPTKRRFPUIHMNB-DYESRHJHSA-N 1 1 460.026 2.562 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3cnn(CC(C)C)c3C)C[C@H]2C)CC1 ZINC001286886973 1061332310 /nfs/dbraw/zinc/33/23/10/1061332310.db2.gz LGHSECPKHWLRKZ-YKSBVNFPSA-N 1 1 484.693 2.675 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[C@](C)(O)c3ccccc3)C[C@H]2C)CC1 ZINC001286886990 1061332707 /nfs/dbraw/zinc/33/27/07/1061332707.db2.gz LPYRDOZQYSKDOQ-DBTWGZIYSA-N 1 1 482.673 2.763 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC(C)C)cc3)C[C@H]2C)CC1 ZINC001286887158 1061334015 /nfs/dbraw/zinc/33/40/15/1061334015.db2.gz OCZRJTAVKZNXDN-DVECYGJZSA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286887527 1061337313 /nfs/dbraw/zinc/33/73/13/1061337313.db2.gz SELPMOYNYAOABU-URXFXBBRSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCO[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286887782 1061338333 /nfs/dbraw/zinc/33/83/33/1061338333.db2.gz USXSMZLGUXAFOL-YVNJGZBMSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC001286887859 1061338827 /nfs/dbraw/zinc/33/88/27/1061338827.db2.gz HAOPDTRDASTTFQ-KKSHJYNMSA-N 1 1 490.693 2.755 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCOC(F)F)cc1C ZINC001289729445 1061339786 /nfs/dbraw/zinc/33/97/86/1061339786.db2.gz OHYGQBPEPKXNPK-ICSRJNTNSA-N 1 1 492.571 2.933 20 0 JFADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286888076 1061339872 /nfs/dbraw/zinc/33/98/72/1061339872.db2.gz JJIBNZWXGJQVKE-FQEVSTJZSA-N 1 1 472.659 2.658 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289732452 1061342049 /nfs/dbraw/zinc/34/20/49/1061342049.db2.gz FOSAZOSVPIGDBD-JOCHJYFZSA-N 1 1 483.661 2.646 20 0 JFADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC001286888730 1061343288 /nfs/dbraw/zinc/34/32/88/1061343288.db2.gz QMYVGBVJNZLVDL-OAQYLSRUSA-N 1 1 499.729 2.962 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCn2cncn2)cc1C ZINC001289732724 1061343361 /nfs/dbraw/zinc/34/33/61/1061343361.db2.gz KDUUJKGYOMABFV-UHFFFAOYSA-N 1 1 479.633 2.996 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289735084 1061346638 /nfs/dbraw/zinc/34/66/38/1061346638.db2.gz HGSTXJOAJABWAA-VWLOTQADSA-N 1 1 467.618 2.594 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCc2nccs2)CC1 ZINC001286889317 1061347247 /nfs/dbraw/zinc/34/72/47/1061347247.db2.gz JKVFEKHJQSQYMX-UHFFFAOYSA-N 1 1 474.034 2.898 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735817 1061348829 /nfs/dbraw/zinc/34/88/29/1061348829.db2.gz UBKAAHOZQOQVSW-JTSKRJEESA-N 1 1 480.535 2.993 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001289737672 1061350073 /nfs/dbraw/zinc/35/00/73/1061350073.db2.gz GQTQACPSDPANGT-NRFANRHFSA-N 1 1 499.641 2.756 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001289739094 1061352327 /nfs/dbraw/zinc/35/23/27/1061352327.db2.gz HEPYDORZCMIUGU-ICSRJNTNSA-N 1 1 479.585 2.745 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286890077 1061352828 /nfs/dbraw/zinc/35/28/28/1061352828.db2.gz XBFGJWOLBQFKCL-UHFFFAOYSA-N 1 1 455.538 2.650 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001286890576 1061355309 /nfs/dbraw/zinc/35/53/09/1061355309.db2.gz ASWNZWWDNZRSRD-MRXNPFEDSA-N 1 1 464.973 2.517 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001286890573 1061355350 /nfs/dbraw/zinc/35/53/50/1061355350.db2.gz ASWNZWWDNZRSRD-INIZCTEOSA-N 1 1 464.973 2.517 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001289740881 1061355667 /nfs/dbraw/zinc/35/56/67/1061355667.db2.gz RAJNQBDGOORKNF-UHFFFAOYSA-N 1 1 469.634 2.936 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289741239 1061356481 /nfs/dbraw/zinc/35/64/81/1061356481.db2.gz TZQVHECFLJHTFC-PXNSSMCTSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001286891530 1061361248 /nfs/dbraw/zinc/36/12/48/1061361248.db2.gz IQPBMIGUAMQBOW-UHFFFAOYSA-N 1 1 473.528 2.675 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001289744084 1061361445 /nfs/dbraw/zinc/36/14/45/1061361445.db2.gz UXVIJTVYYBANML-ATIYNZHBSA-N 1 1 484.645 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@](C)(O)CCC(C)C)cc1C ZINC001289744084 1061361461 /nfs/dbraw/zinc/36/14/61/1061361461.db2.gz UXVIJTVYYBANML-ATIYNZHBSA-N 1 1 484.645 2.855 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001286891966 1061363225 /nfs/dbraw/zinc/36/32/25/1061363225.db2.gz RBWHOOKFTPMTPA-UHFFFAOYSA-N 1 1 467.540 2.617 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCOCC3)C2)nc1 ZINC001289746866 1061364994 /nfs/dbraw/zinc/36/49/94/1061364994.db2.gz DRBIWODJVHKUIV-FQEVSTJZSA-N 1 1 469.634 2.856 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3Cl)nnc2N(C)Cc2nccs2)CC1 ZINC001286892618 1061365585 /nfs/dbraw/zinc/36/55/85/1061365585.db2.gz YUGQEZXBNZKPEU-UHFFFAOYSA-N 1 1 460.007 2.856 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289748481 1061369037 /nfs/dbraw/zinc/36/90/37/1061369037.db2.gz RLJLLNSBJMZZAF-PMACEKPBSA-N 1 1 455.607 2.681 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289748490 1061369166 /nfs/dbraw/zinc/36/91/66/1061369166.db2.gz RLJLLNSBJMZZAF-WOJBJXKFSA-N 1 1 455.607 2.681 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001289748378 1061369205 /nfs/dbraw/zinc/36/92/05/1061369205.db2.gz QIVQICOTELEZIZ-VQTJNVASSA-N 1 1 482.633 2.518 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC001286894406 1061372400 /nfs/dbraw/zinc/37/24/00/1061372400.db2.gz DJXHMHCBESSPQG-UHFFFAOYSA-N 1 1 464.618 2.929 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286897972 1061384045 /nfs/dbraw/zinc/38/40/45/1061384045.db2.gz UPKVAQCTIYQXLF-CDNGDFIJSA-N 1 1 496.660 2.929 20 0 JFADMO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC001289769805 1061391624 /nfs/dbraw/zinc/39/16/24/1061391624.db2.gz VEVHZXXDBKLKHZ-UHFFFAOYSA-N 1 1 497.688 2.799 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1 ZINC001289772385 1061393585 /nfs/dbraw/zinc/39/35/85/1061393585.db2.gz HNHINUXDTVYSNH-GOSISDBHSA-N 1 1 468.627 2.985 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1 ZINC001289772385 1061393600 /nfs/dbraw/zinc/39/36/00/1061393600.db2.gz HNHINUXDTVYSNH-GOSISDBHSA-N 1 1 468.627 2.985 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2NC(=O)CC2(C)C)cc1 ZINC001289774898 1061397126 /nfs/dbraw/zinc/39/71/26/1061397126.db2.gz MLKFUFUJWJNQOD-JOCHJYFZSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286903413 1061402751 /nfs/dbraw/zinc/40/27/51/1061402751.db2.gz BIJKBNCLAZZWEV-AZUAARDMSA-N 1 1 482.633 2.541 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001286906567 1061427639 /nfs/dbraw/zinc/42/76/39/1061427639.db2.gz DWQDHLWLENVBBX-SQJMNOBHSA-N 1 1 476.666 2.546 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289810588 1061455653 /nfs/dbraw/zinc/45/56/53/1061455653.db2.gz VJDJBEHNESZJIL-LEWJYISDSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289810588 1061455661 /nfs/dbraw/zinc/45/56/61/1061455661.db2.gz VJDJBEHNESZJIL-LEWJYISDSA-N 1 1 475.659 2.909 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286912079 1061466547 /nfs/dbraw/zinc/46/65/47/1061466547.db2.gz JKINQNLIFGYMLD-SQGPQFPESA-N 1 1 459.664 2.859 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286913268 1061473002 /nfs/dbraw/zinc/47/30/02/1061473002.db2.gz UEHVEGJPEFZUHO-JOCHJYFZSA-N 1 1 484.645 2.690 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286913268 1061473015 /nfs/dbraw/zinc/47/30/15/1061473015.db2.gz UEHVEGJPEFZUHO-JOCHJYFZSA-N 1 1 484.645 2.690 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286915460 1061493028 /nfs/dbraw/zinc/49/30/28/1061493028.db2.gz SAJKLQZWKFNFIF-JOCHJYFZSA-N 1 1 482.677 2.579 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001289825229 1061495140 /nfs/dbraw/zinc/49/51/40/1061495140.db2.gz XMRBZTBLGYNCCQ-OAQYLSRUSA-N 1 1 454.619 2.873 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286916096 1061497361 /nfs/dbraw/zinc/49/73/61/1061497361.db2.gz FHRAINANXJZTMI-SFHVURJKSA-N 1 1 488.608 2.773 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286916096 1061497373 /nfs/dbraw/zinc/49/73/73/1061497373.db2.gz FHRAINANXJZTMI-SFHVURJKSA-N 1 1 488.608 2.773 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289827704 1061503420 /nfs/dbraw/zinc/50/34/20/1061503420.db2.gz JVCXORXLAPBWRP-JTHBVZDNSA-N 1 1 457.619 2.995 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286918262 1061505143 /nfs/dbraw/zinc/50/51/43/1061505143.db2.gz BTJMRXNBPVIJGY-NRFANRHFSA-N 1 1 453.635 2.737 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286918329 1061505653 /nfs/dbraw/zinc/50/56/53/1061505653.db2.gz KPBLWJBMZYIZOE-JOCHJYFZSA-N 1 1 454.619 2.715 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286918809 1061507785 /nfs/dbraw/zinc/50/77/85/1061507785.db2.gz CVSLNEGHUICBAV-UHFFFAOYSA-N 1 1 484.645 2.690 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286919091 1061508392 /nfs/dbraw/zinc/50/83/92/1061508392.db2.gz MDKBSVJOBNUYHX-LJQANCHMSA-N 1 1 459.664 2.859 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286919427 1061509829 /nfs/dbraw/zinc/50/98/29/1061509829.db2.gz PBVCFYSGQLJEIR-IBGZPJMESA-N 1 1 453.635 2.879 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286920249 1061512974 /nfs/dbraw/zinc/51/29/74/1061512974.db2.gz SFUFOWMGCXNHSV-UHFFFAOYSA-N 1 1 468.646 2.669 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286920249 1061512991 /nfs/dbraw/zinc/51/29/91/1061512991.db2.gz SFUFOWMGCXNHSV-UHFFFAOYSA-N 1 1 468.646 2.669 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1C ZINC001289836115 1061513305 /nfs/dbraw/zinc/51/33/05/1061513305.db2.gz ROVANVKSMRXRKQ-BWKNWUBXSA-N 1 1 484.689 2.955 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286923943 1061528384 /nfs/dbraw/zinc/52/83/84/1061528384.db2.gz UEONACUYCSPXEB-ICSRJNTNSA-N 1 1 454.623 2.598 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001286924607 1061531005 /nfs/dbraw/zinc/53/10/05/1061531005.db2.gz BJGMUAITKIKSLY-XZOQPEGZSA-N 1 1 470.666 2.613 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924619 1061531669 /nfs/dbraw/zinc/53/16/69/1061531669.db2.gz BODFHBXKSKIZKX-ZCYQVOJMSA-N 1 1 498.672 2.875 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001289862518 1061545205 /nfs/dbraw/zinc/54/52/05/1061545205.db2.gz IKNQSRZWTZOHQA-LEWJYISDSA-N 1 1 486.686 2.783 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001289868451 1061550649 /nfs/dbraw/zinc/55/06/49/1061550649.db2.gz RFWWSFPEJAHKFV-AREMUKBSSA-N 1 1 499.729 2.854 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286929664 1061551927 /nfs/dbraw/zinc/55/19/27/1061551927.db2.gz QAZUNEQPWLHHRI-JTHBVZDNSA-N 1 1 468.646 2.984 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001286931522 1061557855 /nfs/dbraw/zinc/55/78/55/1061557855.db2.gz YELWIWBTCCAIDX-QHCPKHFHSA-N 1 1 496.635 2.763 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CCO1 ZINC001286936152 1061577290 /nfs/dbraw/zinc/57/72/90/1061577290.db2.gz BLBBVFWUVNXLCG-KNQAVFIVSA-N 1 1 481.601 2.581 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC[N@H+]1CCOC ZINC001294098805 1061578621 /nfs/dbraw/zinc/57/86/21/1061578621.db2.gz KYGFOUVSJDYBCL-OLROQXJNSA-N 1 1 493.693 2.674 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294104396 1061584234 /nfs/dbraw/zinc/58/42/34/1061584234.db2.gz ONRVJIFMEDGQPV-SLFFLAALSA-N 1 1 488.599 2.951 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294104400 1061584508 /nfs/dbraw/zinc/58/45/08/1061584508.db2.gz ONRVJIFMEDGQPV-XUVXKRRUSA-N 1 1 488.599 2.951 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001289901947 1061588086 /nfs/dbraw/zinc/58/80/86/1061588086.db2.gz NQNUGVFYMXFXLL-OAQYLSRUSA-N 1 1 495.672 2.865 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294106563 1061589501 /nfs/dbraw/zinc/58/95/01/1061589501.db2.gz PHUJHZLGXLVEHT-HXUWFJFHSA-N 1 1 476.666 2.558 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294106563 1061589525 /nfs/dbraw/zinc/58/95/25/1061589525.db2.gz PHUJHZLGXLVEHT-HXUWFJFHSA-N 1 1 476.666 2.558 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001289912782 1061604750 /nfs/dbraw/zinc/60/47/50/1061604750.db2.gz MWMLEMGCZCAMTN-NRFANRHFSA-N 1 1 499.566 2.848 20 0 JFADMO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001294137340 1061621806 /nfs/dbraw/zinc/62/18/06/1061621806.db2.gz LYQHQDSKDSIXLC-IFMALSPDSA-N 1 1 490.674 2.512 20 0 JFADMO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001294138494 1061623882 /nfs/dbraw/zinc/62/38/82/1061623882.db2.gz RYPPYBUZOBMBLQ-SFTDATJTSA-N 1 1 492.665 2.935 20 0 JFADMO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294140203 1061627489 /nfs/dbraw/zinc/62/74/89/1061627489.db2.gz ZEFFHKWOLREWIV-VQTJNVASSA-N 1 1 480.654 2.934 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286947300 1061642148 /nfs/dbraw/zinc/64/21/48/1061642148.db2.gz SXENEOQBAZCBGY-WMZHIEFXSA-N 1 1 482.654 2.792 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001294166436 1061662107 /nfs/dbraw/zinc/66/21/07/1061662107.db2.gz NZLFZMQGHDENOM-NRFANRHFSA-N 1 1 487.693 2.874 20 0 JFADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)C1 ZINC001294178162 1061691762 /nfs/dbraw/zinc/69/17/62/1061691762.db2.gz UEEIONNHXLMDMD-PGRDOPGGSA-N 1 1 455.521 2.961 20 0 JFADMO CN(CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001294188728 1061697482 /nfs/dbraw/zinc/69/74/82/1061697482.db2.gz FKTRGVJTAYLGNV-FQEVSTJZSA-N 1 1 454.596 2.580 20 0 JFADMO CCCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001294189463 1061699503 /nfs/dbraw/zinc/69/95/03/1061699503.db2.gz KAXWTJNOIVSIRY-UHFFFAOYSA-N 1 1 463.652 2.585 20 0 JFADMO CCCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001294189463 1061699525 /nfs/dbraw/zinc/69/95/25/1061699525.db2.gz KAXWTJNOIVSIRY-UHFFFAOYSA-N 1 1 463.652 2.585 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001294195303 1061703677 /nfs/dbraw/zinc/70/36/77/1061703677.db2.gz AUDKHHPLWRNASX-UGKGYDQZSA-N 1 1 470.618 2.970 20 0 JFADMO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001294196965 1061704618 /nfs/dbraw/zinc/70/46/18/1061704618.db2.gz SOVCVUHWXDXBMN-HXUWFJFHSA-N 1 1 493.697 2.849 20 0 JFADMO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001294196965 1061704639 /nfs/dbraw/zinc/70/46/39/1061704639.db2.gz SOVCVUHWXDXBMN-HXUWFJFHSA-N 1 1 493.697 2.849 20 0 JFADMO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001294196965 1061704668 /nfs/dbraw/zinc/70/46/68/1061704668.db2.gz SOVCVUHWXDXBMN-HXUWFJFHSA-N 1 1 493.697 2.849 20 0 JFADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294204507 1061708877 /nfs/dbraw/zinc/70/88/77/1061708877.db2.gz JXONGZVKONWFRU-KRWDZBQOSA-N 1 1 459.568 2.672 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccccn2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286955208 1061708941 /nfs/dbraw/zinc/70/89/41/1061708941.db2.gz MJPRZJVOWPYOJE-SFHVURJKSA-N 1 1 483.642 2.573 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccn2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001286955868 1061711811 /nfs/dbraw/zinc/71/18/11/1061711811.db2.gz YHWOCCPECGATNX-SFHVURJKSA-N 1 1 485.658 2.517 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C3CCC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001294209090 1061712553 /nfs/dbraw/zinc/71/25/53/1061712553.db2.gz OHZBWWAFTRRQLI-UHFFFAOYSA-N 1 1 452.669 2.529 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001289987993 1061713445 /nfs/dbraw/zinc/71/34/45/1061713445.db2.gz FVVBRDKWJPVRAV-MJGOQNOKSA-N 1 1 468.524 2.653 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001294210552 1061714704 /nfs/dbraw/zinc/71/47/04/1061714704.db2.gz LWVGQMIHNNYISX-NBGIEHNGSA-N 1 1 460.667 2.900 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289990646 1061714711 /nfs/dbraw/zinc/71/47/11/1061714711.db2.gz BATCGJAZCPQZHY-FGZHOGPDSA-N 1 1 472.634 2.636 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289990651 1061714849 /nfs/dbraw/zinc/71/48/49/1061714849.db2.gz BATCGJAZCPQZHY-VXKWHMMOSA-N 1 1 472.634 2.636 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001294210521 1061714941 /nfs/dbraw/zinc/71/49/41/1061714941.db2.gz LELVWQUUBJNWRT-FQEVSTJZSA-N 1 1 455.607 2.910 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001294210551 1061714985 /nfs/dbraw/zinc/71/49/85/1061714985.db2.gz LWVGQMIHNNYISX-CPJSRVTESA-N 1 1 460.667 2.900 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(C)=O)CC1 ZINC001294214655 1061723901 /nfs/dbraw/zinc/72/39/01/1061723901.db2.gz KJLFKCOOIBPVFX-UHFFFAOYSA-N 1 1 466.428 2.873 20 0 JFADMO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294215087 1061724273 /nfs/dbraw/zinc/72/42/73/1061724273.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 1 1 490.722 2.809 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294215087 1061724294 /nfs/dbraw/zinc/72/42/94/1061724294.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 1 1 490.722 2.809 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000633 1061724370 /nfs/dbraw/zinc/72/43/70/1061724370.db2.gz GDCCJYRKEHUVHK-DHIUTWEWSA-N 1 1 495.672 2.661 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294215902 1061724745 /nfs/dbraw/zinc/72/47/45/1061724745.db2.gz WOLITVTZGDYVRZ-AWEZNQCLSA-N 1 1 453.385 2.767 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001294218459 1061729492 /nfs/dbraw/zinc/72/94/92/1061729492.db2.gz RBGLVQGQMQDUEZ-HXUWFJFHSA-N 1 1 455.563 2.955 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294219385 1061730126 /nfs/dbraw/zinc/73/01/26/1061730126.db2.gz YJVGXQHEHWUPLY-ICSRJNTNSA-N 1 1 459.547 2.808 20 0 JFADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC001294220444 1061732011 /nfs/dbraw/zinc/73/20/11/1061732011.db2.gz SEEADODUWAKKSL-QGZVFWFLSA-N 1 1 459.568 2.527 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001294222008 1061732683 /nfs/dbraw/zinc/73/26/83/1061732683.db2.gz ZYCDARROJJLSIK-LJQANCHMSA-N 1 1 467.574 2.538 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294225063 1061735722 /nfs/dbraw/zinc/73/57/22/1061735722.db2.gz ACAKUQGSOOUKAL-CLOONOSVSA-N 1 1 491.681 2.826 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225589 1061737553 /nfs/dbraw/zinc/73/75/53/1061737553.db2.gz GEMZZINDWWTNCB-RTBURBONSA-N 1 1 450.628 2.865 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294226344 1061738723 /nfs/dbraw/zinc/73/87/23/1061738723.db2.gz SYYHMZZIWYUYAY-PMACEKPBSA-N 1 1 492.665 2.766 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294228268 1061743074 /nfs/dbraw/zinc/74/30/74/1061743074.db2.gz LZAMUGGUGQTOOA-UHFFFAOYSA-N 1 1 466.634 2.934 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294228580 1061743950 /nfs/dbraw/zinc/74/39/50/1061743950.db2.gz QDAIEOSYOXQXTB-RUZDIDTESA-N 1 1 485.608 2.554 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001294228661 1061744166 /nfs/dbraw/zinc/74/41/66/1061744166.db2.gz GKQPGZWKBWGECQ-UHFFFAOYSA-N 1 1 487.722 2.875 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294230014 1061746352 /nfs/dbraw/zinc/74/63/52/1061746352.db2.gz SSBWHRHTEVYSEA-LEWJYISDSA-N 1 1 458.582 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001294230007 1061746637 /nfs/dbraw/zinc/74/66/37/1061746637.db2.gz SOWFTTKXMLQELU-UHFFFAOYSA-N 1 1 496.635 2.973 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294230040 1061747316 /nfs/dbraw/zinc/74/73/16/1061747316.db2.gz UDKHCUNOLAPQQH-UHFFFAOYSA-N 1 1 479.629 2.862 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290042033 1061759070 /nfs/dbraw/zinc/75/90/70/1061759070.db2.gz ZILAHRZZJXMLRM-OYRHEFFESA-N 1 1 497.688 2.852 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cc1 ZINC001290042142 1061759159 /nfs/dbraw/zinc/75/91/59/1061759159.db2.gz AUXHMUKMLAJPSF-HNNXBMFYSA-N 1 1 458.588 2.556 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001290047451 1061767363 /nfs/dbraw/zinc/76/73/63/1061767363.db2.gz RUKMDFFZUYJKPD-IBGZPJMESA-N 1 1 451.575 2.585 20 0 JFADMO COC(=O)c1ccccc1CC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC001294289581 1061775955 /nfs/dbraw/zinc/77/59/55/1061775955.db2.gz CLVHAZMCULPVNY-UHFFFAOYSA-N 1 1 454.552 2.904 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001286976330 1061783362 /nfs/dbraw/zinc/78/33/62/1061783362.db2.gz DEIRSKQUWCELBO-QWFCFKBJSA-N 1 1 475.663 2.790 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290062961 1061786732 /nfs/dbraw/zinc/78/67/32/1061786732.db2.gz RRUBRKZWTVHETQ-TZIWHRDSSA-N 1 1 461.632 2.521 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCC1 ZINC001286976910 1061786790 /nfs/dbraw/zinc/78/67/90/1061786790.db2.gz KEOHYUJWUPUWLR-OALUTQOASA-N 1 1 458.632 2.635 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294306115 1061793363 /nfs/dbraw/zinc/79/33/63/1061793363.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 1 1 489.709 2.716 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001294306735 1061794239 /nfs/dbraw/zinc/79/42/39/1061794239.db2.gz COZGMCXFYLETMX-QKNQBKEWSA-N 1 1 494.662 2.714 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294307823 1061794712 /nfs/dbraw/zinc/79/47/12/1061794712.db2.gz FOFWTJVKVQLYCU-OAQYLSRUSA-N 1 1 471.650 2.711 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCC(C)(C)O)c1 ZINC001290069691 1061795433 /nfs/dbraw/zinc/79/54/33/1061795433.db2.gz QFIMNQHLWMJNRB-UHFFFAOYSA-N 1 1 467.618 2.772 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286978078 1061795929 /nfs/dbraw/zinc/79/59/29/1061795929.db2.gz ULIXANRIWQMMSF-LVCYWYKZSA-N 1 1 460.648 2.539 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001286978078 1061795951 /nfs/dbraw/zinc/79/59/51/1061795951.db2.gz ULIXANRIWQMMSF-LVCYWYKZSA-N 1 1 460.648 2.539 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294308484 1061796115 /nfs/dbraw/zinc/79/61/15/1061796115.db2.gz LJZPCBVIULYFKA-FQEVSTJZSA-N 1 1 478.663 2.973 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001294308580 1061796382 /nfs/dbraw/zinc/79/63/82/1061796382.db2.gz SCVLSGAPCJBXRP-FPOVZHCZSA-N 1 1 473.666 2.566 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294308486 1061796736 /nfs/dbraw/zinc/79/67/36/1061796736.db2.gz LJZPCBVIULYFKA-HXUWFJFHSA-N 1 1 478.663 2.973 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294308588 1061797273 /nfs/dbraw/zinc/79/72/73/1061797273.db2.gz SFQJUEHIPGNVNN-LZBANZJXSA-N 1 1 475.682 2.954 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCC[NH+]2CCOCC2)c1 ZINC001290071396 1061797530 /nfs/dbraw/zinc/79/75/30/1061797530.db2.gz LFVQFQOJASZGMK-UHFFFAOYSA-N 1 1 499.660 2.518 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309613 1061800032 /nfs/dbraw/zinc/80/00/32/1061800032.db2.gz CBEQXKWVKIALHN-RBUKOAKNSA-N 1 1 450.653 2.808 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286978555 1061800192 /nfs/dbraw/zinc/80/01/92/1061800192.db2.gz VVFPAKSOSGPYKF-WOIUINJBSA-N 1 1 489.686 2.877 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001286978555 1061800219 /nfs/dbraw/zinc/80/02/19/1061800219.db2.gz VVFPAKSOSGPYKF-WOIUINJBSA-N 1 1 489.686 2.877 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311803 1061803057 /nfs/dbraw/zinc/80/30/57/1061803057.db2.gz OSDAYWAZBVOMET-UNMCSNQZSA-N 1 1 496.722 2.735 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294314649 1061806122 /nfs/dbraw/zinc/80/61/22/1061806122.db2.gz HTURPLDINZAJJN-HLAWJBBLSA-N 1 1 490.674 2.649 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001294315532 1061807683 /nfs/dbraw/zinc/80/76/83/1061807683.db2.gz KCEATAXXNZNBKU-XRXFAXGQSA-N 1 1 467.680 2.839 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001294315555 1061807764 /nfs/dbraw/zinc/80/77/64/1061807764.db2.gz KHOWUEXXWBTYAK-JOCHJYFZSA-N 1 1 459.683 2.630 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294316767 1061811229 /nfs/dbraw/zinc/81/12/29/1061811229.db2.gz RIDDPBSYGKKNJE-QFIPXVFZSA-N 1 1 453.635 2.977 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001294317915 1061816555 /nfs/dbraw/zinc/81/65/55/1061816555.db2.gz YYSHYZZWVAYVIT-FQEVSTJZSA-N 1 1 456.639 2.718 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294318968 1061820460 /nfs/dbraw/zinc/82/04/60/1061820460.db2.gz XPELATLUQKFFJR-FCHUYYIVSA-N 1 1 487.693 2.796 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294319413 1061821838 /nfs/dbraw/zinc/82/18/38/1061821838.db2.gz ZIUZISXVZREZMK-BKSPAHHJSA-N 1 1 476.666 2.640 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294319702 1061822719 /nfs/dbraw/zinc/82/27/19/1061822719.db2.gz CRLNPKFBZIQPPI-JDRJUVJTSA-N 1 1 484.645 2.542 20 0 JFADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001290091577 1061823495 /nfs/dbraw/zinc/82/34/95/1061823495.db2.gz CILJBJONXHUKKH-MOPGFXCFSA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOCC1(C)C ZINC001290091577 1061823514 /nfs/dbraw/zinc/82/35/14/1061823514.db2.gz CILJBJONXHUKKH-MOPGFXCFSA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCCCS(C)(=O)=O ZINC001290117637 1061844687 /nfs/dbraw/zinc/84/46/87/1061844687.db2.gz PHQFAVBAFRYZJS-OAQYLSRUSA-N 1 1 475.659 2.627 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294330797 1061851055 /nfs/dbraw/zinc/85/10/55/1061851055.db2.gz ANZBLNVHXNQDTA-GMAHTHKFSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294330797 1061851067 /nfs/dbraw/zinc/85/10/67/1061851067.db2.gz ANZBLNVHXNQDTA-GMAHTHKFSA-N 1 1 497.688 2.896 20 0 JFADMO CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001286985740 1061856773 /nfs/dbraw/zinc/85/67/73/1061856773.db2.gz BFDUMQOQFQBLPW-LJQANCHMSA-N 1 1 458.582 2.833 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290127976 1061858190 /nfs/dbraw/zinc/85/81/90/1061858190.db2.gz JWZTWTOOIOZOCM-NRFANRHFSA-N 1 1 470.618 2.889 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290127976 1061858212 /nfs/dbraw/zinc/85/82/12/1061858212.db2.gz JWZTWTOOIOZOCM-NRFANRHFSA-N 1 1 470.618 2.889 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2CCCn2cc[nH+]c2C)C1 ZINC001294332145 1061858167 /nfs/dbraw/zinc/85/81/67/1061858167.db2.gz XSKBHAXATQNWAW-NRSPTQNISA-N 1 1 457.623 2.898 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)cc2)CC1 ZINC001294332468 1061860091 /nfs/dbraw/zinc/86/00/91/1061860091.db2.gz NCFFFKHXVDPQKA-UHFFFAOYSA-N 1 1 457.600 2.625 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131203 1061865216 /nfs/dbraw/zinc/86/52/16/1061865216.db2.gz DSLHHZMFISWQFC-GDBMZVCRSA-N 1 1 455.386 2.723 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131204 1061865236 /nfs/dbraw/zinc/86/52/36/1061865236.db2.gz DSLHHZMFISWQFC-GOEBONIOSA-N 1 1 455.386 2.723 20 0 JFADMO CC(C)(C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001286988318 1061875493 /nfs/dbraw/zinc/87/54/93/1061875493.db2.gz OUFUIJUPBKNNGZ-QFIPXVFZSA-N 1 1 484.645 2.883 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001294341772 1061890045 /nfs/dbraw/zinc/89/00/45/1061890045.db2.gz JZVAMEUGQYSRPE-CTNGQTDRSA-N 1 1 456.639 2.686 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001290152452 1061894133 /nfs/dbraw/zinc/89/41/33/1061894133.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 1 1 452.647 2.986 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290164742 1061906107 /nfs/dbraw/zinc/90/61/07/1061906107.db2.gz WKZKLCXEVOTUQS-QHCPKHFHSA-N 1 1 468.646 2.626 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCC[N@H+](C)C(C)C ZINC001290166205 1061909244 /nfs/dbraw/zinc/90/92/44/1061909244.db2.gz ZFYRHMBLWIUVOW-JOCHJYFZSA-N 1 1 453.635 2.948 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCOCC(F)(F)C(F)F ZINC001286998111 1061910565 /nfs/dbraw/zinc/91/05/65/1061910565.db2.gz KRNUFOIMSIKCGS-OAHLLOKOSA-N 1 1 451.509 2.651 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001290167777 1061910972 /nfs/dbraw/zinc/91/09/72/1061910972.db2.gz RSZIYNVAGJWOTG-OAQYLSRUSA-N 1 1 485.658 2.538 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294349008 1061912715 /nfs/dbraw/zinc/91/27/15/1061912715.db2.gz MTTGHSUOIHWVMQ-NHCUHLMSSA-N 1 1 487.693 2.654 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001294349328 1061913929 /nfs/dbraw/zinc/91/39/29/1061913929.db2.gz OPEMZJAVVHVNJC-HXUWFJFHSA-N 1 1 482.633 2.542 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287001043 1061916237 /nfs/dbraw/zinc/91/62/37/1061916237.db2.gz KTPZIQSKWOUVFD-UHFFFAOYSA-N 1 1 454.619 2.697 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287001692 1061918974 /nfs/dbraw/zinc/91/89/74/1061918974.db2.gz WTGLPOFVORVRFV-HXUWFJFHSA-N 1 1 456.639 2.683 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290174368 1061919725 /nfs/dbraw/zinc/91/97/25/1061919725.db2.gz MOKBRRYSXWMEMR-DEOSSOPVSA-N 1 1 495.716 2.944 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1 ZINC001287006539 1061927280 /nfs/dbraw/zinc/92/72/80/1061927280.db2.gz FVIAPCDWOPDNCT-UHFFFAOYSA-N 1 1 454.619 2.789 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccccc1 ZINC001287006539 1061927295 /nfs/dbraw/zinc/92/72/95/1061927295.db2.gz FVIAPCDWOPDNCT-UHFFFAOYSA-N 1 1 454.619 2.789 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001287006546 1061927339 /nfs/dbraw/zinc/92/73/39/1061927339.db2.gz GCOOQJLGYSYZGM-FQEVSTJZSA-N 1 1 466.696 2.844 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001287006588 1061927775 /nfs/dbraw/zinc/92/77/75/1061927775.db2.gz HGKHKMRTKWNNTF-SANMLTNESA-N 1 1 486.636 2.757 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001287006588 1061927797 /nfs/dbraw/zinc/92/77/97/1061927797.db2.gz HGKHKMRTKWNNTF-SANMLTNESA-N 1 1 486.636 2.757 20 0 JFADMO Cc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[NH+]1CCOCC1 ZINC001290189488 1061933180 /nfs/dbraw/zinc/93/31/80/1061933180.db2.gz KKQMRYRTFMRXSX-RUZDIDTESA-N 1 1 457.619 2.986 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCO1 ZINC001287009960 1061939554 /nfs/dbraw/zinc/93/95/54/1061939554.db2.gz ZLORWWJSJJSFLZ-IFMALSPDSA-N 1 1 457.619 2.707 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290200164 1061941766 /nfs/dbraw/zinc/94/17/66/1061941766.db2.gz REFROKPBARNDQR-VQTJNVASSA-N 1 1 492.690 2.975 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290200162 1061941914 /nfs/dbraw/zinc/94/19/14/1061941914.db2.gz REFROKPBARNDQR-PMACEKPBSA-N 1 1 492.690 2.975 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(CCc3cccs3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287012215 1061944519 /nfs/dbraw/zinc/94/45/19/1061944519.db2.gz WWMMMKUXURTWTN-UHFFFAOYSA-N 1 1 460.692 2.849 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290204724 1061948424 /nfs/dbraw/zinc/94/84/24/1061948424.db2.gz NNGHMNFQJCLDFP-FGZHOGPDSA-N 1 1 468.646 2.995 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(Cn3ccnn3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287023116 1061964251 /nfs/dbraw/zinc/96/42/51/1061964251.db2.gz GPAFDIWNUASFGA-OAQYLSRUSA-N 1 1 458.655 2.612 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287025349 1061969066 /nfs/dbraw/zinc/96/90/66/1061969066.db2.gz JQPOAXUZKXYBPN-OFVILXPXSA-N 1 1 459.610 2.951 20 0 JFADMO CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294410049 1061977080 /nfs/dbraw/zinc/97/70/80/1061977080.db2.gz GQEVXKRJUZDTQL-JOCHJYFZSA-N 1 1 472.609 2.568 20 0 JFADMO CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001290230329 1061978855 /nfs/dbraw/zinc/97/88/55/1061978855.db2.gz YKPYCNFFMJFFLK-JOCHJYFZSA-N 1 1 452.603 2.864 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287030067 1061980286 /nfs/dbraw/zinc/98/02/86/1061980286.db2.gz IPAMUMXJXPSDRF-VXKWHMMOSA-N 1 1 468.646 2.860 20 0 JFADMO CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001290237393 1061983283 /nfs/dbraw/zinc/98/32/83/1061983283.db2.gz OTDUCLGIORZGIM-BJKOFHAPSA-N 1 1 469.029 2.788 20 0 JFADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001294418617 1061983677 /nfs/dbraw/zinc/98/36/77/1061983677.db2.gz IRMPRSXRZCLAAF-SFHVURJKSA-N 1 1 477.679 2.894 20 0 JFADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001294419709 1061984562 /nfs/dbraw/zinc/98/45/62/1061984562.db2.gz UNBGRTRAESBVLG-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001294419709 1061984585 /nfs/dbraw/zinc/98/45/85/1061984585.db2.gz UNBGRTRAESBVLG-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001287032408 1061986605 /nfs/dbraw/zinc/98/66/05/1061986605.db2.gz QQDUCDVXZPOGMT-UHFFFAOYSA-N 1 1 478.592 2.641 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001287032408 1061986627 /nfs/dbraw/zinc/98/66/27/1061986627.db2.gz QQDUCDVXZPOGMT-UHFFFAOYSA-N 1 1 478.592 2.641 20 0 JFADMO CC1=CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001290249850 1061988091 /nfs/dbraw/zinc/98/80/91/1061988091.db2.gz ATCWZQLJIPUFPP-QFIPXVFZSA-N 1 1 452.603 2.578 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC001290270839 1062000373 /nfs/dbraw/zinc/00/03/73/1062000373.db2.gz DVSAMBFPOMPLBI-NJDAHSKKSA-N 1 1 486.665 2.651 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001294455070 1062001373 /nfs/dbraw/zinc/00/13/73/1062001373.db2.gz CBTUTHUNRWDPGZ-WBVHZDCISA-N 1 1 467.412 2.619 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001287036241 1062002323 /nfs/dbraw/zinc/00/23/23/1062002323.db2.gz VBMBKUMEHPYCBE-OAQYLSRUSA-N 1 1 460.667 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457559 1062005148 /nfs/dbraw/zinc/00/51/48/1062005148.db2.gz NZMPLLDDJCHAHX-QZTJIDSGSA-N 1 1 456.570 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)C1 ZINC001294458616 1062005930 /nfs/dbraw/zinc/00/59/30/1062005930.db2.gz QMKCWSBEOGONSW-WMZOPIPTSA-N 1 1 481.439 2.630 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 ZINC001294459671 1062006977 /nfs/dbraw/zinc/00/69/77/1062006977.db2.gz VQTCFLYPKUITTJ-IMWIBFENSA-N 1 1 461.582 2.877 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 ZINC001294459672 1062007213 /nfs/dbraw/zinc/00/72/13/1062007213.db2.gz VQTCFLYPKUITTJ-JXQFQVJHSA-N 1 1 461.582 2.877 20 0 JFADMO Cc1cnn(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001290278766 1062007770 /nfs/dbraw/zinc/00/77/70/1062007770.db2.gz BVKQCMBKXYPTDY-UHFFFAOYSA-N 1 1 473.025 2.993 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)CC1 ZINC001287041338 1062008685 /nfs/dbraw/zinc/00/86/85/1062008685.db2.gz IVCSBLHCPKWNRF-QZTJIDSGSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001294464894 1062014519 /nfs/dbraw/zinc/01/45/19/1062014519.db2.gz ZCSAHUHFVFAUPI-GOSISDBHSA-N 1 1 460.627 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467346 1062015500 /nfs/dbraw/zinc/01/55/00/1062015500.db2.gz FMSYTYDXXPRYTN-MSOLQXFVSA-N 1 1 477.654 2.701 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287043958 1062017690 /nfs/dbraw/zinc/01/76/90/1062017690.db2.gz BYCZKDXOEHUMQE-FQEVSTJZSA-N 1 1 475.659 2.957 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468084 1062018335 /nfs/dbraw/zinc/01/83/35/1062018335.db2.gz KJZLOKKXOPSOJI-MOPGFXCFSA-N 1 1 453.653 2.655 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468087 1062018491 /nfs/dbraw/zinc/01/84/91/1062018491.db2.gz KJZLOKKXOPSOJI-RTBURBONSA-N 1 1 453.653 2.655 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468245 1062019038 /nfs/dbraw/zinc/01/90/38/1062019038.db2.gz LIHRDKUIBQAHAD-TZIWHRDSSA-N 1 1 475.659 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468769 1062019376 /nfs/dbraw/zinc/01/93/76/1062019376.db2.gz PUDHIOJYRNDOBS-RBUKOAKNSA-N 1 1 478.688 2.514 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468767 1062019708 /nfs/dbraw/zinc/01/97/08/1062019708.db2.gz PUDHIOJYRNDOBS-MOPGFXCFSA-N 1 1 478.688 2.514 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(=O)N(C)C)C1 ZINC001294468976 1062019939 /nfs/dbraw/zinc/01/99/39/1062019939.db2.gz SFSJMZXGFITEHY-SFHVURJKSA-N 1 1 480.617 2.630 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001294469031 1062020077 /nfs/dbraw/zinc/02/00/77/1062020077.db2.gz TWMPALKYUWROAB-FCHUYYIVSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469078 1062020548 /nfs/dbraw/zinc/02/05/48/1062020548.db2.gz UICNOLMJQXBMMH-YADHBBJMSA-N 1 1 459.660 2.899 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287045194 1062021658 /nfs/dbraw/zinc/02/16/58/1062021658.db2.gz JQVAOHLYOXPUIE-VWLOTQADSA-N 1 1 490.599 2.753 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)cc(OC)c2)C1 ZINC001294469522 1062022285 /nfs/dbraw/zinc/02/22/85/1062022285.db2.gz AJSJAXMQTWYUKN-HXUWFJFHSA-N 1 1 454.619 2.934 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001294469600 1062022378 /nfs/dbraw/zinc/02/23/78/1062022378.db2.gz CCISUUPYRYGMSW-CJFMBICVSA-N 1 1 454.619 2.812 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nccs2)C1 ZINC001294472271 1062026361 /nfs/dbraw/zinc/02/63/61/1062026361.db2.gz VAICDIUVJJPOBQ-MRXNPFEDSA-N 1 1 459.645 2.943 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287046125 1062027129 /nfs/dbraw/zinc/02/71/29/1062027129.db2.gz OSHMKKTZKQEZCP-IBGZPJMESA-N 1 1 461.632 2.567 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287046266 1062027617 /nfs/dbraw/zinc/02/76/17/1062027617.db2.gz RWNGLHDMUQCJRW-GOSISDBHSA-N 1 1 490.599 2.753 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC001287046562 1062029318 /nfs/dbraw/zinc/02/93/18/1062029318.db2.gz UHLWAKKHNNWJHO-UHFFFAOYSA-N 1 1 495.672 2.585 20 0 JFADMO Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001290306867 1062033455 /nfs/dbraw/zinc/03/34/55/1062033455.db2.gz FMYVVLMXPLUFIV-IBGZPJMESA-N 1 1 463.648 2.997 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287048306 1062037147 /nfs/dbraw/zinc/03/71/47/1062037147.db2.gz UGSJBHFDWOOSOW-TUNNFDKTSA-N 1 1 490.693 2.660 20 0 JFADMO Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290316130 1062039580 /nfs/dbraw/zinc/03/95/80/1062039580.db2.gz SMMCVZBFYWEYHT-KRWDZBQOSA-N 1 1 475.663 2.630 20 0 JFADMO Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290316130 1062039603 /nfs/dbraw/zinc/03/96/03/1062039603.db2.gz SMMCVZBFYWEYHT-KRWDZBQOSA-N 1 1 475.663 2.630 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294505155 1062040209 /nfs/dbraw/zinc/04/02/09/1062040209.db2.gz HHDDVVIRSVMNKK-IBGZPJMESA-N 1 1 455.607 2.581 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001294505475 1062040836 /nfs/dbraw/zinc/04/08/36/1062040836.db2.gz JWZSKNXXWMMMDP-ROUUACIJSA-N 1 1 460.554 2.930 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001294505476 1062040870 /nfs/dbraw/zinc/04/08/70/1062040870.db2.gz JWZSKNXXWMMMDP-ZWKOTPCHSA-N 1 1 460.554 2.930 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294505446 1062040944 /nfs/dbraw/zinc/04/09/44/1062040944.db2.gz JFMKFMOTJCSAQM-DEOSSOPVSA-N 1 1 455.607 2.581 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001294505810 1062042307 /nfs/dbraw/zinc/04/23/07/1062042307.db2.gz OBGRJBOJGKXZHZ-UHFFFAOYSA-N 1 1 481.645 2.517 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001294506151 1062043115 /nfs/dbraw/zinc/04/31/15/1062043115.db2.gz QTQQOTDWEDRLNC-LJQANCHMSA-N 1 1 490.674 2.646 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001294506277 1062043661 /nfs/dbraw/zinc/04/36/61/1062043661.db2.gz IVQRLRJXRKNPGV-UHFFFAOYSA-N 1 1 464.412 2.579 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294506498 1062044494 /nfs/dbraw/zinc/04/44/94/1062044494.db2.gz KKRWGOZXBCTSOI-QHCPKHFHSA-N 1 1 461.632 2.701 20 0 JFADMO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 ZINC001294509942 1062046475 /nfs/dbraw/zinc/04/64/75/1062046475.db2.gz LHQXWIVSVWPDJU-OAQYLSRUSA-N 1 1 457.596 2.873 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001294514118 1062048683 /nfs/dbraw/zinc/04/86/83/1062048683.db2.gz NGUXCYVIQHEAHQ-FQEVSTJZSA-N 1 1 471.581 2.583 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294515464 1062051549 /nfs/dbraw/zinc/05/15/49/1062051549.db2.gz GURIFXZYYIQZJX-LJQANCHMSA-N 1 1 494.644 2.635 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294516262 1062053379 /nfs/dbraw/zinc/05/33/79/1062053379.db2.gz QHUOEPMSDINASJ-AZUAARDMSA-N 1 1 457.598 2.815 20 0 JFADMO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053693 /nfs/dbraw/zinc/05/36/93/1062053693.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 1 1 453.635 2.672 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053717 /nfs/dbraw/zinc/05/37/17/1062053717.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 1 1 453.635 2.672 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001294518889 1062054757 /nfs/dbraw/zinc/05/47/57/1062054757.db2.gz BNXHGPVVQYWSNG-LJQANCHMSA-N 1 1 458.582 2.896 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290335786 1062055168 /nfs/dbraw/zinc/05/51/68/1062055168.db2.gz BVLDIUNAYARIFY-WMZOPIPTSA-N 1 1 451.662 2.918 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 ZINC001294521457 1062057162 /nfs/dbraw/zinc/05/71/62/1062057162.db2.gz NIOUXXCJQLWWHJ-IBGZPJMESA-N 1 1 489.621 2.869 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001294521463 1062057375 /nfs/dbraw/zinc/05/73/75/1062057375.db2.gz NKAUQRXBBLBKNW-RTBURBONSA-N 1 1 461.611 2.988 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001294522584 1062058487 /nfs/dbraw/zinc/05/84/87/1062058487.db2.gz GMDXDKBIBUSKFN-GOSISDBHSA-N 1 1 456.591 2.540 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001294522882 1062058695 /nfs/dbraw/zinc/05/86/95/1062058695.db2.gz WGHLZCLUXWSZRR-IPJJNNNSSA-N 1 1 459.591 2.763 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294523175 1062059119 /nfs/dbraw/zinc/05/91/19/1062059119.db2.gz XIDXTZHSDCLOIJ-YADHBBJMSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 ZINC001294523096 1062059343 /nfs/dbraw/zinc/05/93/43/1062059343.db2.gz WPBUMCAOOWRUBH-LJQANCHMSA-N 1 1 482.695 2.693 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001294524238 1062061401 /nfs/dbraw/zinc/06/14/01/1062061401.db2.gz PJMGHIDKSQZDEG-OAQYLSRUSA-N 1 1 453.595 2.514 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287053888 1062061609 /nfs/dbraw/zinc/06/16/09/1062061609.db2.gz JPZZZDRSRMAAAF-OAQYLSRUSA-N 1 1 476.666 2.915 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)OC)CC1 ZINC001294525617 1062062476 /nfs/dbraw/zinc/06/24/76/1062062476.db2.gz BWDJIMPSIIAZOA-UHFFFAOYSA-N 1 1 453.591 2.901 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001294524841 1062062613 /nfs/dbraw/zinc/06/26/13/1062062613.db2.gz SHZIAERVKFZBLS-IBGZPJMESA-N 1 1 496.081 2.730 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC(C)(C)C1 ZINC001294526346 1062062952 /nfs/dbraw/zinc/06/29/52/1062062952.db2.gz VZKZROXUNUPWNL-UHFFFAOYSA-N 1 1 455.636 2.985 20 0 JFADMO CCCN(CC1CC1)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294542009 1062073242 /nfs/dbraw/zinc/07/32/42/1062073242.db2.gz XESLJGAMMQXQNL-UHFFFAOYSA-N 1 1 492.466 2.837 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287056231 1062075345 /nfs/dbraw/zinc/07/53/45/1062075345.db2.gz ACSXLOHGAVQKBP-LJQANCHMSA-N 1 1 496.616 2.681 20 0 JFADMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC001290372214 1062075853 /nfs/dbraw/zinc/07/58/53/1062075853.db2.gz IBHVZXGXUXCDKS-KRWDZBQOSA-N 1 1 454.962 2.945 20 0 JFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC001294556571 1062077760 /nfs/dbraw/zinc/07/77/60/1062077760.db2.gz VONHRJQZQQWYBV-PMACEKPBSA-N 1 1 459.616 2.782 20 0 JFADMO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001294555872 1062077906 /nfs/dbraw/zinc/07/79/06/1062077906.db2.gz YODDJUBSMWKHEO-QHAWAJNXSA-N 1 1 459.587 2.956 20 0 JFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC001294556574 1062078069 /nfs/dbraw/zinc/07/80/69/1062078069.db2.gz VONHRJQZQQWYBV-WOJBJXKFSA-N 1 1 459.616 2.782 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287057440 1062081428 /nfs/dbraw/zinc/08/14/28/1062081428.db2.gz OKPAHCZIOKJCFX-WOJBJXKFSA-N 1 1 462.639 2.886 20 0 JFADMO Cc1nc([C@@H]2CN(c3nnc(-c4cc(Br)cn4C)n3CC[N@H+](C)C(C)C)CCO2)no1 ZINC001290381433 1062083344 /nfs/dbraw/zinc/08/33/44/1062083344.db2.gz ASWJXZCWUZZKBR-KRWDZBQOSA-N 1 1 493.410 2.656 20 0 JFADMO Cc1nc([C@H]2CN(c3nnc(-c4cc(Br)cn4C)n3CC[N@H+](C)C(C)C)CCO2)no1 ZINC001290381435 1062083428 /nfs/dbraw/zinc/08/34/28/1062083428.db2.gz ASWJXZCWUZZKBR-QGZVFWFLSA-N 1 1 493.410 2.656 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC001290388682 1062092329 /nfs/dbraw/zinc/09/23/29/1062092329.db2.gz UZCWQRZQPZUNCB-OALUTQOASA-N 1 1 450.678 2.812 20 0 JFADMO CCCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294583813 1062094864 /nfs/dbraw/zinc/09/48/64/1062094864.db2.gz KHQBBXUBNZWLII-RTWAWAEBSA-N 1 1 494.681 2.976 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001290396847 1062096986 /nfs/dbraw/zinc/09/69/86/1062096986.db2.gz AGFZNTWJIWTBEI-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290396847 1062097012 /nfs/dbraw/zinc/09/70/12/1062097012.db2.gz AGFZNTWJIWTBEI-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290396847 1062097037 /nfs/dbraw/zinc/09/70/37/1062097037.db2.gz AGFZNTWJIWTBEI-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO CCCN(CCn1c(COCC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001294586023 1062097706 /nfs/dbraw/zinc/09/77/06/1062097706.db2.gz VAXJEQOHDALRCK-XMMPIXPASA-N 1 1 480.654 2.763 20 0 JFADMO CCCN(CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294586140 1062098233 /nfs/dbraw/zinc/09/82/33/1062098233.db2.gz UYHMLEXUDQPJLH-PMACEKPBSA-N 1 1 480.654 2.586 20 0 JFADMO CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294586145 1062098293 /nfs/dbraw/zinc/09/82/93/1062098293.db2.gz UYHMLEXUDQPJLH-WOJBJXKFSA-N 1 1 480.654 2.586 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287061656 1062098346 /nfs/dbraw/zinc/09/83/46/1062098346.db2.gz MMAZBDJFOQYZFQ-IRLDBZIGSA-N 1 1 499.660 2.928 20 0 JFADMO CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294592111 1062103250 /nfs/dbraw/zinc/10/32/50/1062103250.db2.gz COZSHWDKOHJDQS-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294592111 1062103260 /nfs/dbraw/zinc/10/32/60/1062103260.db2.gz COZSHWDKOHJDQS-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC001290403289 1062110036 /nfs/dbraw/zinc/11/00/36/1062110036.db2.gz LCJZEYGPIUOPSO-OAQYLSRUSA-N 1 1 488.683 2.779 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC001290403289 1062110048 /nfs/dbraw/zinc/11/00/48/1062110048.db2.gz LCJZEYGPIUOPSO-OAQYLSRUSA-N 1 1 488.683 2.779 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001287063385 1062117059 /nfs/dbraw/zinc/11/70/59/1062117059.db2.gz LWQXSUOJYCHVPA-UHFFFAOYSA-N 1 1 485.633 2.944 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001287063385 1062117072 /nfs/dbraw/zinc/11/70/72/1062117072.db2.gz LWQXSUOJYCHVPA-UHFFFAOYSA-N 1 1 485.633 2.944 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410086 1062125242 /nfs/dbraw/zinc/12/52/42/1062125242.db2.gz WUFGWXQKQORWDB-JUMZHAFNSA-N 1 1 450.678 2.854 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410088 1062125367 /nfs/dbraw/zinc/12/53/67/1062125367.db2.gz WUFGWXQKQORWDB-NQUPLYSKSA-N 1 1 450.678 2.854 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290410089 1062125404 /nfs/dbraw/zinc/12/54/04/1062125404.db2.gz WUFGWXQKQORWDB-YSBVSIELSA-N 1 1 450.678 2.854 20 0 JFADMO CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294616703 1062126380 /nfs/dbraw/zinc/12/63/80/1062126380.db2.gz KQOCPKNIZDJWJR-VGSWGCGISA-N 1 1 460.573 2.936 20 0 JFADMO CCCn1c(Cc2csc(C)n2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001294620458 1062127387 /nfs/dbraw/zinc/12/73/87/1062127387.db2.gz CEQFLSLOCMRLEL-UHFFFAOYSA-N 1 1 459.664 2.814 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290413201 1062132025 /nfs/dbraw/zinc/13/20/25/1062132025.db2.gz BVVACHAXLGJLAW-QKLQHJQFSA-N 1 1 459.664 2.811 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)C1 ZINC001294633068 1062141067 /nfs/dbraw/zinc/14/10/67/1062141067.db2.gz LGVCXIMXHHIJII-GBWYYYKWSA-N 1 1 476.666 2.701 20 0 JFADMO CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001294636239 1062148447 /nfs/dbraw/zinc/14/84/47/1062148447.db2.gz NCQBCASXPWAFRR-FQEVSTJZSA-N 1 1 489.665 2.895 20 0 JFADMO CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001294636239 1062148456 /nfs/dbraw/zinc/14/84/56/1062148456.db2.gz NCQBCASXPWAFRR-FQEVSTJZSA-N 1 1 489.665 2.895 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001294637888 1062152861 /nfs/dbraw/zinc/15/28/61/1062152861.db2.gz NAHXUJREDSTRCP-IRLDBZIGSA-N 1 1 470.618 2.731 20 0 JFADMO CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CC1 ZINC001294638175 1062153052 /nfs/dbraw/zinc/15/30/52/1062153052.db2.gz OLHLMYMUUZLUAF-XMMPIXPASA-N 1 1 475.726 2.755 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294640849 1062158428 /nfs/dbraw/zinc/15/84/28/1062158428.db2.gz GSKOHVJDNLLLDK-WBVHZDCISA-N 1 1 499.479 2.781 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+](C)Cc2ccccc2)cs1 ZINC001290424089 1062166644 /nfs/dbraw/zinc/16/66/44/1062166644.db2.gz PUSRHYHNRCBZAB-FQEVSTJZSA-N 1 1 467.643 2.858 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287068875 1062175374 /nfs/dbraw/zinc/17/53/74/1062175374.db2.gz RASVPZXJCYOVIH-QHCPKHFHSA-N 1 1 492.024 2.819 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)CCn3cnc4c(C)cccc4c3=O)C2)cc(OC)c1 ZINC001294646611 1062177230 /nfs/dbraw/zinc/17/72/30/1062177230.db2.gz WWRQXFXTWHCTND-IBGZPJMESA-N 1 1 450.539 2.503 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)CCn3cnc4c(C)cccc4c3=O)C2)cc(OC)c1 ZINC001294646611 1062177248 /nfs/dbraw/zinc/17/72/48/1062177248.db2.gz WWRQXFXTWHCTND-IBGZPJMESA-N 1 1 450.539 2.503 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001294647091 1062180817 /nfs/dbraw/zinc/18/08/17/1062180817.db2.gz BHTMPZJKXGBCEJ-SFHVURJKSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647774 1062183612 /nfs/dbraw/zinc/18/36/12/1062183612.db2.gz FXPRTDACQLFPKT-LJQANCHMSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001294648928 1062188967 /nfs/dbraw/zinc/18/89/67/1062188967.db2.gz LLRWQQVOWIBFOB-IQGLISFBSA-N 1 1 470.618 2.657 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001294649971 1062194443 /nfs/dbraw/zinc/19/44/43/1062194443.db2.gz GDOYLLXEESNQCM-QGZVFWFLSA-N 1 1 452.529 2.541 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)C1 ZINC001294651254 1062197080 /nfs/dbraw/zinc/19/70/80/1062197080.db2.gz NUFQCYYWAUKMAC-FQEVSTJZSA-N 1 1 489.690 2.631 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656838 1062201676 /nfs/dbraw/zinc/20/16/76/1062201676.db2.gz IJQIMPHSKGDSQH-RBUKOAKNSA-N 1 1 456.591 2.615 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294657908 1062202389 /nfs/dbraw/zinc/20/23/89/1062202389.db2.gz NZKWQMYVEWGVGZ-IBGZPJMESA-N 1 1 466.696 2.918 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294657770 1062202452 /nfs/dbraw/zinc/20/24/52/1062202452.db2.gz LNZVYRRVMAVNEG-HAGHYFMRSA-N 1 1 462.639 2.863 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294657771 1062202668 /nfs/dbraw/zinc/20/26/68/1062202668.db2.gz LNZVYRRVMAVNEG-IYWMVGAKSA-N 1 1 462.639 2.863 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658356 1062203796 /nfs/dbraw/zinc/20/37/96/1062203796.db2.gz PBZQGQARWROPGD-MOPGFXCFSA-N 1 1 479.622 2.696 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(C)(C)O)cs1 ZINC001290435540 1062205041 /nfs/dbraw/zinc/20/50/41/1062205041.db2.gz TYZATZDLXLVIKV-KDURUIRLSA-N 1 1 475.707 2.790 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC001290439554 1062207321 /nfs/dbraw/zinc/20/73/21/1062207321.db2.gz GDKRLKKYUKRPIJ-LPHOPBHVSA-N 1 1 450.678 2.812 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC001290439553 1062207572 /nfs/dbraw/zinc/20/75/72/1062207572.db2.gz GDKRLKKYUKRPIJ-APWZRJJASA-N 1 1 450.678 2.812 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@H]2CCOC2)C1 ZINC001294659403 1062207790 /nfs/dbraw/zinc/20/77/90/1062207790.db2.gz UWTUEQBXGDKYPL-PWRODBHTSA-N 1 1 492.665 2.791 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCOCC2)C1 ZINC001287072841 1062209176 /nfs/dbraw/zinc/20/91/76/1062209176.db2.gz UWAKVRBIBZKZOR-HXUWFJFHSA-N 1 1 456.591 2.771 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001287073545 1062213262 /nfs/dbraw/zinc/21/32/62/1062213262.db2.gz JULFTFCQTQPFPK-QRVBRYPASA-N 1 1 489.665 2.638 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001294662387 1062214483 /nfs/dbraw/zinc/21/44/83/1062214483.db2.gz LWCCRNRRDFNAHO-DDRJZQQSSA-N 1 1 453.635 2.879 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001294663111 1062215045 /nfs/dbraw/zinc/21/50/45/1062215045.db2.gz QRCXWVNASJUTII-OAQYLSRUSA-N 1 1 455.651 2.543 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294666570 1062219925 /nfs/dbraw/zinc/21/99/25/1062219925.db2.gz GHPVGDOOBIUQFJ-GOSISDBHSA-N 1 1 476.025 2.704 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001294666969 1062220713 /nfs/dbraw/zinc/22/07/13/1062220713.db2.gz ONESGVZSWNLVHI-PMACEKPBSA-N 1 1 454.619 2.818 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294667291 1062221144 /nfs/dbraw/zinc/22/11/44/1062221144.db2.gz WSMCQKQEBXEZCC-NBGIEHNGSA-N 1 1 454.619 2.908 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294667382 1062221690 /nfs/dbraw/zinc/22/16/90/1062221690.db2.gz ZEHRZBBQFRIVRQ-UXHICEINSA-N 1 1 470.618 2.655 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667398 1062222420 /nfs/dbraw/zinc/22/24/20/1062222420.db2.gz ZPGDKGGYULRHOG-UXHICEINSA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCC(N(C)S(=O)(=O)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294668738 1062223493 /nfs/dbraw/zinc/22/34/93/1062223493.db2.gz CABGCELYCYRQSW-GOSISDBHSA-N 1 1 454.685 2.558 20 0 JFADMO Cc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cs1 ZINC001290447863 1062224538 /nfs/dbraw/zinc/22/45/38/1062224538.db2.gz LVUIWUCYGLHHEF-NRFANRHFSA-N 1 1 461.680 2.640 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294669927 1062226061 /nfs/dbraw/zinc/22/60/61/1062226061.db2.gz OAOAFLIUYIBDEX-HXUWFJFHSA-N 1 1 475.659 2.645 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 ZINC001294669851 1062226256 /nfs/dbraw/zinc/22/62/56/1062226256.db2.gz MHWSKPWIXQPPRA-XRXFAXGQSA-N 1 1 460.667 2.891 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670080 1062226709 /nfs/dbraw/zinc/22/67/09/1062226709.db2.gz OOIGERSRQNAQAR-SFTDATJTSA-N 1 1 487.693 2.511 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294670352 1062228099 /nfs/dbraw/zinc/22/80/99/1062228099.db2.gz SMKLCANDIYSGOB-SFTDATJTSA-N 1 1 475.659 2.829 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294672106 1062231062 /nfs/dbraw/zinc/23/10/62/1062231062.db2.gz YJLJFYLCASGMGE-RBBKRZOGSA-N 1 1 475.659 2.911 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294672105 1062231293 /nfs/dbraw/zinc/23/12/93/1062231293.db2.gz YJLJFYLCASGMGE-IRLDBZIGSA-N 1 1 475.659 2.911 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294672071 1062231376 /nfs/dbraw/zinc/23/13/76/1062231376.db2.gz XMSOJVHQXVLIKN-WOJBJXKFSA-N 1 1 462.639 2.692 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294672068 1062231468 /nfs/dbraw/zinc/23/14/68/1062231468.db2.gz XMSOJVHQXVLIKN-PMACEKPBSA-N 1 1 462.639 2.692 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674960 1062235153 /nfs/dbraw/zinc/23/51/53/1062235153.db2.gz PHNMISYPBDKNBT-SLFFLAALSA-N 1 1 478.638 2.591 20 0 JFADMO Cc1n[nH]c(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001290464796 1062249193 /nfs/dbraw/zinc/24/91/93/1062249193.db2.gz UFEFAKTZLDFHEB-HDICACEKSA-N 1 1 487.653 2.639 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294692958 1062252254 /nfs/dbraw/zinc/25/22/54/1062252254.db2.gz FFVGVMODISIPOI-GOSISDBHSA-N 1 1 461.408 2.908 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O ZINC001294695884 1062256629 /nfs/dbraw/zinc/25/66/29/1062256629.db2.gz ARCKCNGZMRBCBT-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294697093 1062258852 /nfs/dbraw/zinc/25/88/52/1062258852.db2.gz SZEJONBUMARNFV-MDNUFGMLSA-N 1 1 459.683 2.655 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294698075 1062259959 /nfs/dbraw/zinc/25/99/59/1062259959.db2.gz WQHZATVJTAZRLO-RGZWJVDOSA-N 1 1 459.639 2.871 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294699317 1062262656 /nfs/dbraw/zinc/26/26/56/1062262656.db2.gz OREQPDUVAQPQKG-PMACEKPBSA-N 1 1 458.611 2.658 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001294699624 1062264058 /nfs/dbraw/zinc/26/40/58/1062264058.db2.gz RDWVETUHTPXXKP-KRWDZBQOSA-N 1 1 473.622 2.621 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699502 1062264095 /nfs/dbraw/zinc/26/40/95/1062264095.db2.gz OSINPPOHQACOEO-FQEVSTJZSA-N 1 1 478.663 2.877 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001294700213 1062265168 /nfs/dbraw/zinc/26/51/68/1062265168.db2.gz VOBJQBMTCGOVPQ-IRLDBZIGSA-N 1 1 489.690 2.712 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294701135 1062266521 /nfs/dbraw/zinc/26/65/21/1062266521.db2.gz WVCBTNKVODCGOZ-OALUTQOASA-N 1 1 470.618 2.894 20 0 JFADMO CC(C)(Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001287088192 1062270369 /nfs/dbraw/zinc/27/03/69/1062270369.db2.gz NHXSGKYHGDRYPT-UHFFFAOYSA-N 1 1 452.525 2.582 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001294707764 1062271976 /nfs/dbraw/zinc/27/19/76/1062271976.db2.gz GMBULBZSWMTGBZ-HSZRJFAPSA-N 1 1 468.646 2.737 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294708352 1062274381 /nfs/dbraw/zinc/27/43/81/1062274381.db2.gz IKMQLWXKBHHRJD-OAQYLSRUSA-N 1 1 475.659 2.571 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294708888 1062276059 /nfs/dbraw/zinc/27/60/59/1062276059.db2.gz SNDWKTKNRNPWNU-CYFREDJKSA-N 1 1 459.639 2.556 20 0 JFADMO CC(C)(C)[S@@](=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1 ZINC001287089407 1062276379 /nfs/dbraw/zinc/27/63/79/1062276379.db2.gz QAEYPINGJGRGHJ-YTTGMZPUSA-N 1 1 458.676 2.790 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001294710105 1062278280 /nfs/dbraw/zinc/27/82/80/1062278280.db2.gz OAXHFYFGVKFDLO-SFHLNBCPSA-N 1 1 462.664 2.786 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001294710029 1062278329 /nfs/dbraw/zinc/27/83/29/1062278329.db2.gz NCACVTBSIPJIRX-HXUWFJFHSA-N 1 1 456.639 2.652 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294712707 1062283564 /nfs/dbraw/zinc/28/35/64/1062283564.db2.gz STRWRMIJTHHSFX-XUVXKRRUSA-N 1 1 453.653 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294713169 1062285612 /nfs/dbraw/zinc/28/56/12/1062285612.db2.gz UQBKWPFTQHNFRF-SSGKUCQKSA-N 1 1 490.693 2.803 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713341 1062286286 /nfs/dbraw/zinc/28/62/86/1062286286.db2.gz YRISVMFDAFXHDE-YADHBBJMSA-N 1 1 459.660 2.951 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C ZINC001294713493 1062286375 /nfs/dbraw/zinc/28/63/75/1062286375.db2.gz WSSXNUAAWFTCGG-FQEVSTJZSA-N 1 1 486.665 2.897 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN(CC(=O)Nc3cc(C)on3)CC2)nnc1C(C)(C)C ZINC001294713495 1062286996 /nfs/dbraw/zinc/28/69/96/1062286996.db2.gz WSSXNUAAWFTCGG-HXUWFJFHSA-N 1 1 486.665 2.897 20 0 JFADMO CC(C)(Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC001287092331 1062287996 /nfs/dbraw/zinc/28/79/96/1062287996.db2.gz AHBZPSRYFKTROX-RBUKOAKNSA-N 1 1 497.562 2.932 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)OC2CCCC2)cc1F ZINC001290501079 1062292974 /nfs/dbraw/zinc/29/29/74/1062292974.db2.gz IYQYBGPCYNFHKO-OAHLLOKOSA-N 1 1 491.593 2.880 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)OC2CCCC2)cc1F ZINC001290501078 1062293015 /nfs/dbraw/zinc/29/30/15/1062293015.db2.gz IYQYBGPCYNFHKO-HNNXBMFYSA-N 1 1 491.593 2.880 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001290502995 1062298677 /nfs/dbraw/zinc/29/86/77/1062298677.db2.gz BZEMDYQVYIZJGB-UHFFFAOYSA-N 1 1 492.628 2.800 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 ZINC001290504061 1062300767 /nfs/dbraw/zinc/30/07/67/1062300767.db2.gz QAXICUNIAIOXOO-DEOSSOPVSA-N 1 1 469.565 2.639 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1F ZINC001290504774 1062302608 /nfs/dbraw/zinc/30/26/08/1062302608.db2.gz ZAAISUNBAFFDNA-MRXNPFEDSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290506061 1062303057 /nfs/dbraw/zinc/30/30/57/1062303057.db2.gz HFBFFJVFTBGIAA-MOPGFXCFSA-N 1 1 486.621 2.566 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001290506438 1062303806 /nfs/dbraw/zinc/30/38/06/1062303806.db2.gz CDKQIMIERDLELC-UHFFFAOYSA-N 1 1 489.621 2.511 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294724632 1062305195 /nfs/dbraw/zinc/30/51/95/1062305195.db2.gz SNEKWICTFNUTOS-OAQYLSRUSA-N 1 1 454.619 2.895 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507571 1062305370 /nfs/dbraw/zinc/30/53/70/1062305370.db2.gz NDNHYFXJEKSJNA-YLJYHZDGSA-N 1 1 487.630 2.612 20 0 JFADMO CC(C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287099281 1062307264 /nfs/dbraw/zinc/30/72/64/1062307264.db2.gz WNABXMZOLHSAIJ-OAHLLOKOSA-N 1 1 482.398 2.776 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 ZINC001290508481 1062307298 /nfs/dbraw/zinc/30/72/98/1062307298.db2.gz UOTBBGDSKZKZQZ-LJQANCHMSA-N 1 1 460.579 2.941 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(F)cccc1Cl ZINC001290511086 1062309054 /nfs/dbraw/zinc/30/90/54/1062309054.db2.gz LURMATCCMACIDU-CQSZACIVSA-N 1 1 484.001 2.912 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001290511182 1062309630 /nfs/dbraw/zinc/30/96/30/1062309630.db2.gz MWZCZVFQRRAHFE-GOSISDBHSA-N 1 1 471.631 2.868 20 0 JFADMO CCCN1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294731517 1062311856 /nfs/dbraw/zinc/31/18/56/1062311856.db2.gz UZEYUJVRCAVHSX-UHFFFAOYSA-N 1 1 464.618 2.649 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001290515100 1062314182 /nfs/dbraw/zinc/31/41/82/1062314182.db2.gz FLAYPZQTZMGNFT-GHTZIAJQSA-N 1 1 493.678 2.611 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001294733026 1062314298 /nfs/dbraw/zinc/31/42/98/1062314298.db2.gz JYOPKBNJDOLWJM-FGZHOGPDSA-N 1 1 460.667 2.989 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001290515256 1062314664 /nfs/dbraw/zinc/31/46/64/1062314664.db2.gz HEVUZBBWMADZNL-PMACEKPBSA-N 1 1 457.623 2.898 20 0 JFADMO CCCN1CCCN(c2nnc(CC(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC001294733608 1062315378 /nfs/dbraw/zinc/31/53/78/1062315378.db2.gz GAKGBQKQRGUOOL-UHFFFAOYSA-N 1 1 468.646 2.806 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001290515566 1062316131 /nfs/dbraw/zinc/31/61/31/1062316131.db2.gz LQZDOJILQBYCLV-UHFFFAOYSA-N 1 1 479.610 2.899 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001290515733 1062316752 /nfs/dbraw/zinc/31/67/52/1062316752.db2.gz QYISCAWHAADRHQ-UHFFFAOYSA-N 1 1 492.672 2.900 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCc1cnccn1 ZINC001290518060 1062319485 /nfs/dbraw/zinc/31/94/85/1062319485.db2.gz UMOQDFAVQLDEME-UHFFFAOYSA-N 1 1 479.976 2.536 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001290521056 1062320493 /nfs/dbraw/zinc/32/04/93/1062320493.db2.gz HFDNOGMZWDIBKR-KBXCAEBGSA-N 1 1 498.531 2.710 20 0 JFADMO CCCN1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001294735580 1062321415 /nfs/dbraw/zinc/32/14/15/1062321415.db2.gz XIVXNTHFEYAUBP-UHFFFAOYSA-N 1 1 498.672 2.631 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001290521715 1062321536 /nfs/dbraw/zinc/32/15/36/1062321536.db2.gz MSTZASHWYZDRJZ-CQSZACIVSA-N 1 1 458.364 2.580 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001290521983 1062322975 /nfs/dbraw/zinc/32/29/75/1062322975.db2.gz RTWQQVHSKNNURI-CYBMUJFWSA-N 1 1 485.433 2.598 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001290522660 1062323584 /nfs/dbraw/zinc/32/35/84/1062323584.db2.gz JBZAQUGBQCGRTN-GOSISDBHSA-N 1 1 454.579 2.982 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001287110949 1062325892 /nfs/dbraw/zinc/32/58/92/1062325892.db2.gz XUHQLVYYWKZTTF-HSZRJFAPSA-N 1 1 468.646 2.999 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001290524557 1062326077 /nfs/dbraw/zinc/32/60/77/1062326077.db2.gz FXUXOXNSZBZYEO-INIZCTEOSA-N 1 1 466.970 2.814 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001290524521 1062326259 /nfs/dbraw/zinc/32/62/59/1062326259.db2.gz DUYDOHIFUNZKAZ-NRFANRHFSA-N 1 1 463.508 2.999 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001290524883 1062327186 /nfs/dbraw/zinc/32/71/86/1062327186.db2.gz POZMHLDNBVRAPN-LJQANCHMSA-N 1 1 475.519 2.773 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001290524921 1062327464 /nfs/dbraw/zinc/32/74/64/1062327464.db2.gz QSTNWGDPOFDZLX-MJGOQNOKSA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001290525043 1062327554 /nfs/dbraw/zinc/32/75/54/1062327554.db2.gz VQFSXHNIBOSMJK-FQEVSTJZSA-N 1 1 466.590 2.963 20 0 JFADMO Cc1[nH+]ccn1CCn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290528422 1062328656 /nfs/dbraw/zinc/32/86/56/1062328656.db2.gz GNJWOAUAICGVRR-NTKDMRAZSA-N 1 1 489.621 2.627 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001290530253 1062331878 /nfs/dbraw/zinc/33/18/78/1062331878.db2.gz YVKUBELBHXEMCZ-RNIPGJKVSA-N 1 1 466.652 2.660 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001294743540 1062332242 /nfs/dbraw/zinc/33/22/42/1062332242.db2.gz BRWWERNLABFNMT-KRWDZBQOSA-N 1 1 466.590 2.576 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001294743938 1062334052 /nfs/dbraw/zinc/33/40/52/1062334052.db2.gz HUALFGRYNIZEPI-DSKINZAPSA-N 1 1 478.638 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001294744461 1062335891 /nfs/dbraw/zinc/33/58/91/1062335891.db2.gz UWUNXYLPKCCAAV-FQEVSTJZSA-N 1 1 490.697 2.701 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294744598 1062336696 /nfs/dbraw/zinc/33/66/96/1062336696.db2.gz YETCWNWYCRROGC-OALUTQOASA-N 1 1 498.632 2.903 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744794 1062337205 /nfs/dbraw/zinc/33/72/05/1062337205.db2.gz DKSOGBCFCHTQHQ-KRWDZBQOSA-N 1 1 469.558 2.656 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001290537402 1062337260 /nfs/dbraw/zinc/33/72/60/1062337260.db2.gz BGXFTLJRGFUIKY-GOSISDBHSA-N 1 1 456.639 2.765 20 0 JFADMO Cc1nccnc1N1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001290537747 1062338733 /nfs/dbraw/zinc/33/87/33/1062338733.db2.gz KFIXVAPXQJGQLC-UHFFFAOYSA-N 1 1 483.709 2.565 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294751796 1062340826 /nfs/dbraw/zinc/34/08/26/1062340826.db2.gz YKGDHDNGZZFLDC-UQBPGWFLSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001294753589 1062342222 /nfs/dbraw/zinc/34/22/22/1062342222.db2.gz OOSIJCDFKLOGGI-CTNGQTDRSA-N 1 1 470.666 2.932 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001294754113 1062342796 /nfs/dbraw/zinc/34/27/96/1062342796.db2.gz BDZTVGZDBQRBPC-ICSRJNTNSA-N 1 1 479.622 2.709 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001290542679 1062343754 /nfs/dbraw/zinc/34/37/54/1062343754.db2.gz SYWUCLBWDJGQCY-MZNJEOGPSA-N 1 1 459.639 2.788 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294754538 1062344342 /nfs/dbraw/zinc/34/43/42/1062344342.db2.gz FMKGVYVNCZPLAY-UXHICEINSA-N 1 1 489.665 2.579 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001294755787 1062346261 /nfs/dbraw/zinc/34/62/61/1062346261.db2.gz SMIGOYBLUKWWMD-HOJAQTOUSA-N 1 1 461.632 2.958 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290546671 1062346259 /nfs/dbraw/zinc/34/62/59/1062346259.db2.gz HGXDZUUURWCIQB-RTWAWAEBSA-N 1 1 459.639 2.516 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290546665 1062346438 /nfs/dbraw/zinc/34/64/38/1062346438.db2.gz HGXDZUUURWCIQB-LEWJYISDSA-N 1 1 459.639 2.516 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294757152 1062347511 /nfs/dbraw/zinc/34/75/11/1062347511.db2.gz JOQJVVVXDJAKJP-PMACEKPBSA-N 1 1 489.665 2.721 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294758145 1062348617 /nfs/dbraw/zinc/34/86/17/1062348617.db2.gz ULJJZTQBRFRKQT-MSOLQXFVSA-N 1 1 474.631 2.533 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294759351 1062349547 /nfs/dbraw/zinc/34/95/47/1062349547.db2.gz CDCJCRCIOKWHMP-HFMPRLQTSA-N 1 1 497.706 2.597 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294760090 1062349965 /nfs/dbraw/zinc/34/99/65/1062349965.db2.gz JWHXFFAQQKGICL-WOVHNISZSA-N 1 1 490.693 2.936 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287117166 1062350386 /nfs/dbraw/zinc/35/03/86/1062350386.db2.gz FIIGNFPXNRWFAT-NRFANRHFSA-N 1 1 486.636 2.860 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287117166 1062350406 /nfs/dbraw/zinc/35/04/06/1062350406.db2.gz FIIGNFPXNRWFAT-NRFANRHFSA-N 1 1 486.636 2.860 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294760124 1062350811 /nfs/dbraw/zinc/35/08/11/1062350811.db2.gz LGQDMHZGOGJNRL-VQTJNVASSA-N 1 1 479.622 2.884 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001294763819 1062352398 /nfs/dbraw/zinc/35/23/98/1062352398.db2.gz GNYMMMHJDZTONG-UFYCRDLUSA-N 1 1 488.599 2.951 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CCOC)n2CC[N@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001294766799 1062360286 /nfs/dbraw/zinc/36/02/86/1062360286.db2.gz UAKOKBUKEFXGBL-GOSISDBHSA-N 1 1 453.591 2.632 20 0 JFADMO CCCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768368 1062362597 /nfs/dbraw/zinc/36/25/97/1062362597.db2.gz NPYZCRJTZAWZRN-OALUTQOASA-N 1 1 494.644 2.509 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)CC1 ZINC001290564892 1062367207 /nfs/dbraw/zinc/36/72/07/1062367207.db2.gz RVTHCZPDHSPQPL-UHFFFAOYSA-N 1 1 496.582 2.662 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001287121316 1062367264 /nfs/dbraw/zinc/36/72/64/1062367264.db2.gz WYTCYKNXBZXDPB-IBGZPJMESA-N 1 1 454.623 2.598 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCOC2CCOCC2)CC1 ZINC001290565095 1062367747 /nfs/dbraw/zinc/36/77/47/1062367747.db2.gz UZQBQOGBBXLPGD-UHFFFAOYSA-N 1 1 473.666 2.735 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCC(=O)N2CCCCCC2)CC1 ZINC001290566018 1062368908 /nfs/dbraw/zinc/36/89/08/1062368908.db2.gz XBJJJEMWRJZKRI-UHFFFAOYSA-N 1 1 484.693 2.942 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287121807 1062369704 /nfs/dbraw/zinc/36/97/04/1062369704.db2.gz GNGXUGKPRFGYMT-OAQYLSRUSA-N 1 1 487.693 2.796 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001294776189 1062375919 /nfs/dbraw/zinc/37/59/19/1062375919.db2.gz GUTVDUVJXFLMOI-QHCPKHFHSA-N 1 1 498.672 2.907 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001294776189 1062375938 /nfs/dbraw/zinc/37/59/38/1062375938.db2.gz GUTVDUVJXFLMOI-QHCPKHFHSA-N 1 1 498.672 2.907 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001287123897 1062379589 /nfs/dbraw/zinc/37/95/89/1062379589.db2.gz NWQMHQNODBAEAX-OAQYLSRUSA-N 1 1 462.683 2.845 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001287124021 1062379926 /nfs/dbraw/zinc/37/99/26/1062379926.db2.gz GLKZDEHIPPCTPY-IRLDBZIGSA-N 1 1 453.635 2.737 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001287124101 1062380009 /nfs/dbraw/zinc/38/00/09/1062380009.db2.gz GLKZDEHIPPCTPY-RBBKRZOGSA-N 1 1 453.635 2.737 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001287124211 1062380922 /nfs/dbraw/zinc/38/09/22/1062380922.db2.gz QTQPANZVTLQVTJ-UHFFFAOYSA-N 1 1 489.064 2.986 20 0 JFADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001290581591 1062387704 /nfs/dbraw/zinc/38/77/04/1062387704.db2.gz NRKJVFPIZOGMMR-FCHUYYIVSA-N 1 1 470.666 2.999 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294788221 1062393960 /nfs/dbraw/zinc/39/39/60/1062393960.db2.gz DIGVCCTUOOAMNV-CTNGQTDRSA-N 1 1 471.650 2.615 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001294789060 1062395888 /nfs/dbraw/zinc/39/58/88/1062395888.db2.gz ABGLJOAUMPSGSN-XZOQPEGZSA-N 1 1 495.672 2.630 20 0 JFADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789766 1062398430 /nfs/dbraw/zinc/39/84/30/1062398430.db2.gz RZABMOYOCZNHDF-QPPBQGQZSA-N 1 1 451.567 2.790 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001287128698 1062401342 /nfs/dbraw/zinc/40/13/42/1062401342.db2.gz SVSLZLTWLNIEJL-IBGZPJMESA-N 1 1 460.648 2.718 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294794405 1062422477 /nfs/dbraw/zinc/42/24/77/1062422477.db2.gz HXEOVLNCTNBZHG-PMACEKPBSA-N 1 1 457.623 2.517 20 0 JFADMO C[C@H]1C[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1Cc1ccccc1 ZINC001294801248 1062444176 /nfs/dbraw/zinc/44/41/76/1062444176.db2.gz GBXZKBMDLBQBPH-YOEHRIQHSA-N 1 1 456.340 2.824 20 0 JFADMO C[C@@H]1[C@H](C(=O)NCCN2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC001290615369 1062462810 /nfs/dbraw/zinc/46/28/10/1062462810.db2.gz AWQAWNAOUYLRCD-AQXUCWCGSA-N 1 1 452.374 2.942 20 0 JFADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001290615667 1062463884 /nfs/dbraw/zinc/46/38/84/1062463884.db2.gz CVVOHJVZHDWBNB-JGQZPTKJSA-N 1 1 458.367 2.601 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617584 1062471601 /nfs/dbraw/zinc/47/16/01/1062471601.db2.gz KPKDHMHVGJSZBQ-VQTJNVASSA-N 1 1 472.638 2.680 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001294815224 1062494451 /nfs/dbraw/zinc/49/44/51/1062494451.db2.gz JPMCQMHPCKVUQF-HSZRJFAPSA-N 1 1 454.619 2.620 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001290630027 1062503457 /nfs/dbraw/zinc/50/34/57/1062503457.db2.gz XPRPWHKVMBLCCW-QUCCMNQESA-N 1 1 472.638 2.727 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001294822116 1062505629 /nfs/dbraw/zinc/50/56/29/1062505629.db2.gz KAERXCYICKIHQD-FQEVSTJZSA-N 1 1 472.609 2.674 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294822436 1062506588 /nfs/dbraw/zinc/50/65/88/1062506588.db2.gz LVYPPYNENFIJSZ-HXUWFJFHSA-N 1 1 454.619 2.717 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294822436 1062506607 /nfs/dbraw/zinc/50/66/07/1062506607.db2.gz LVYPPYNENFIJSZ-HXUWFJFHSA-N 1 1 454.619 2.717 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cc[nH+]c2C)CC1 ZINC001294822563 1062507003 /nfs/dbraw/zinc/50/70/03/1062507003.db2.gz LPIUPPOYESTTJP-UHFFFAOYSA-N 1 1 450.591 2.986 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001290631939 1062507716 /nfs/dbraw/zinc/50/77/16/1062507716.db2.gz TVCIMHCFFAUCGT-OAQYLSRUSA-N 1 1 459.639 2.502 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001294827730 1062513592 /nfs/dbraw/zinc/51/35/92/1062513592.db2.gz FMAWOMZAFIGJDX-QFIPXVFZSA-N 1 1 470.618 2.873 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001287148460 1062516609 /nfs/dbraw/zinc/51/66/09/1062516609.db2.gz GQCXJJVFQODQCB-WRALFONMSA-N 1 1 489.686 2.688 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287148460 1062516627 /nfs/dbraw/zinc/51/66/27/1062516627.db2.gz GQCXJJVFQODQCB-WRALFONMSA-N 1 1 489.686 2.688 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001294832449 1062520187 /nfs/dbraw/zinc/52/01/87/1062520187.db2.gz JPKUFTBOCVTQBN-OAQYLSRUSA-N 1 1 453.635 2.738 20 0 JFADMO CCCNC(=O)CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001294837789 1062527941 /nfs/dbraw/zinc/52/79/41/1062527941.db2.gz ILZGITUDZIOCNS-IBGZPJMESA-N 1 1 470.618 2.801 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290641688 1062530299 /nfs/dbraw/zinc/53/02/99/1062530299.db2.gz ZGNGYQNPPIOQIY-PCCBWWKXSA-N 1 1 459.639 2.643 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001287153987 1062533274 /nfs/dbraw/zinc/53/32/74/1062533274.db2.gz VLPFABSXOOUSSY-IBGZPJMESA-N 1 1 459.683 2.559 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287153987 1062533295 /nfs/dbraw/zinc/53/32/95/1062533295.db2.gz VLPFABSXOOUSSY-IBGZPJMESA-N 1 1 459.683 2.559 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287153987 1062533315 /nfs/dbraw/zinc/53/33/15/1062533315.db2.gz VLPFABSXOOUSSY-IBGZPJMESA-N 1 1 459.683 2.559 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287154458 1062536081 /nfs/dbraw/zinc/53/60/81/1062536081.db2.gz VQKBSEOLWOOOGS-DEOSSOPVSA-N 1 1 463.598 2.950 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287154458 1062536102 /nfs/dbraw/zinc/53/61/02/1062536102.db2.gz VQKBSEOLWOOOGS-DEOSSOPVSA-N 1 1 463.598 2.950 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287154808 1062536772 /nfs/dbraw/zinc/53/67/72/1062536772.db2.gz WKNYKKKFFBZQEQ-DQEYMECFSA-N 1 1 457.619 2.608 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290647170 1062540196 /nfs/dbraw/zinc/54/01/96/1062540196.db2.gz CAQUYOBIUJKPPO-RTWAWAEBSA-N 1 1 459.639 2.500 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294847564 1062546304 /nfs/dbraw/zinc/54/63/04/1062546304.db2.gz UIBOWPVSQPGLFM-UHFFFAOYSA-N 1 1 464.618 2.616 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001290650133 1062549070 /nfs/dbraw/zinc/54/90/70/1062549070.db2.gz XMSRIVPJCZAKQN-VXKWHMMOSA-N 1 1 473.666 2.628 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158344 1062551033 /nfs/dbraw/zinc/55/10/33/1062551033.db2.gz CKBJNXIEYWTYKF-HKBOAZHASA-N 1 1 492.665 2.632 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294851051 1062551158 /nfs/dbraw/zinc/55/11/58/1062551158.db2.gz RUGWQLBXHROBLD-BGYRXZFFSA-N 1 1 469.634 2.582 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290654053 1062553472 /nfs/dbraw/zinc/55/34/72/1062553472.db2.gz ZGPRIACWAPHCJB-CPJSRVTESA-N 1 1 486.665 2.973 20 0 JFADMO CC(C)[C@H](Cn1c(C2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159219 1062555742 /nfs/dbraw/zinc/55/57/42/1062555742.db2.gz KRXRCGXWNVWNPQ-QFIPXVFZSA-N 1 1 462.683 2.840 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CCc1nccs1)[NH+]1CCOCC1 ZINC001287161304 1062561565 /nfs/dbraw/zinc/56/15/65/1062561565.db2.gz LUABLZHQGUKZAT-FQEVSTJZSA-N 1 1 455.632 2.756 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CCc1nccs1)[NH+]1CCOCC1 ZINC001287161305 1062561650 /nfs/dbraw/zinc/56/16/50/1062561650.db2.gz LUABLZHQGUKZAT-HXUWFJFHSA-N 1 1 455.632 2.756 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CCO2)n1 ZINC001290660401 1062566653 /nfs/dbraw/zinc/56/66/53/1062566653.db2.gz MPOHXNYXBXGVRG-QFIPXVFZSA-N 1 1 486.709 2.611 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660401 1062566671 /nfs/dbraw/zinc/56/66/71/1062566671.db2.gz MPOHXNYXBXGVRG-QFIPXVFZSA-N 1 1 486.709 2.611 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660401 1062566689 /nfs/dbraw/zinc/56/66/89/1062566689.db2.gz MPOHXNYXBXGVRG-QFIPXVFZSA-N 1 1 486.709 2.611 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(CCCO)CC1)[NH+]1CCOCC1 ZINC001287163093 1062566807 /nfs/dbraw/zinc/56/68/07/1062566807.db2.gz UKYMGXUGYUQKLU-QHCPKHFHSA-N 1 1 456.635 2.610 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163228 1062568154 /nfs/dbraw/zinc/56/81/54/1062568154.db2.gz BZHAJRLQTLLZTB-FDFHNCONSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@H](Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287163513 1062569687 /nfs/dbraw/zinc/56/96/87/1062569687.db2.gz FBSVHXVJAFGULQ-FQEVSTJZSA-N 1 1 459.614 2.793 20 0 JFADMO CCCNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294870102 1062575132 /nfs/dbraw/zinc/57/51/32/1062575132.db2.gz HELDXJBDDBZARR-NRFANRHFSA-N 1 1 484.645 2.592 20 0 JFADMO CCCNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294870102 1062575159 /nfs/dbraw/zinc/57/51/59/1062575159.db2.gz HELDXJBDDBZARR-NRFANRHFSA-N 1 1 484.645 2.592 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294879505 1062592116 /nfs/dbraw/zinc/59/21/16/1062592116.db2.gz DILBTIPORBCMMR-ROUUACIJSA-N 1 1 474.675 2.815 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001287175605 1062600150 /nfs/dbraw/zinc/60/01/50/1062600150.db2.gz WYUIYICJQXGWCY-UXHICEINSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001287175605 1062600160 /nfs/dbraw/zinc/60/01/60/1062600160.db2.gz WYUIYICJQXGWCY-UXHICEINSA-N 1 1 489.690 2.850 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001294888135 1062608829 /nfs/dbraw/zinc/60/88/29/1062608829.db2.gz LJZVMODXNVDWTH-UHFFFAOYSA-N 1 1 454.600 2.864 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 ZINC001287185656 1062610945 /nfs/dbraw/zinc/61/09/45/1062610945.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 1 1 472.682 2.765 20 0 JFADMO CC(C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001287188942 1062614767 /nfs/dbraw/zinc/61/47/67/1062614767.db2.gz XGDRBRIUHRSWMU-RBUKOAKNSA-N 1 1 450.628 2.815 20 0 JFADMO CC(C)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287190918 1062615751 /nfs/dbraw/zinc/61/57/51/1062615751.db2.gz WBOWIEYXNISWLX-UHFFFAOYSA-N 1 1 454.619 2.536 20 0 JFADMO CC(C)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287190918 1062615758 /nfs/dbraw/zinc/61/57/58/1062615758.db2.gz WBOWIEYXNISWLX-UHFFFAOYSA-N 1 1 454.619 2.536 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287193391 1062623774 /nfs/dbraw/zinc/62/37/74/1062623774.db2.gz PFUSBKSBUMKEMV-UNMCSNQZSA-N 1 1 474.675 2.784 20 0 JFADMO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287197618 1062631701 /nfs/dbraw/zinc/63/17/01/1062631701.db2.gz CTFJSKWIWKZWEJ-UHFFFAOYSA-N 1 1 487.615 2.570 20 0 JFADMO CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287203851 1062648023 /nfs/dbraw/zinc/64/80/23/1062648023.db2.gz ZXTAAAUUJQHESH-JOCHJYFZSA-N 1 1 468.646 2.832 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001294909433 1062650222 /nfs/dbraw/zinc/65/02/22/1062650222.db2.gz YNIFWVZHHOEDDB-UHFFFAOYSA-N 1 1 456.591 2.918 20 0 JFADMO Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290749977 1062668459 /nfs/dbraw/zinc/66/84/59/1062668459.db2.gz JCGRWVHSMJAPDO-JBACZVJFSA-N 1 1 462.639 2.923 20 0 JFADMO Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750505 1062668500 /nfs/dbraw/zinc/66/85/00/1062668500.db2.gz ACZNIOMSHZIIHO-CYFREDJKSA-N 1 1 480.654 2.598 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287213323 1062670504 /nfs/dbraw/zinc/67/05/04/1062670504.db2.gz CIYZOSOYGGULSK-UHFFFAOYSA-N 1 1 460.627 2.714 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001294914863 1062672499 /nfs/dbraw/zinc/67/24/99/1062672499.db2.gz XPVXFAUSFAMZGN-AEFFLSMTSA-N 1 1 491.434 2.819 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287213852 1062674159 /nfs/dbraw/zinc/67/41/59/1062674159.db2.gz FWSGCICQDSUMHS-WOJBJXKFSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287213852 1062674167 /nfs/dbraw/zinc/67/41/67/1062674167.db2.gz FWSGCICQDSUMHS-WOJBJXKFSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287214127 1062674932 /nfs/dbraw/zinc/67/49/32/1062674932.db2.gz IWBKJRRFTGTABH-IBGZPJMESA-N 1 1 479.551 2.801 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214204 1062676405 /nfs/dbraw/zinc/67/64/05/1062676405.db2.gz KFPOEBAGQTYVJD-HXUWFJFHSA-N 1 1 461.010 2.877 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001294924647 1062694398 /nfs/dbraw/zinc/69/43/98/1062694398.db2.gz KBXPDIBVYUGQFQ-ROUUACIJSA-N 1 1 470.618 2.892 20 0 JFADMO Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290793638 1062700484 /nfs/dbraw/zinc/70/04/84/1062700484.db2.gz JZCWWJHKSOJMGZ-ZIFCJYIRSA-N 1 1 450.628 2.920 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001294928321 1062702895 /nfs/dbraw/zinc/70/28/95/1062702895.db2.gz YVMPRTUTUTUWKQ-PMACEKPBSA-N 1 1 484.645 2.999 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287220418 1062704596 /nfs/dbraw/zinc/70/45/96/1062704596.db2.gz VZHFUZIZVPHNNX-ROUUACIJSA-N 1 1 458.573 2.975 20 0 JFADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001290802652 1062706546 /nfs/dbraw/zinc/70/65/46/1062706546.db2.gz WIXNRRNFRKQPQM-JGCGQSQUSA-N 1 1 458.676 2.508 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CC(C)(C)O)cc1OC ZINC001294933900 1062710074 /nfs/dbraw/zinc/71/00/74/1062710074.db2.gz PEOZRYVOFXOAAQ-LJQANCHMSA-N 1 1 473.618 2.672 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCCCN1CCOCC1 ZINC001287225187 1062713238 /nfs/dbraw/zinc/71/32/38/1062713238.db2.gz WSADIRSQQXBOAG-GOTSBHOMSA-N 1 1 461.699 2.509 20 0 JFADMO CC[C@H](CNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001290815863 1062713194 /nfs/dbraw/zinc/71/31/94/1062713194.db2.gz ZWEXUMCNVJUJQN-NHCUHLMSSA-N 1 1 458.628 2.933 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287228880 1062716417 /nfs/dbraw/zinc/71/64/17/1062716417.db2.gz CRYVZOYQMPPAAI-MBSDFSHPSA-N 1 1 480.679 2.713 20 0 JFADMO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001287229018 1062716600 /nfs/dbraw/zinc/71/66/00/1062716600.db2.gz UIMAMWXZCODUNG-MSOLQXFVSA-N 1 1 459.595 2.906 20 0 JFADMO CC(C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001287229020 1062716638 /nfs/dbraw/zinc/71/66/38/1062716638.db2.gz UIMAMWXZCODUNG-ROUUACIJSA-N 1 1 459.595 2.906 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001287231160 1062719531 /nfs/dbraw/zinc/71/95/31/1062719531.db2.gz DIVKLVNGRJPWDH-NJYVYQBISA-N 1 1 496.722 2.604 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290829094 1062722430 /nfs/dbraw/zinc/72/24/30/1062722430.db2.gz QVEYQHBACGURCX-BJKOFHAPSA-N 1 1 468.646 2.866 20 0 JFADMO Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001290841992 1062731160 /nfs/dbraw/zinc/73/11/60/1062731160.db2.gz IRBUYWWDWDNYOF-FQEVSTJZSA-N 1 1 472.609 2.508 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294948453 1062733854 /nfs/dbraw/zinc/73/38/54/1062733854.db2.gz ZPAKUBPKEXVLBS-SBUREZEXSA-N 1 1 461.632 2.751 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294948445 1062733907 /nfs/dbraw/zinc/73/39/07/1062733907.db2.gz ZPAKUBPKEXVLBS-GAJHUEQPSA-N 1 1 461.632 2.751 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294948456 1062734021 /nfs/dbraw/zinc/73/40/21/1062734021.db2.gz ZPAKUBPKEXVLBS-UZUQRXQVSA-N 1 1 461.632 2.751 20 0 JFADMO CN1CC[NH+](Cc2ccc(NC(=O)C3(C4(O)CN(C(=O)OC(C)(C)C)C4)CCC3)cc2)CC1 ZINC001290852512 1062737426 /nfs/dbraw/zinc/73/74/26/1062737426.db2.gz RAWQLYLDPASAKI-UHFFFAOYSA-N 1 1 458.603 2.525 20 0 JFADMO CCN1CC[NH+](Cc2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854820 1062738689 /nfs/dbraw/zinc/73/86/89/1062738689.db2.gz YFWUZYNNDMQERA-VWLOTQADSA-N 1 1 455.603 2.653 20 0 JFADMO CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287270731 1062745166 /nfs/dbraw/zinc/74/51/66/1062745166.db2.gz DELMTDFWIXWBHR-LJQANCHMSA-N 1 1 473.691 2.778 20 0 JFADMO CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287270731 1062745177 /nfs/dbraw/zinc/74/51/77/1062745177.db2.gz DELMTDFWIXWBHR-LJQANCHMSA-N 1 1 473.691 2.778 20 0 JFADMO CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287270731 1062745198 /nfs/dbraw/zinc/74/51/98/1062745198.db2.gz DELMTDFWIXWBHR-LJQANCHMSA-N 1 1 473.691 2.778 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001290861904 1062745921 /nfs/dbraw/zinc/74/59/21/1062745921.db2.gz AEDZLXYLRKZCML-OALUTQOASA-N 1 1 452.640 2.767 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC001294966655 1062748448 /nfs/dbraw/zinc/74/84/48/1062748448.db2.gz GVLZWMYBEZUWCW-UWWQBHOKSA-N 1 1 457.434 2.784 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC001294966655 1062748472 /nfs/dbraw/zinc/74/84/72/1062748472.db2.gz GVLZWMYBEZUWCW-UWWQBHOKSA-N 1 1 457.434 2.784 20 0 JFADMO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cn1 ZINC001294969387 1062751701 /nfs/dbraw/zinc/75/17/01/1062751701.db2.gz UYZBXZXRPSCTDE-RTBURBONSA-N 1 1 455.607 2.552 20 0 JFADMO Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001290876487 1062760294 /nfs/dbraw/zinc/76/02/94/1062760294.db2.gz NJIHDIHBEAMESC-UHFFFAOYSA-N 1 1 488.599 2.713 20 0 JFADMO CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294982479 1062766986 /nfs/dbraw/zinc/76/69/86/1062766986.db2.gz PMTMVGQFMGIAFA-FQEVSTJZSA-N 1 1 452.607 2.902 20 0 JFADMO C[C@H]1CCC[N@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891532 1062768838 /nfs/dbraw/zinc/76/88/38/1062768838.db2.gz NLUHBXBYLLGCAL-FUHWJXTLSA-N 1 1 459.450 2.891 20 0 JFADMO C[C@H]1CCC[N@@H+](CCNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891532 1062768856 /nfs/dbraw/zinc/76/88/56/1062768856.db2.gz NLUHBXBYLLGCAL-FUHWJXTLSA-N 1 1 459.450 2.891 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892081 1062769936 /nfs/dbraw/zinc/76/99/36/1062769936.db2.gz RSDQJQFUCSNLGN-WIYYLYMNSA-N 1 1 458.603 2.612 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001287298453 1062770536 /nfs/dbraw/zinc/77/05/36/1062770536.db2.gz BXLBATFBNGEDMN-GXRSIYKFSA-N 1 1 463.667 2.905 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294987009 1062774302 /nfs/dbraw/zinc/77/43/02/1062774302.db2.gz MDBQKEPTXIXIDM-HBMCJLEFSA-N 1 1 464.655 2.701 20 0 JFADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290902563 1062775826 /nfs/dbraw/zinc/77/58/26/1062775826.db2.gz LXGOTUIXICVRFC-OTWHNJEPSA-N 1 1 474.654 2.864 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H](OC3CCOCC3)c3ccccc3)cc2)CC1 ZINC001290908160 1062782987 /nfs/dbraw/zinc/78/29/87/1062782987.db2.gz IYSQEDDTPSJGAZ-XMMPIXPASA-N 1 1 451.567 2.627 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294997231 1062783849 /nfs/dbraw/zinc/78/38/49/1062783849.db2.gz GIISHKUZNXNKSD-MHTWAQMVSA-N 1 1 462.639 2.514 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295005317 1062792104 /nfs/dbraw/zinc/79/21/04/1062792104.db2.gz FBTWDZVKWCRLPT-FGZHOGPDSA-N 1 1 476.666 2.543 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 ZINC001290920037 1062795507 /nfs/dbraw/zinc/79/55/07/1062795507.db2.gz BVJDYTTXBGWYKA-IBGZPJMESA-N 1 1 454.562 2.989 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)C(F)F)c3)cc2)CC1 ZINC001290921022 1062796569 /nfs/dbraw/zinc/79/65/69/1062796569.db2.gz SAZOHWDEXWGAGS-UHFFFAOYSA-N 1 1 451.539 2.750 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295009579 1062797904 /nfs/dbraw/zinc/79/79/04/1062797904.db2.gz XTMWMEJVLULNIX-NLFFAJNJSA-N 1 1 473.618 2.718 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295014615 1062804041 /nfs/dbraw/zinc/80/40/41/1062804041.db2.gz DSWHZLMJPBEWSU-ONTIZHBOSA-N 1 1 496.722 2.938 20 0 JFADMO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340664 1062818322 /nfs/dbraw/zinc/81/83/22/1062818322.db2.gz HEVOKBJLYAHYCA-FGZHOGPDSA-N 1 1 458.655 2.552 20 0 JFADMO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290944601 1062818905 /nfs/dbraw/zinc/81/89/05/1062818905.db2.gz SJKZDWIUTMOUJP-UXHICEINSA-N 1 1 472.638 2.860 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287351987 1062824145 /nfs/dbraw/zinc/82/41/45/1062824145.db2.gz LHNWCLQHCWWLRW-VXKWHMMOSA-N 1 1 470.666 2.729 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287352692 1062824583 /nfs/dbraw/zinc/82/45/83/1062824583.db2.gz PRCFTJFKCCWRNJ-FGZHOGPDSA-N 1 1 470.666 2.873 20 0 JFADMO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001287357949 1062827599 /nfs/dbraw/zinc/82/75/99/1062827599.db2.gz XTCLVZOVQYCJFR-UHFFFAOYSA-N 1 1 469.678 2.645 20 0 JFADMO Nc1nc(C2CCCC2)ncc1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001290954792 1062829917 /nfs/dbraw/zinc/82/99/17/1062829917.db2.gz QPPMBWIUUUQTMB-UHFFFAOYSA-N 1 1 456.522 2.769 20 0 JFADMO CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001295026079 1062830551 /nfs/dbraw/zinc/83/05/51/1062830551.db2.gz PAUFQGSBELAJBM-OYNPSCLESA-N 1 1 460.648 2.960 20 0 JFADMO C[C@@H](CNC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290955056 1062830992 /nfs/dbraw/zinc/83/09/92/1062830992.db2.gz SIUGHFUYBFYVII-UWJYYQICSA-N 1 1 454.575 2.528 20 0 JFADMO CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287373077 1062832700 /nfs/dbraw/zinc/83/27/00/1062832700.db2.gz VAXRZLSSWIUKFA-SFTDATJTSA-N 1 1 484.645 2.696 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287385392 1062836571 /nfs/dbraw/zinc/83/65/71/1062836571.db2.gz PVEHSOLRRKLGQV-GBESFXJTSA-N 1 1 458.573 2.518 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001287404351 1062847314 /nfs/dbraw/zinc/84/73/14/1062847314.db2.gz XSZJSCYZWBJHSI-JPYJTQIMSA-N 1 1 450.628 2.691 20 0 JFADMO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287413409 1062852067 /nfs/dbraw/zinc/85/20/67/1062852067.db2.gz IKMWZVULCTZYJS-HXUWFJFHSA-N 1 1 476.691 2.857 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001287413833 1062853032 /nfs/dbraw/zinc/85/30/32/1062853032.db2.gz OVKXDPMJRQAFAV-VSKRKVRLSA-N 1 1 462.683 2.523 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001295054560 1062857981 /nfs/dbraw/zinc/85/79/81/1062857981.db2.gz BDJGQCQNBDCRQM-OALUTQOASA-N 1 1 488.608 2.725 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990729 1062884354 /nfs/dbraw/zinc/88/43/54/1062884354.db2.gz VVPGVJOJBMBOAP-PBQROFAYSA-N 1 1 476.666 2.557 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295067063 1062885784 /nfs/dbraw/zinc/88/57/84/1062885784.db2.gz VCEOBUCCIKDWAY-KDURUIRLSA-N 1 1 465.602 2.517 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295067063 1062885800 /nfs/dbraw/zinc/88/58/00/1062885800.db2.gz VCEOBUCCIKDWAY-KDURUIRLSA-N 1 1 465.602 2.517 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001287456640 1062893383 /nfs/dbraw/zinc/89/33/83/1062893383.db2.gz GYICACDNKSCSMF-UHFFFAOYSA-N 1 1 488.702 2.785 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287461670 1062898987 /nfs/dbraw/zinc/89/89/87/1062898987.db2.gz ABNHZRAZMGOHNJ-LEWJYISDSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287461670 1062899000 /nfs/dbraw/zinc/89/90/00/1062899000.db2.gz ABNHZRAZMGOHNJ-LEWJYISDSA-N 1 1 473.691 2.584 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295074383 1062900486 /nfs/dbraw/zinc/90/04/86/1062900486.db2.gz JDGVKDBZDNJIJX-QHCPKHFHSA-N 1 1 461.614 2.701 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295076826 1062904536 /nfs/dbraw/zinc/90/45/36/1062904536.db2.gz YZSPSXDEASMRHD-JOCHJYFZSA-N 1 1 461.614 2.701 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287463186 1062904586 /nfs/dbraw/zinc/90/45/86/1062904586.db2.gz WNJATQJDPHNVDP-UHFFFAOYSA-N 1 1 472.609 2.689 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287463186 1062904608 /nfs/dbraw/zinc/90/46/08/1062904608.db2.gz WNJATQJDPHNVDP-UHFFFAOYSA-N 1 1 472.609 2.689 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001295078926 1062908501 /nfs/dbraw/zinc/90/85/01/1062908501.db2.gz STWCEDLBIQKHOW-OALUTQOASA-N 1 1 457.596 2.679 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287465621 1062912933 /nfs/dbraw/zinc/91/29/33/1062912933.db2.gz ZAPIMGHHMLOCLC-FQEVSTJZSA-N 1 1 463.671 2.608 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287465625 1062913012 /nfs/dbraw/zinc/91/30/12/1062913012.db2.gz ZIKHPECHBCAJQG-UHFFFAOYSA-N 1 1 495.716 2.642 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011723 1062913167 /nfs/dbraw/zinc/91/31/67/1062913167.db2.gz OMRQJQHAUGSTKB-HSALFYBXSA-N 1 1 456.639 2.512 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012120 1062915572 /nfs/dbraw/zinc/91/55/72/1062915572.db2.gz UUVHJJCBJZAKSA-WPVAHCMFSA-N 1 1 452.669 2.635 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001287468925 1062916160 /nfs/dbraw/zinc/91/61/60/1062916160.db2.gz LCPWEZJVQXRTTC-SFHVURJKSA-N 1 1 468.693 2.749 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013088 1062918743 /nfs/dbraw/zinc/91/87/43/1062918743.db2.gz IQWJLXVJRFZKRI-OTWHNJEPSA-N 1 1 485.599 2.672 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291014135 1062922364 /nfs/dbraw/zinc/92/23/64/1062922364.db2.gz XWPRFDMQRZXYJH-JZXOWHBKSA-N 1 1 455.529 2.814 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291014137 1062923201 /nfs/dbraw/zinc/92/32/01/1062923201.db2.gz XWPRFDMQRZXYJH-SOLBZPMBSA-N 1 1 455.529 2.814 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014390 1062923636 /nfs/dbraw/zinc/92/36/36/1062923636.db2.gz CFHXHPDGIOPNRW-KDURUIRLSA-N 1 1 465.639 2.857 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291014947 1062924256 /nfs/dbraw/zinc/92/42/56/1062924256.db2.gz KTWDBONTRAAKEX-FUPPJEDESA-N 1 1 489.686 2.891 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(Br)n1 ZINC001287481429 1062936797 /nfs/dbraw/zinc/93/67/97/1062936797.db2.gz CNTVCJVYRYFESE-GOSISDBHSA-N 1 1 463.424 2.983 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](COC(C)C)C2)c1 ZINC001295126618 1062940889 /nfs/dbraw/zinc/94/08/89/1062940889.db2.gz FZVIPEMBCHBXRU-HSZRJFAPSA-N 1 1 484.645 2.644 20 0 JFADMO CC[N@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941558 /nfs/dbraw/zinc/94/15/58/1062941558.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 1 1 463.630 2.997 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCN(CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941578 /nfs/dbraw/zinc/94/15/78/1062941578.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 1 1 463.630 2.997 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](COC(C)C)C2)c1 ZINC001295126619 1062942111 /nfs/dbraw/zinc/94/21/11/1062942111.db2.gz FZVIPEMBCHBXRU-QHCPKHFHSA-N 1 1 484.645 2.644 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001295126950 1062944406 /nfs/dbraw/zinc/94/44/06/1062944406.db2.gz KDLCXOCNEVYXMZ-QFIPXVFZSA-N 1 1 499.685 2.549 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001287487318 1062944544 /nfs/dbraw/zinc/94/45/44/1062944544.db2.gz QUTGDUCQFPDVSF-OAQYLSRUSA-N 1 1 454.619 2.592 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC001295127262 1062945701 /nfs/dbraw/zinc/94/57/01/1062945701.db2.gz NLBIZYQMPIMSCZ-UHFFFAOYSA-N 1 1 468.646 2.977 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001295127274 1062945757 /nfs/dbraw/zinc/94/57/57/1062945757.db2.gz NWJPHKMCKDTMKH-OAQYLSRUSA-N 1 1 458.607 2.816 20 0 JFADMO CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001287488315 1062946368 /nfs/dbraw/zinc/94/63/68/1062946368.db2.gz XXUHYMURNCZEED-XLIONFOSSA-N 1 1 460.026 2.989 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCN(C(=O)[C@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001295127512 1062946443 /nfs/dbraw/zinc/94/64/43/1062946443.db2.gz RKBYCRHHUYOOKP-JOCHJYFZSA-N 1 1 468.646 2.903 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001287488488 1062946959 /nfs/dbraw/zinc/94/69/59/1062946959.db2.gz ZGMZBVLZBNPYPE-HXUWFJFHSA-N 1 1 474.675 2.611 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001295128013 1062948150 /nfs/dbraw/zinc/94/81/50/1062948150.db2.gz YRLPJRVDUKAFGH-UHFFFAOYSA-N 1 1 493.660 2.762 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@H]2C)c1 ZINC001295131704 1062949270 /nfs/dbraw/zinc/94/92/70/1062949270.db2.gz HJTSVUCNTCKKQP-YGOYIFOWSA-N 1 1 484.645 2.559 20 0 JFADMO CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC001295133855 1062951004 /nfs/dbraw/zinc/95/10/04/1062951004.db2.gz BBMVNHTVBDRYPJ-HXUWFJFHSA-N 1 1 461.655 2.518 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295134845 1062951770 /nfs/dbraw/zinc/95/17/70/1062951770.db2.gz NKXYQOBWDVQMAO-NQIIRXRSSA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295134845 1062951785 /nfs/dbraw/zinc/95/17/85/1062951785.db2.gz NKXYQOBWDVQMAO-NQIIRXRSSA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](C)C1CCC1 ZINC001295144995 1062963656 /nfs/dbraw/zinc/96/36/56/1062963656.db2.gz MNXKDQNOCCMCNC-SJORKVTESA-N 1 1 486.646 2.841 20 0 JFADMO CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001287572412 1062990650 /nfs/dbraw/zinc/99/06/50/1062990650.db2.gz CJYCEVIGLYNRNS-QFIPXVFZSA-N 1 1 454.619 2.611 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287583496 1062995220 /nfs/dbraw/zinc/99/52/20/1062995220.db2.gz SLPQHTNVJVTZPG-PKTZIBPZSA-N 1 1 489.686 2.954 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287583496 1062995243 /nfs/dbraw/zinc/99/52/43/1062995243.db2.gz SLPQHTNVJVTZPG-PKTZIBPZSA-N 1 1 489.686 2.954 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[N@@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295176082 1063000342 /nfs/dbraw/zinc/00/03/42/1063000342.db2.gz NYXDLEQWNKTTOD-LJQANCHMSA-N 1 1 491.658 2.850 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291063022 1063002681 /nfs/dbraw/zinc/00/26/81/1063002681.db2.gz IYMBHAOCRCCTAU-IRXDYDNUSA-N 1 1 474.675 2.942 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291063022 1063002702 /nfs/dbraw/zinc/00/27/02/1063002702.db2.gz IYMBHAOCRCCTAU-IRXDYDNUSA-N 1 1 474.675 2.942 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001287635765 1063014805 /nfs/dbraw/zinc/01/48/05/1063014805.db2.gz JGUOEGDENAEBGO-QFIPXVFZSA-N 1 1 484.645 2.663 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCNC(=O)C(C)C)cc1 ZINC001287635765 1063014829 /nfs/dbraw/zinc/01/48/29/1063014829.db2.gz JGUOEGDENAEBGO-QFIPXVFZSA-N 1 1 484.645 2.663 20 0 JFADMO CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295195960 1063017405 /nfs/dbraw/zinc/01/74/05/1063017405.db2.gz UFHGCUZHZGQTFW-UXHICEINSA-N 1 1 460.648 2.782 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287642715 1063019426 /nfs/dbraw/zinc/01/94/26/1063019426.db2.gz AXCIFPUFNMRNLR-RBBKRZOGSA-N 1 1 476.666 2.762 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC001295215314 1063028435 /nfs/dbraw/zinc/02/84/35/1063028435.db2.gz CXPLBKBFPRAXRG-IFMALSPDSA-N 1 1 496.722 2.748 20 0 JFADMO CC(C)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287686594 1063038380 /nfs/dbraw/zinc/03/83/80/1063038380.db2.gz AJDCPFCNXZTQIU-UHFFFAOYSA-N 1 1 483.705 2.846 20 0 JFADMO CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295220307 1063038506 /nfs/dbraw/zinc/03/85/06/1063038506.db2.gz WTGVOKJICDOJHL-JOCHJYFZSA-N 1 1 489.686 2.761 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC001295220216 1063038865 /nfs/dbraw/zinc/03/88/65/1063038865.db2.gz VBNVAWRFFMMLAX-WOJBJXKFSA-N 1 1 470.684 2.500 20 0 JFADMO CCC[C@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC[N@H+]1CCOC ZINC001295222774 1063042804 /nfs/dbraw/zinc/04/28/04/1063042804.db2.gz CTPLHGXPTHNVAR-PMACEKPBSA-N 1 1 454.409 2.976 20 0 JFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC001295227480 1063048879 /nfs/dbraw/zinc/04/88/79/1063048879.db2.gz NKLINVJZGBCEFI-UHFFFAOYSA-N 1 1 457.662 2.743 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229977 1063052874 /nfs/dbraw/zinc/05/28/74/1063052874.db2.gz SPAARASTJCYUHG-RBBKRZOGSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097045 1063059632 /nfs/dbraw/zinc/05/96/32/1063059632.db2.gz PBJYNJPTPURHIJ-UXHICEINSA-N 1 1 488.681 2.514 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736521 1063059547 /nfs/dbraw/zinc/05/95/47/1063059547.db2.gz ATYJWHNCRUKKIL-HAGHYFMRSA-N 1 1 452.669 2.635 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C ZINC001291097775 1063060844 /nfs/dbraw/zinc/06/08/44/1063060844.db2.gz BNLHFAHSPMIPCO-LJQANCHMSA-N 1 1 456.639 2.817 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291098108 1063060885 /nfs/dbraw/zinc/06/08/85/1063060885.db2.gz IAFKHWWFVIUVDR-MSOLQXFVSA-N 1 1 472.556 2.823 20 0 JFADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001295241150 1063061456 /nfs/dbraw/zinc/06/14/56/1063061456.db2.gz OSJTUNZKGVCLEZ-RBUKOAKNSA-N 1 1 451.567 2.829 20 0 JFADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 ZINC001295241199 1063061920 /nfs/dbraw/zinc/06/19/20/1063061920.db2.gz PUMMBUGTKNAZOZ-TZMCWYRMSA-N 1 1 458.344 2.619 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1 ZINC001291098493 1063062658 /nfs/dbraw/zinc/06/26/58/1063062658.db2.gz OWSVJHISCZAISE-MRXNPFEDSA-N 1 1 461.408 2.908 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287739572 1063062643 /nfs/dbraw/zinc/06/26/43/1063062643.db2.gz SMDTYYHPKANIFS-GOSISDBHSA-N 1 1 451.612 2.933 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 ZINC001291099049 1063063793 /nfs/dbraw/zinc/06/37/93/1063063793.db2.gz ATEDOFLNJIQDTQ-FPOVZHCZSA-N 1 1 482.695 2.644 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001287740760 1063066412 /nfs/dbraw/zinc/06/64/12/1063066412.db2.gz GHUXQCUSKQOFQY-FQEVSTJZSA-N 1 1 455.651 2.983 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001291100026 1063067312 /nfs/dbraw/zinc/06/73/12/1063067312.db2.gz RDBWPIWVJVFXEY-NRFANRHFSA-N 1 1 475.682 2.705 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001291100215 1063067404 /nfs/dbraw/zinc/06/74/04/1063067404.db2.gz VTHJJGLRRQKMMQ-ICSRJNTNSA-N 1 1 496.703 2.573 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001291100904 1063069256 /nfs/dbraw/zinc/06/92/56/1063069256.db2.gz JUOAFYTWGBVJGK-GOSISDBHSA-N 1 1 486.646 2.937 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100946 1063069760 /nfs/dbraw/zinc/06/97/60/1063069760.db2.gz KOIGLPZRWCMANA-GFTAFNIFSA-N 1 1 476.666 2.700 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(N3CCC(N(C)S(C)(=O)=O)CC3)nnc2C(C)(C)C)C1 ZINC001287743044 1063070450 /nfs/dbraw/zinc/07/04/50/1063070450.db2.gz SBJNUIFTHHAMFJ-IBGZPJMESA-N 1 1 468.712 2.804 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001287743554 1063071027 /nfs/dbraw/zinc/07/10/27/1063071027.db2.gz YKNLAACGHIGKSS-ROUUACIJSA-N 1 1 466.677 2.641 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291101354 1063072141 /nfs/dbraw/zinc/07/21/41/1063072141.db2.gz RONCQIOUCNYPCM-GOSISDBHSA-N 1 1 490.603 2.823 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001291101378 1063072220 /nfs/dbraw/zinc/07/22/20/1063072220.db2.gz SHUDCYQZSZCCKS-IBGZPJMESA-N 1 1 476.666 2.860 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001291101784 1063073710 /nfs/dbraw/zinc/07/37/10/1063073710.db2.gz BHQHKNRRKOBSRZ-GOSISDBHSA-N 1 1 473.666 2.898 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102101 1063074702 /nfs/dbraw/zinc/07/47/02/1063074702.db2.gz HOSIDMITZOUPPT-SBHAEUEKSA-N 1 1 496.722 2.652 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102299 1063077031 /nfs/dbraw/zinc/07/70/31/1063077031.db2.gz KSSJIWNBCAMXEB-ZACQAIPSSA-N 1 1 476.638 2.880 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001291102526 1063078252 /nfs/dbraw/zinc/07/82/52/1063078252.db2.gz OQPQDLIMSCKOPH-KZNAEPCWSA-N 1 1 485.599 2.813 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103005 1063078791 /nfs/dbraw/zinc/07/87/91/1063078791.db2.gz WTIDFDHMDDPUMW-WOJBJXKFSA-N 1 1 480.723 2.611 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103355 1063079958 /nfs/dbraw/zinc/07/99/58/1063079958.db2.gz CGKCCXMXRUNHRR-NHCUHLMSSA-N 1 1 495.672 2.560 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103371 1063080956 /nfs/dbraw/zinc/08/09/56/1063080956.db2.gz CQRBNYHWFCGWSE-WOJBJXKFSA-N 1 1 473.691 2.920 20 0 JFADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291103949 1063082346 /nfs/dbraw/zinc/08/23/46/1063082346.db2.gz MSHUWHUFBUDUAC-SLFFLAALSA-N 1 1 489.665 2.738 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104178 1063082893 /nfs/dbraw/zinc/08/28/93/1063082893.db2.gz QKDRYKXYXHMALZ-FGTMMUONSA-N 1 1 461.636 2.571 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291104280 1063083773 /nfs/dbraw/zinc/08/37/73/1063083773.db2.gz RUQJUCWYJJUMJL-PMACEKPBSA-N 1 1 469.634 2.569 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1=O ZINC001287758801 1063084977 /nfs/dbraw/zinc/08/49/77/1063084977.db2.gz DMSQGUCZAAFAAN-GMAHTHKFSA-N 1 1 495.672 2.581 20 0 JFADMO C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104889 1063085155 /nfs/dbraw/zinc/08/51/55/1063085155.db2.gz BJXSOJWPVXXPPX-QZTJIDSGSA-N 1 1 473.647 2.532 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295267347 1063086682 /nfs/dbraw/zinc/08/66/82/1063086682.db2.gz UIXPLZGJRBQKHU-OALUTQOASA-N 1 1 454.685 2.772 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105746 1063088916 /nfs/dbraw/zinc/08/89/16/1063088916.db2.gz NEUZOOWOISTUAZ-KZNAEPCWSA-N 1 1 466.627 2.784 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105887 1063089722 /nfs/dbraw/zinc/08/97/22/1063089722.db2.gz PBZTUUZZGCNGPI-OALUTQOASA-N 1 1 460.648 2.584 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106023 1063091036 /nfs/dbraw/zinc/09/10/36/1063091036.db2.gz QREMFRBREHIZAH-FGZHOGPDSA-N 1 1 459.683 2.656 20 0 JFADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106518 1063092657 /nfs/dbraw/zinc/09/26/57/1063092657.db2.gz XDBUHLAFJFBBBT-MOPGFXCFSA-N 1 1 485.658 2.839 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106543 1063092695 /nfs/dbraw/zinc/09/26/95/1063092695.db2.gz XHBZEQAJHDNEDZ-WTGUMLROSA-N 1 1 489.665 2.843 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106545 1063093091 /nfs/dbraw/zinc/09/30/91/1063093091.db2.gz XHBZEQAJHDNEDZ-ZRNYENFQSA-N 1 1 489.665 2.843 20 0 JFADMO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106664 1063093768 /nfs/dbraw/zinc/09/37/68/1063093768.db2.gz YVMNGTCPLYPYSV-IRXDYDNUSA-N 1 1 462.545 2.993 20 0 JFADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107886 1063098074 /nfs/dbraw/zinc/09/80/74/1063098074.db2.gz NRPUKAGCSZEPIC-AABGKKOBSA-N 1 1 466.696 2.774 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291108304 1063099875 /nfs/dbraw/zinc/09/98/75/1063099875.db2.gz UDGAXXRDCKSKHW-RTWAWAEBSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001291108915 1063102194 /nfs/dbraw/zinc/10/21/94/1063102194.db2.gz CMOZMGNQMUJELL-LGVFNWMJSA-N 1 1 459.639 2.772 20 0 JFADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291109099 1063103348 /nfs/dbraw/zinc/10/33/48/1063103348.db2.gz GPVWBCRQNPABAH-OTWHNJEPSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001291120764 1063132049 /nfs/dbraw/zinc/13/20/49/1063132049.db2.gz JHIZCGJDGDVGGK-RBBKRZOGSA-N 1 1 453.635 2.833 20 0 JFADMO C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001291120762 1063132228 /nfs/dbraw/zinc/13/22/28/1063132228.db2.gz JHIZCGJDGDVGGK-IFMALSPDSA-N 1 1 453.635 2.833 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C3CCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001291124398 1063142624 /nfs/dbraw/zinc/14/26/24/1063142624.db2.gz CPEMONWXQSYXPK-GOSISDBHSA-N 1 1 452.669 2.576 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124554 1063143857 /nfs/dbraw/zinc/14/38/57/1063143857.db2.gz GNOVOIFLWLARHJ-IFMALSPDSA-N 1 1 496.722 2.892 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295293084 1063144206 /nfs/dbraw/zinc/14/42/06/1063144206.db2.gz FUIFPRVWANCNGE-DHLKQENFSA-N 1 1 450.587 2.583 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001291125424 1063147870 /nfs/dbraw/zinc/14/78/70/1063147870.db2.gz UUCLQINPHUMKAG-MSOLQXFVSA-N 1 1 466.677 2.785 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125667 1063148626 /nfs/dbraw/zinc/14/86/26/1063148626.db2.gz YTEHRKMHHKQIFP-LJQANCHMSA-N 1 1 480.704 2.524 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001291125542 1063148963 /nfs/dbraw/zinc/14/89/63/1063148963.db2.gz WIGXDZYINKJCPH-IBGZPJMESA-N 1 1 468.712 2.897 20 0 JFADMO C[C@@H]1CCC[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001291125684 1063149800 /nfs/dbraw/zinc/14/98/00/1063149800.db2.gz ZFAYWFNARHXVCB-MLNNCEHLSA-N 1 1 496.722 2.748 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291125892 1063151059 /nfs/dbraw/zinc/15/10/59/1063151059.db2.gz CUFWZOGVQZAHFB-NJDAHSKKSA-N 1 1 481.707 2.944 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)CC2)cc1 ZINC001295301031 1063155376 /nfs/dbraw/zinc/15/53/76/1063155376.db2.gz GEGSPQVDSOLNDQ-UHFFFAOYSA-N 1 1 477.613 2.639 20 0 JFADMO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126885 1063156703 /nfs/dbraw/zinc/15/67/03/1063156703.db2.gz VEIWWFYPYDZXRY-QZTJIDSGSA-N 1 1 452.625 2.628 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@@](C)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126929 1063156756 /nfs/dbraw/zinc/15/67/56/1063156756.db2.gz VSALZEXFEQYQTR-HYHKQLJDSA-N 1 1 460.648 2.522 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291126965 1063158069 /nfs/dbraw/zinc/15/80/69/1063158069.db2.gz WMARPYUGEOVDFK-QZTJIDSGSA-N 1 1 467.611 2.770 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126965 1063158078 /nfs/dbraw/zinc/15/80/78/1063158078.db2.gz WMARPYUGEOVDFK-QZTJIDSGSA-N 1 1 467.611 2.770 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127123 1063160350 /nfs/dbraw/zinc/16/03/50/1063160350.db2.gz ZAZDIDFXQCNUQO-ZWKOTPCHSA-N 1 1 458.582 2.991 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127099 1063160356 /nfs/dbraw/zinc/16/03/56/1063160356.db2.gz YQFRHIMKEPQEDB-SFTDATJTSA-N 1 1 481.645 2.638 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127858 1063161872 /nfs/dbraw/zinc/16/18/72/1063161872.db2.gz NHBZKANYINTTFZ-PMACEKPBSA-N 1 1 485.658 2.732 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291128646 1063164130 /nfs/dbraw/zinc/16/41/30/1063164130.db2.gz ACEDQVYSWVWLJJ-HKUYNNGSSA-N 1 1 479.551 2.501 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128580 1063164483 /nfs/dbraw/zinc/16/44/83/1063164483.db2.gz ZGHWDOHRUKSNQY-GOSISDBHSA-N 1 1 480.617 2.534 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291128737 1063165355 /nfs/dbraw/zinc/16/53/55/1063165355.db2.gz BLONYTCXKPEEHD-SFHVURJKSA-N 1 1 479.622 2.742 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128768 1063166598 /nfs/dbraw/zinc/16/65/98/1063166598.db2.gz CHGKCHCYGNSZJC-KCZVDYSFSA-N 1 1 460.667 2.891 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295306348 1063170292 /nfs/dbraw/zinc/17/02/92/1063170292.db2.gz UAZLCTQCXWJDHV-OAQYLSRUSA-N 1 1 487.693 2.863 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129492 1063172203 /nfs/dbraw/zinc/17/22/03/1063172203.db2.gz OYLGKPOMRYUUNA-PMACEKPBSA-N 1 1 472.659 2.882 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(CC3CC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001291129506 1063172316 /nfs/dbraw/zinc/17/23/16/1063172316.db2.gz POIJVFKDJPTJSD-INIZCTEOSA-N 1 1 456.557 2.857 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291131111 1063178950 /nfs/dbraw/zinc/17/89/50/1063178950.db2.gz VKPKMHQNLLHXDF-XUVXKRRUSA-N 1 1 478.638 2.591 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295313703 1063183474 /nfs/dbraw/zinc/18/34/74/1063183474.db2.gz MQXHNYPTBLVRCJ-NFBKMPQASA-N 1 1 484.645 2.759 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccco1 ZINC001291135656 1063187744 /nfs/dbraw/zinc/18/77/44/1063187744.db2.gz HAUQOWCFVDGXOM-GOSISDBHSA-N 1 1 472.615 2.909 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295315203 1063188353 /nfs/dbraw/zinc/18/83/53/1063188353.db2.gz VFZLEPXHZHBBIZ-SFHVURJKSA-N 1 1 479.000 2.907 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295315203 1063188363 /nfs/dbraw/zinc/18/83/63/1063188363.db2.gz VFZLEPXHZHBBIZ-SFHVURJKSA-N 1 1 479.000 2.907 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291135907 1063189954 /nfs/dbraw/zinc/18/99/54/1063189954.db2.gz MEIPONAGFMPTTO-LSDHHAIUSA-N 1 1 479.398 2.998 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291136164 1063190820 /nfs/dbraw/zinc/19/08/20/1063190820.db2.gz RFHRBHJDRWRIOY-RBUKOAKNSA-N 1 1 488.658 2.599 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295315708 1063191500 /nfs/dbraw/zinc/19/15/00/1063191500.db2.gz ZRRUOOAULQUDOI-AZUAARDMSA-N 1 1 490.052 2.799 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291136740 1063194250 /nfs/dbraw/zinc/19/42/50/1063194250.db2.gz CSYHIYYDRMTVEG-AWEZNQCLSA-N 1 1 451.501 2.552 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291137379 1063195473 /nfs/dbraw/zinc/19/54/73/1063195473.db2.gz PQXASWMOAZKFCK-STQMWFEESA-N 1 1 455.426 2.954 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291137586 1063196985 /nfs/dbraw/zinc/19/69/85/1063196985.db2.gz TWYWVRDFQWEQAI-KBPBESRZSA-N 1 1 467.437 2.920 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCS(C)(=O)=O ZINC001291137711 1063197826 /nfs/dbraw/zinc/19/78/26/1063197826.db2.gz WFSAMBFATGIHNP-OAHLLOKOSA-N 1 1 470.437 2.673 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137605 1063197956 /nfs/dbraw/zinc/19/79/56/1063197956.db2.gz TZOAOUAGVGDHEQ-ZWKOTPCHSA-N 1 1 456.595 2.665 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001291138002 1063200057 /nfs/dbraw/zinc/20/00/57/1063200057.db2.gz BFCYKAGXXPVKIH-RBUKOAKNSA-N 1 1 454.619 2.951 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001291138632 1063200866 /nfs/dbraw/zinc/20/08/66/1063200866.db2.gz NKPDXFXRAGBYFW-NJYVYQBISA-N 1 1 492.665 2.934 20 0 JFADMO CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001295324606 1063209231 /nfs/dbraw/zinc/20/92/31/1063209231.db2.gz WCQIZQKBNSLRDI-HXUWFJFHSA-N 1 1 453.568 2.881 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccs2)CC1 ZINC001295326784 1063216055 /nfs/dbraw/zinc/21/60/55/1063216055.db2.gz APEJXYVRWAYAHA-UHFFFAOYSA-N 1 1 453.616 2.830 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccs2)CC1 ZINC001295326784 1063216073 /nfs/dbraw/zinc/21/60/73/1063216073.db2.gz APEJXYVRWAYAHA-UHFFFAOYSA-N 1 1 453.616 2.830 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)O)CC1 ZINC001295326946 1063218718 /nfs/dbraw/zinc/21/87/18/1063218718.db2.gz HQKZCHXSBSQDLO-UHFFFAOYSA-N 1 1 467.618 2.578 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)O)CC1 ZINC001295326946 1063218741 /nfs/dbraw/zinc/21/87/41/1063218741.db2.gz HQKZCHXSBSQDLO-UHFFFAOYSA-N 1 1 467.618 2.578 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(COC)cc2)CC1 ZINC001295327054 1063219944 /nfs/dbraw/zinc/21/99/44/1063219944.db2.gz MBFYPUCKPSWPBS-UHFFFAOYSA-N 1 1 491.640 2.915 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(COC)cc2)CC1 ZINC001295327054 1063219958 /nfs/dbraw/zinc/21/99/58/1063219958.db2.gz MBFYPUCKPSWPBS-UHFFFAOYSA-N 1 1 491.640 2.915 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295327269 1063221955 /nfs/dbraw/zinc/22/19/55/1063221955.db2.gz PZOVLJVWHFSICX-RUZDIDTESA-N 1 1 472.609 2.583 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295327269 1063221973 /nfs/dbraw/zinc/22/19/73/1063221973.db2.gz PZOVLJVWHFSICX-RUZDIDTESA-N 1 1 472.609 2.583 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001295327268 1063222237 /nfs/dbraw/zinc/22/22/37/1063222237.db2.gz PXZBWKMCKVPARY-SANMLTNESA-N 1 1 479.629 2.561 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001295327268 1063222256 /nfs/dbraw/zinc/22/22/56/1063222256.db2.gz PXZBWKMCKVPARY-SANMLTNESA-N 1 1 479.629 2.561 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295327607 1063224906 /nfs/dbraw/zinc/22/49/06/1063224906.db2.gz YWDZJEUVHBLCGD-GMAHTHKFSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295327607 1063224925 /nfs/dbraw/zinc/22/49/25/1063224925.db2.gz YWDZJEUVHBLCGD-GMAHTHKFSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295327574 1063225103 /nfs/dbraw/zinc/22/51/03/1063225103.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 1 1 483.636 2.727 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCOC(F)(F)F)CC1 ZINC001295329332 1063228516 /nfs/dbraw/zinc/22/85/16/1063228516.db2.gz SQCBUAQWFPYJFB-UHFFFAOYSA-N 1 1 462.561 2.883 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCOC(F)(F)F)CC1 ZINC001295329332 1063228533 /nfs/dbraw/zinc/22/85/33/1063228533.db2.gz SQCBUAQWFPYJFB-UHFFFAOYSA-N 1 1 462.561 2.883 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CCc3ccccc32)CC1 ZINC001295329665 1063229384 /nfs/dbraw/zinc/22/93/84/1063229384.db2.gz UNHDUNGSWOPJJQ-AREMUKBSSA-N 1 1 468.646 2.616 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@]2(O)CCc3ccccc32)CC1 ZINC001295329665 1063229402 /nfs/dbraw/zinc/22/94/02/1063229402.db2.gz UNHDUNGSWOPJJQ-AREMUKBSSA-N 1 1 468.646 2.616 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1(C)C ZINC001291146578 1063231511 /nfs/dbraw/zinc/23/15/11/1063231511.db2.gz HLXSGMSWOUWEID-BXKMTCNYSA-N 1 1 475.037 2.801 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1(C)C ZINC001291146581 1063231708 /nfs/dbraw/zinc/23/17/08/1063231708.db2.gz HLXSGMSWOUWEID-XDHUDOTRSA-N 1 1 475.037 2.801 20 0 JFADMO CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001291146847 1063232016 /nfs/dbraw/zinc/23/20/16/1063232016.db2.gz LLUIQLCGPGTDPD-UHFFFAOYSA-N 1 1 461.010 2.820 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@H]2C)CC1 ZINC001295333833 1063233966 /nfs/dbraw/zinc/23/39/66/1063233966.db2.gz BJOTXNVQYXSRNK-TZIWHRDSSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@H]2C)CC1 ZINC001295333833 1063233984 /nfs/dbraw/zinc/23/39/84/1063233984.db2.gz BJOTXNVQYXSRNK-TZIWHRDSSA-N 1 1 454.619 2.839 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001291147728 1063234387 /nfs/dbraw/zinc/23/43/87/1063234387.db2.gz DHTDPHIIRSFBJO-DFEOGRTESA-N 1 1 466.677 2.879 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001291147730 1063234424 /nfs/dbraw/zinc/23/44/24/1063234424.db2.gz DHTDPHIIRSFBJO-SFNKJDCFSA-N 1 1 466.677 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 ZINC001295333914 1063234799 /nfs/dbraw/zinc/23/47/99/1063234799.db2.gz DIRYXXWVCBBPAD-VQTJNVASSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 ZINC001295333914 1063234816 /nfs/dbraw/zinc/23/48/16/1063234816.db2.gz DIRYXXWVCBBPAD-VQTJNVASSA-N 1 1 489.690 2.813 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001291148233 1063234964 /nfs/dbraw/zinc/23/49/64/1063234964.db2.gz NQXDQKOLJVKQCY-RVKKMQEKSA-N 1 1 455.028 2.691 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295334049 1063235357 /nfs/dbraw/zinc/23/53/57/1063235357.db2.gz GSPXIRGFCZMNFS-XUZZJYLKSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295334049 1063235376 /nfs/dbraw/zinc/23/53/76/1063235376.db2.gz GSPXIRGFCZMNFS-XUZZJYLKSA-N 1 1 462.683 2.918 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC001291150342 1063237403 /nfs/dbraw/zinc/23/74/03/1063237403.db2.gz ALTDDJDYSWCYNQ-RTBURBONSA-N 1 1 490.674 2.541 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295334365 1063237885 /nfs/dbraw/zinc/23/78/85/1063237885.db2.gz LZSLRAKHTJCYLP-PMACEKPBSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295334365 1063237906 /nfs/dbraw/zinc/23/79/06/1063237906.db2.gz LZSLRAKHTJCYLP-PMACEKPBSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2cccs2)CC1 ZINC001295334362 1063238018 /nfs/dbraw/zinc/23/80/18/1063238018.db2.gz LSLLUNDNAGTYIW-FQEVSTJZSA-N 1 1 474.675 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCc2cccs2)CC1 ZINC001295334362 1063238040 /nfs/dbraw/zinc/23/80/40/1063238040.db2.gz LSLLUNDNAGTYIW-FQEVSTJZSA-N 1 1 474.675 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccs2)CC1 ZINC001295334363 1063238277 /nfs/dbraw/zinc/23/82/77/1063238277.db2.gz LSLLUNDNAGTYIW-HXUWFJFHSA-N 1 1 474.675 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccs2)CC1 ZINC001295334363 1063238291 /nfs/dbraw/zinc/23/82/91/1063238291.db2.gz LSLLUNDNAGTYIW-HXUWFJFHSA-N 1 1 474.675 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)no2)CC1 ZINC001295334555 1063240651 /nfs/dbraw/zinc/24/06/51/1063240651.db2.gz BWCMJIFJLIPNBT-UHFFFAOYSA-N 1 1 499.591 2.721 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)no2)CC1 ZINC001295334555 1063240672 /nfs/dbraw/zinc/24/06/72/1063240672.db2.gz BWCMJIFJLIPNBT-UHFFFAOYSA-N 1 1 499.591 2.721 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001291152372 1063242297 /nfs/dbraw/zinc/24/22/97/1063242297.db2.gz MQEDZLQVCSJGHP-RTBURBONSA-N 1 1 461.632 2.696 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2Cc2cccn(CC)c2=O)CC1 ZINC001295334696 1063242663 /nfs/dbraw/zinc/24/26/63/1063242663.db2.gz SNLKSHKVIMUBMN-UHFFFAOYSA-N 1 1 497.688 2.621 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2Cc2cccn(CC)c2=O)CC1 ZINC001295334696 1063242691 /nfs/dbraw/zinc/24/26/91/1063242691.db2.gz SNLKSHKVIMUBMN-UHFFFAOYSA-N 1 1 497.688 2.621 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295334860 1063243971 /nfs/dbraw/zinc/24/39/71/1063243971.db2.gz UYBOJKIOZRHVFL-HHHXNRCGSA-N 1 1 484.689 2.965 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295334860 1063243987 /nfs/dbraw/zinc/24/39/87/1063243987.db2.gz UYBOJKIOZRHVFL-HHHXNRCGSA-N 1 1 484.689 2.965 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001295334901 1063244864 /nfs/dbraw/zinc/24/48/64/1063244864.db2.gz WLZRYWKRYCXHMB-UHFFFAOYSA-N 1 1 487.615 2.810 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001295334901 1063244878 /nfs/dbraw/zinc/24/48/78/1063244878.db2.gz WLZRYWKRYCXHMB-UHFFFAOYSA-N 1 1 487.615 2.810 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291159176 1063244845 /nfs/dbraw/zinc/24/48/45/1063244845.db2.gz JPXUJMMMHMQWFZ-OAQYLSRUSA-N 1 1 498.653 2.502 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295334862 1063245034 /nfs/dbraw/zinc/24/50/34/1063245034.db2.gz UYCVKBMFXAVWCF-GBXCKJPGSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295334862 1063245051 /nfs/dbraw/zinc/24/50/51/1063245051.db2.gz UYCVKBMFXAVWCF-GBXCKJPGSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 ZINC001295334864 1063245223 /nfs/dbraw/zinc/24/52/23/1063245223.db2.gz UYCVKBMFXAVWCF-RDPSFJRHSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 ZINC001295334864 1063245244 /nfs/dbraw/zinc/24/52/44/1063245244.db2.gz UYCVKBMFXAVWCF-RDPSFJRHSA-N 1 1 478.707 2.838 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001291164361 1063248605 /nfs/dbraw/zinc/24/86/05/1063248605.db2.gz TYKVJXUEIQIQOQ-MIOZMULLSA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295335105 1063249508 /nfs/dbraw/zinc/24/95/08/1063249508.db2.gz YYNCLPOFZGFMAT-UXHICEINSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295335105 1063249520 /nfs/dbraw/zinc/24/95/20/1063249520.db2.gz YYNCLPOFZGFMAT-UXHICEINSA-N 1 1 482.620 2.988 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001291167917 1063257779 /nfs/dbraw/zinc/25/77/79/1063257779.db2.gz WTUCRDWCRGWRIU-NJDAHSKKSA-N 1 1 492.665 2.670 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295336358 1063258056 /nfs/dbraw/zinc/25/80/56/1063258056.db2.gz PIKUGLLMMQQNMQ-OAQYLSRUSA-N 1 1 484.693 2.774 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295355558 1063310018 /nfs/dbraw/zinc/31/00/18/1063310018.db2.gz NBCKSCSBPZYGMF-YADHBBJMSA-N 1 1 475.682 2.734 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001291200903 1063356528 /nfs/dbraw/zinc/35/65/28/1063356528.db2.gz MISMGVPZHNRXNN-WBVHZDCISA-N 1 1 463.424 2.938 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295405725 1063394318 /nfs/dbraw/zinc/39/43/18/1063394318.db2.gz IAVGLXVKOKHYRN-RTBURBONSA-N 1 1 467.661 2.899 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291212454 1063398972 /nfs/dbraw/zinc/39/89/72/1063398972.db2.gz OJSRCHVJRYWIMN-SFHVURJKSA-N 1 1 496.077 2.970 20 0 JFADMO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001291213339 1063404262 /nfs/dbraw/zinc/40/42/62/1063404262.db2.gz DEDLHYGPBZXJSP-MSOLQXFVSA-N 1 1 490.674 2.682 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215770 1063429382 /nfs/dbraw/zinc/42/93/82/1063429382.db2.gz VNKJIZCNAQXBSU-OALUTQOASA-N 1 1 461.632 2.694 20 0 JFADMO CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCOCC1 ZINC001295442165 1063447677 /nfs/dbraw/zinc/44/76/77/1063447677.db2.gz CFZIUGYWWJPLBS-UHFFFAOYSA-N 1 1 453.591 2.804 20 0 JFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001295448481 1063452963 /nfs/dbraw/zinc/45/29/63/1063452963.db2.gz UQFQAGDGUTWJJU-INIZCTEOSA-N 1 1 452.393 2.619 20 0 JFADMO CC(=O)N[C@@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001295449056 1063453655 /nfs/dbraw/zinc/45/36/55/1063453655.db2.gz XNBABYHBLCHWFE-IBGZPJMESA-N 1 1 454.409 2.833 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001291232354 1063490096 /nfs/dbraw/zinc/49/00/96/1063490096.db2.gz LQYGGBMMYJYPGN-LJQANCHMSA-N 1 1 473.622 2.802 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291234124 1063494864 /nfs/dbraw/zinc/49/48/64/1063494864.db2.gz QBRIOUVKYUSCTL-SFHVURJKSA-N 1 1 473.622 2.830 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291234124 1063494876 /nfs/dbraw/zinc/49/48/76/1063494876.db2.gz QBRIOUVKYUSCTL-SFHVURJKSA-N 1 1 473.622 2.830 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291238125 1063505338 /nfs/dbraw/zinc/50/53/38/1063505338.db2.gz KBUDGMAPXCVHGU-SJLPKXTDSA-N 1 1 489.621 2.695 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242043 1063514911 /nfs/dbraw/zinc/51/49/11/1063514911.db2.gz WHVKMHJLFRFJQO-HKUYNNGSSA-N 1 1 475.638 2.549 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C[NH+](CC)CC)C[C@H]1C ZINC001295502445 1063536548 /nfs/dbraw/zinc/53/65/48/1063536548.db2.gz GDZATTGRFRWDMJ-KNQAVFIVSA-N 1 1 453.635 2.650 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C[NH+](CC)CC)C[C@@H]1C ZINC001295502447 1063537060 /nfs/dbraw/zinc/53/70/60/1063537060.db2.gz GDZATTGRFRWDMJ-UGKGYDQZSA-N 1 1 453.635 2.650 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258752 1063551541 /nfs/dbraw/zinc/55/15/41/1063551541.db2.gz HEBURDGTOCLBAF-FQEVSTJZSA-N 1 1 462.683 2.667 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258752 1063551555 /nfs/dbraw/zinc/55/15/55/1063551555.db2.gz HEBURDGTOCLBAF-FQEVSTJZSA-N 1 1 462.683 2.667 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258752 1063551569 /nfs/dbraw/zinc/55/15/69/1063551569.db2.gz HEBURDGTOCLBAF-FQEVSTJZSA-N 1 1 462.683 2.667 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC2(CCOCC2)O1 ZINC001291259450 1063552767 /nfs/dbraw/zinc/55/27/67/1063552767.db2.gz SJXPUQBNBSTUNM-LEWJYISDSA-N 1 1 463.667 2.878 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291261380 1063556896 /nfs/dbraw/zinc/55/68/96/1063556896.db2.gz AKGAYVWEQSWQLU-NFBKMPQASA-N 1 1 458.626 2.895 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291264563 1063563933 /nfs/dbraw/zinc/56/39/33/1063563933.db2.gz FHDUHRHVGUWJPK-WMZOPIPTSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291264563 1063563950 /nfs/dbraw/zinc/56/39/50/1063563950.db2.gz FHDUHRHVGUWJPK-WMZOPIPTSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291265356 1063566320 /nfs/dbraw/zinc/56/63/20/1063566320.db2.gz SFYINNFEYIIZTG-FQEVSTJZSA-N 1 1 474.675 2.789 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291274865 1063581347 /nfs/dbraw/zinc/58/13/47/1063581347.db2.gz JDJNMUYBSKRWSJ-HXUWFJFHSA-N 1 1 454.619 2.689 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291282374 1063612506 /nfs/dbraw/zinc/61/25/06/1063612506.db2.gz OMNQBCJYHZYDNN-FPGHNAPASA-N 1 1 461.582 2.560 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001295578288 1063617017 /nfs/dbraw/zinc/61/70/17/1063617017.db2.gz HBJCBRRTUSVPOE-FQEVSTJZSA-N 1 1 481.645 2.629 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001295583500 1063627210 /nfs/dbraw/zinc/62/72/10/1063627210.db2.gz HVJSPOIWSWTRON-DENIHFKCSA-N 1 1 481.645 2.689 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286406 1063631567 /nfs/dbraw/zinc/63/15/67/1063631567.db2.gz IRTXDMFLVTXUED-MOPGFXCFSA-N 1 1 482.654 2.900 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286406 1063631581 /nfs/dbraw/zinc/63/15/81/1063631581.db2.gz IRTXDMFLVTXUED-MOPGFXCFSA-N 1 1 482.654 2.900 20 0 JFADMO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)no1 ZINC001291287632 1063641208 /nfs/dbraw/zinc/64/12/08/1063641208.db2.gz FVVKEPVOHVKJHV-OTWHNJEPSA-N 1 1 461.611 2.985 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCO1 ZINC001291287713 1063642407 /nfs/dbraw/zinc/64/24/07/1063642407.db2.gz GOUIJUYPANJXHD-WOJBJXKFSA-N 1 1 485.633 2.678 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288059 1063645921 /nfs/dbraw/zinc/64/59/21/1063645921.db2.gz MRVALXSLHOPZQB-AABGKKOBSA-N 1 1 488.608 2.760 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc[nH+]c1C ZINC001295604252 1063649210 /nfs/dbraw/zinc/64/92/10/1063649210.db2.gz UPLUZJOUECJLMW-FQEVSTJZSA-N 1 1 472.615 2.811 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288722 1063651413 /nfs/dbraw/zinc/65/14/13/1063651413.db2.gz XTZIBOUMBURIJV-HKUYNNGSSA-N 1 1 480.535 2.561 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288725 1063651502 /nfs/dbraw/zinc/65/15/02/1063651502.db2.gz XTZIBOUMBURIJV-PKOBYXMFSA-N 1 1 480.535 2.561 20 0 JFADMO C[C@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291289013 1063654014 /nfs/dbraw/zinc/65/40/14/1063654014.db2.gz CFOAQIVOROKYEK-KURKYZTESA-N 1 1 458.636 2.874 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001291289350 1063655708 /nfs/dbraw/zinc/65/57/08/1063655708.db2.gz IJYOBQFKXUFYQN-KRWDZBQOSA-N 1 1 470.039 2.580 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC001291289400 1063655718 /nfs/dbraw/zinc/65/57/18/1063655718.db2.gz JAOJLLBKRFGLQF-MSOLQXFVSA-N 1 1 476.025 2.586 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001291289443 1063656300 /nfs/dbraw/zinc/65/63/00/1063656300.db2.gz JTNKZMKPTCHIFU-CALCHBBNSA-N 1 1 491.434 2.533 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291289541 1063657367 /nfs/dbraw/zinc/65/73/67/1063657367.db2.gz MBUHOKLVPIHYFU-KDURUIRLSA-N 1 1 454.619 2.678 20 0 JFADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1CC ZINC001295608678 1063658734 /nfs/dbraw/zinc/65/87/34/1063658734.db2.gz XYQOQLIALWIUBP-IEBWSBKVSA-N 1 1 492.646 2.518 20 0 JFADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291109 1063666556 /nfs/dbraw/zinc/66/65/56/1063666556.db2.gz KFMUSMGHLILRCA-GJPOJAMWSA-N 1 1 484.645 2.892 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291291315 1063669189 /nfs/dbraw/zinc/66/91/89/1063669189.db2.gz NAYGUTPBMAICNW-YVSFHVDLSA-N 1 1 458.529 2.507 20 0 JFADMO C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001291291337 1063670247 /nfs/dbraw/zinc/67/02/47/1063670247.db2.gz NHHJTODESFTRDF-SZPZYZBQSA-N 1 1 476.710 2.915 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291291841 1063671910 /nfs/dbraw/zinc/67/19/10/1063671910.db2.gz VLKFFRMBRPTJBJ-KSZLIROESA-N 1 1 482.580 2.512 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291291840 1063671976 /nfs/dbraw/zinc/67/19/76/1063671976.db2.gz VLKFFRMBRPTJBJ-FGTMMUONSA-N 1 1 482.580 2.512 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291292768 1063678422 /nfs/dbraw/zinc/67/84/22/1063678422.db2.gz JHDLMIULCRJQJC-QRVBRYPASA-N 1 1 491.036 2.677 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001291292979 1063680173 /nfs/dbraw/zinc/68/01/73/1063680173.db2.gz MOWZLNSDLNDNSI-HDICACEKSA-N 1 1 472.615 2.998 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291292952 1063680241 /nfs/dbraw/zinc/68/02/41/1063680241.db2.gz MGOBGFUASHGXIT-OAQYLSRUSA-N 1 1 499.660 2.822 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCO1 ZINC001291293207 1063683843 /nfs/dbraw/zinc/68/38/43/1063683843.db2.gz QRMWTOZOGYPBKC-IEBWSBKVSA-N 1 1 468.524 2.532 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293924 1063686696 /nfs/dbraw/zinc/68/66/96/1063686696.db2.gz BUZMCCMWNCMSKZ-FUHWJXTLSA-N 1 1 483.585 2.693 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293926 1063686835 /nfs/dbraw/zinc/68/68/35/1063686835.db2.gz BUZMCCMWNCMSKZ-WMZOPIPTSA-N 1 1 483.585 2.693 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)CCCO1 ZINC001291294215 1063688592 /nfs/dbraw/zinc/68/85/92/1063688592.db2.gz GOUZUTWWCFZMRN-PCCBWWKXSA-N 1 1 492.665 2.776 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294511 1063689688 /nfs/dbraw/zinc/68/96/88/1063689688.db2.gz KUCQJHXZEQKJAV-NEPJUHHUSA-N 1 1 489.390 2.823 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001291295379 1063694865 /nfs/dbraw/zinc/69/48/65/1063694865.db2.gz YHVBLRKNQOSPBO-SQNIBIBYSA-N 1 1 484.605 2.512 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295521 1063696406 /nfs/dbraw/zinc/69/64/06/1063696406.db2.gz ACPJNHIPJZMYRN-FXAWDEMLSA-N 1 1 463.623 2.894 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295662239 1063704144 /nfs/dbraw/zinc/70/41/44/1063704144.db2.gz ADNDYYZRBBNMLG-UHFFFAOYSA-N 1 1 458.636 2.505 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291301422 1063709033 /nfs/dbraw/zinc/70/90/33/1063709033.db2.gz CESZZWWOKHFANB-SFHVURJKSA-N 1 1 461.632 2.696 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295668931 1063709121 /nfs/dbraw/zinc/70/91/21/1063709121.db2.gz QVLLHLKEDZAQBX-AREMUKBSSA-N 1 1 481.645 2.981 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291301492 1063709580 /nfs/dbraw/zinc/70/95/80/1063709580.db2.gz DMKXYJUOWQLHCP-YLJYHZDGSA-N 1 1 461.632 2.694 20 0 JFADMO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001295670890 1063711708 /nfs/dbraw/zinc/71/17/08/1063711708.db2.gz YESFKUGZZPYBIF-MSOLQXFVSA-N 1 1 473.647 2.880 20 0 JFADMO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001295670898 1063712210 /nfs/dbraw/zinc/71/22/10/1063712210.db2.gz YESFKUGZZPYBIF-ZWKOTPCHSA-N 1 1 473.647 2.880 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)F)CC1 ZINC001291306571 1063718344 /nfs/dbraw/zinc/71/83/44/1063718344.db2.gz BMMHVVQARRYADG-INIZCTEOSA-N 1 1 499.404 2.815 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)F)CC1 ZINC001291306571 1063718348 /nfs/dbraw/zinc/71/83/48/1063718348.db2.gz BMMHVVQARRYADG-INIZCTEOSA-N 1 1 499.404 2.815 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001291307228 1063722347 /nfs/dbraw/zinc/72/23/47/1063722347.db2.gz PCHWVEIAJGMPDJ-HOTGVXAUSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CCOC1 ZINC001291307228 1063722362 /nfs/dbraw/zinc/72/23/62/1063722362.db2.gz PCHWVEIAJGMPDJ-HOTGVXAUSA-N 1 1 450.381 2.653 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291307231 1063722595 /nfs/dbraw/zinc/72/25/95/1063722595.db2.gz PFRDTCXEGARGOL-CYBMUJFWSA-N 1 1 497.829 2.780 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291307231 1063722606 /nfs/dbraw/zinc/72/26/06/1063722606.db2.gz PFRDTCXEGARGOL-CYBMUJFWSA-N 1 1 497.829 2.780 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 ZINC001291307601 1063724922 /nfs/dbraw/zinc/72/49/22/1063724922.db2.gz XHFWVANRPXEJII-GDBMZVCRSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCSC1 ZINC001291307601 1063724940 /nfs/dbraw/zinc/72/49/40/1063724940.db2.gz XHFWVANRPXEJII-GDBMZVCRSA-N 1 1 469.453 2.709 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308098 1063727465 /nfs/dbraw/zinc/72/74/65/1063727465.db2.gz HOFAQXWWQSEIGF-RTBURBONSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308098 1063727480 /nfs/dbraw/zinc/72/74/80/1063727480.db2.gz HOFAQXWWQSEIGF-RTBURBONSA-N 1 1 471.606 2.554 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC001295741914 1063750422 /nfs/dbraw/zinc/75/04/22/1063750422.db2.gz GQBJVYMUPJQSOX-HXUWFJFHSA-N 1 1 451.567 2.768 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC001295741914 1063750433 /nfs/dbraw/zinc/75/04/33/1063750433.db2.gz GQBJVYMUPJQSOX-HXUWFJFHSA-N 1 1 451.567 2.768 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC001295742737 1063750883 /nfs/dbraw/zinc/75/08/83/1063750883.db2.gz QHDCKCQOGXUBGX-SFHVURJKSA-N 1 1 459.587 2.618 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC001295742737 1063750897 /nfs/dbraw/zinc/75/08/97/1063750897.db2.gz QHDCKCQOGXUBGX-SFHVURJKSA-N 1 1 459.587 2.618 20 0 JFADMO C[C@@H]1N(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291316877 1063752529 /nfs/dbraw/zinc/75/25/29/1063752529.db2.gz CDPDMBIWUDNYGW-PZJWPPBQSA-N 1 1 454.619 2.892 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291320839 1063760415 /nfs/dbraw/zinc/76/04/15/1063760415.db2.gz BIBWANWBPOOHNH-BTYIYWSLSA-N 1 1 481.439 2.886 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291323560 1063770061 /nfs/dbraw/zinc/77/00/61/1063770061.db2.gz MGCMRMRMPXBGPC-CPJSRVTESA-N 1 1 457.619 2.608 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295764666 1063771508 /nfs/dbraw/zinc/77/15/08/1063771508.db2.gz VNVXWDQCEKLKTF-PGRDOPGGSA-N 1 1 466.552 2.722 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(CC3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768996 1063778828 /nfs/dbraw/zinc/77/88/28/1063778828.db2.gz ZVZYRMLZZYSSKC-HXUWFJFHSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768996 1063778841 /nfs/dbraw/zinc/77/88/41/1063778841.db2.gz ZVZYRMLZZYSSKC-HXUWFJFHSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(CC3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768996 1063778856 /nfs/dbraw/zinc/77/88/56/1063778856.db2.gz ZVZYRMLZZYSSKC-HXUWFJFHSA-N 1 1 485.643 2.967 20 0 JFADMO CCN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)S(C)(=O)=O ZINC001295805510 1063794711 /nfs/dbraw/zinc/79/47/11/1063794711.db2.gz FJPBKROEGKLNAK-FQEVSTJZSA-N 1 1 481.066 2.945 20 0 JFADMO CCN(CCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC001295805512 1063795352 /nfs/dbraw/zinc/79/53/52/1063795352.db2.gz FJPBKROEGKLNAK-HXUWFJFHSA-N 1 1 481.066 2.945 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291336364 1063800043 /nfs/dbraw/zinc/80/00/43/1063800043.db2.gz HDHKFYOFROOGOL-YLJYHZDGSA-N 1 1 461.010 2.814 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001291339223 1063811353 /nfs/dbraw/zinc/81/13/53/1063811353.db2.gz KBCIYLZEYDSTHZ-GOSISDBHSA-N 1 1 461.010 2.816 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC001295814631 1063815788 /nfs/dbraw/zinc/81/57/88/1063815788.db2.gz OJEKOKHDBLQCNE-JOCHJYFZSA-N 1 1 474.675 2.523 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1)S(C)(=O)=O ZINC001295814633 1063815857 /nfs/dbraw/zinc/81/58/57/1063815857.db2.gz OJEKOKHDBLQCNE-QFIPXVFZSA-N 1 1 474.675 2.523 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291340428 1063817384 /nfs/dbraw/zinc/81/73/84/1063817384.db2.gz JEZSZKCVVDIWGT-OTWHNJEPSA-N 1 1 457.623 2.656 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001291341014 1063819514 /nfs/dbraw/zinc/81/95/14/1063819514.db2.gz VTBBVULSOCMGLD-WOJBJXKFSA-N 1 1 454.623 2.598 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2F)CC1)C(C)C ZINC001295815918 1063820672 /nfs/dbraw/zinc/82/06/72/1063820672.db2.gz PCDOLCSUCUUCFH-UHFFFAOYSA-N 1 1 457.598 2.710 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1)C(C)C ZINC001295819047 1063823418 /nfs/dbraw/zinc/82/34/18/1063823418.db2.gz GMIPVMYSUPPUHO-TZIWHRDSSA-N 1 1 462.664 2.921 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295819349 1063824052 /nfs/dbraw/zinc/82/40/52/1063824052.db2.gz KJPORMRRTKYLBV-OAHLLOKOSA-N 1 1 472.487 2.768 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@H](COC)C1)C1CC1 ZINC001295820563 1063825456 /nfs/dbraw/zinc/82/54/56/1063825456.db2.gz DCYURPJHQFOMGU-KNQAVFIVSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)C(C)C ZINC001295820769 1063826753 /nfs/dbraw/zinc/82/67/53/1063826753.db2.gz HINXBPHMCCXQGQ-UHFFFAOYSA-N 1 1 459.986 2.679 20 0 JFADMO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1)C1CC1 ZINC001295820770 1063826791 /nfs/dbraw/zinc/82/67/91/1063826791.db2.gz HLIKMGWVUONVKE-UHFFFAOYSA-N 1 1 453.635 2.531 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1)C1CC1 ZINC001295820770 1063826803 /nfs/dbraw/zinc/82/68/03/1063826803.db2.gz HLIKMGWVUONVKE-UHFFFAOYSA-N 1 1 453.635 2.531 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2OCO[C@H]2C1)CCC(F)(F)F ZINC001295821379 1063827227 /nfs/dbraw/zinc/82/72/27/1063827227.db2.gz OBFKEJJIRJUHLA-KDURUIRLSA-N 1 1 496.534 2.983 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001295821558 1063827911 /nfs/dbraw/zinc/82/79/11/1063827911.db2.gz QRZRKFLYVIEWLP-IBGZPJMESA-N 1 1 455.607 2.544 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)C(C)C ZINC001295822175 1063828380 /nfs/dbraw/zinc/82/83/80/1063828380.db2.gz XJAZSWRXLASBCO-LJQANCHMSA-N 1 1 484.649 2.787 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)OC)CC1)C1CC1 ZINC001295822291 1063828542 /nfs/dbraw/zinc/82/85/42/1063828542.db2.gz YICNLBMGWVYXQI-UHFFFAOYSA-N 1 1 469.590 2.520 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCc2c1cnn2C)CCC(F)(F)F ZINC001295822312 1063828656 /nfs/dbraw/zinc/82/86/56/1063828656.db2.gz ZCZOBXCHHSQOMO-QGZVFWFLSA-N 1 1 484.571 2.938 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C1CC1 ZINC001295822610 1063829054 /nfs/dbraw/zinc/82/90/54/1063829054.db2.gz CQTOOLAAUKHCPH-VQIMIIECSA-N 1 1 492.418 2.552 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C ZINC001295823059 1063829757 /nfs/dbraw/zinc/82/97/57/1063829757.db2.gz JJQLDHRLTZQTTG-FQEVSTJZSA-N 1 1 493.450 2.779 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001291343533 1063829878 /nfs/dbraw/zinc/82/98/78/1063829878.db2.gz NXLPCMBVOIQQLE-JOCHJYFZSA-N 1 1 497.692 2.677 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001291343534 1063829967 /nfs/dbraw/zinc/82/99/67/1063829967.db2.gz NXLPCMBVOIQQLE-QFIPXVFZSA-N 1 1 497.692 2.677 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](COC)C1)C(C)C ZINC001295823941 1063831106 /nfs/dbraw/zinc/83/11/06/1063831106.db2.gz XVVWINPBMDOLJF-KRWDZBQOSA-N 1 1 469.428 2.628 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C)CCC(F)(F)F ZINC001295824816 1063832637 /nfs/dbraw/zinc/83/26/37/1063832637.db2.gz IRSICOLEHFKDNK-MRXNPFEDSA-N 1 1 468.524 2.895 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C ZINC001295825358 1063834245 /nfs/dbraw/zinc/83/42/45/1063834245.db2.gz WDDGUNMTDVPAMG-KRWDZBQOSA-N 1 1 464.517 2.918 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](OC)C(C)(C)C1)C1CC1 ZINC001295826999 1063835380 /nfs/dbraw/zinc/83/53/80/1063835380.db2.gz ISQPMINJSMFBMR-HXUWFJFHSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@@H]1C ZINC001295827696 1063837992 /nfs/dbraw/zinc/83/79/92/1063837992.db2.gz DVUKSBVITBRUGW-ZWKOTPCHSA-N 1 1 457.596 2.922 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1)C(C)C ZINC001295827836 1063838070 /nfs/dbraw/zinc/83/80/70/1063838070.db2.gz RYJGRLVVFLZPKM-UHFFFAOYSA-N 1 1 454.575 2.717 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001291345242 1063838372 /nfs/dbraw/zinc/83/83/72/1063838372.db2.gz SCPXIGDIAOIFQP-SFTDATJTSA-N 1 1 454.619 2.857 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295828835 1063839100 /nfs/dbraw/zinc/83/91/00/1063839100.db2.gz DFNRWCFJAQRDID-KRWDZBQOSA-N 1 1 468.524 2.930 20 0 JFADMO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C ZINC001295828634 1063839345 /nfs/dbraw/zinc/83/93/45/1063839345.db2.gz AYYQAYZVLRFNCG-UHFFFAOYSA-N 1 1 462.595 2.872 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C)C1CC1 ZINC001295829143 1063839796 /nfs/dbraw/zinc/83/97/96/1063839796.db2.gz DWIMQHWJZKPJNC-KRWDZBQOSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1)C1CC1 ZINC001295829980 1063843275 /nfs/dbraw/zinc/84/32/75/1063843275.db2.gz NLASVDFYSBSZOF-GOSISDBHSA-N 1 1 467.401 2.687 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](COC)C1)C(C)C ZINC001295830081 1063843317 /nfs/dbraw/zinc/84/33/17/1063843317.db2.gz LMDAGNAUKWOIKG-IBGZPJMESA-N 1 1 453.595 2.514 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1)C1CC1 ZINC001295830363 1063844307 /nfs/dbraw/zinc/84/43/07/1063844307.db2.gz UIHZPJPPFGJJQX-UHFFFAOYSA-N 1 1 461.010 2.814 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)C1CC1 ZINC001295830498 1063844720 /nfs/dbraw/zinc/84/47/20/1063844720.db2.gz OHHHQTBHQMOVRA-KRWDZBQOSA-N 1 1 496.081 2.586 20 0 JFADMO CCN(CCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C ZINC001295830825 1063845255 /nfs/dbraw/zinc/84/52/55/1063845255.db2.gz RFANIIZTFXCFRP-UHFFFAOYSA-N 1 1 488.633 2.979 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001291346584 1063845375 /nfs/dbraw/zinc/84/53/75/1063845375.db2.gz VUQCYUOUYQPZSY-XZOQPEGZSA-N 1 1 498.672 2.937 20 0 JFADMO C[N@@H+](CCCO)C1CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(F)(F)F)CC1 ZINC001295833261 1063847569 /nfs/dbraw/zinc/84/75/69/1063847569.db2.gz KSUWCVILVOXODT-IBGZPJMESA-N 1 1 459.509 2.929 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCC(NS(C)(=O)=O)CC1)C1CC1 ZINC001295835518 1063851874 /nfs/dbraw/zinc/85/18/74/1063851874.db2.gz GBGXMIFHWYGLFK-UHFFFAOYSA-N 1 1 467.039 2.601 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccnn2)CC1)CCC(F)(F)F ZINC001295837685 1063855542 /nfs/dbraw/zinc/85/55/42/1063855542.db2.gz BNSGBMVHTRRUHX-UHFFFAOYSA-N 1 1 492.554 2.824 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295839068 1063857854 /nfs/dbraw/zinc/85/78/54/1063857854.db2.gz PEMLKKCFQPAOIX-INIZCTEOSA-N 1 1 465.528 2.680 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1)C(C)C ZINC001295839113 1063858017 /nfs/dbraw/zinc/85/80/17/1063858017.db2.gz QZINAXSIOZYTFC-UHFFFAOYSA-N 1 1 496.704 2.887 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)CCC(F)(F)F ZINC001295841548 1063861020 /nfs/dbraw/zinc/86/10/20/1063861020.db2.gz JFKXSYPYRIUHGK-UHFFFAOYSA-N 1 1 484.571 2.648 20 0 JFADMO CC[N@@H+](CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(=O)NC(C)C)CC1)C(C)C ZINC001295841708 1063861565 /nfs/dbraw/zinc/86/15/65/1063861565.db2.gz OGFZOSSOJAVEBT-UHFFFAOYSA-N 1 1 480.661 2.803 20 0 JFADMO CC[N@@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(F)(F)C1)C(C)C ZINC001295842624 1063862776 /nfs/dbraw/zinc/86/27/76/1063862776.db2.gz ZEFCNZDMBFGKLA-UHFFFAOYSA-N 1 1 455.579 2.814 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295846898 1063869323 /nfs/dbraw/zinc/86/93/23/1063869323.db2.gz ZNVLVXJITPKFGT-QYZOEREBSA-N 1 1 477.654 2.699 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001291360025 1063870258 /nfs/dbraw/zinc/87/02/58/1063870258.db2.gz OUULWCWBKDJYNL-NVVBAYIOSA-N 1 1 461.010 2.695 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001295848437 1063872118 /nfs/dbraw/zinc/87/21/18/1063872118.db2.gz LUYSGMXVIQJJGR-VQTJNVASSA-N 1 1 491.681 2.790 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001291361121 1063873081 /nfs/dbraw/zinc/87/30/81/1063873081.db2.gz HFYQDTZIKKMLIS-IIMJZQEZSA-N 1 1 451.413 2.880 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1)C(C)C ZINC001295850858 1063874021 /nfs/dbraw/zinc/87/40/21/1063874021.db2.gz YHYGDYVOQDFUSQ-VQTJNVASSA-N 1 1 491.681 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)CCC(F)(F)F ZINC001295853161 1063879519 /nfs/dbraw/zinc/87/95/19/1063879519.db2.gz OOSUONOMYMQLGK-DBXWQHBBSA-N 1 1 475.556 2.831 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295853422 1063880111 /nfs/dbraw/zinc/88/01/11/1063880111.db2.gz PXBPKBFKZVAQML-UXHICEINSA-N 1 1 499.582 2.857 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001295854986 1063883883 /nfs/dbraw/zinc/88/38/83/1063883883.db2.gz BJPPUNSTNXAIMA-HSALFYBXSA-N 1 1 480.654 2.930 20 0 JFADMO CCN(CCn1c(CC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295855040 1063884701 /nfs/dbraw/zinc/88/47/01/1063884701.db2.gz CLQLUFHMUIVTTN-SFHVURJKSA-N 1 1 450.628 2.645 20 0 JFADMO CCN(CCn1c(CC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295855040 1063884709 /nfs/dbraw/zinc/88/47/09/1063884709.db2.gz CLQLUFHMUIVTTN-SFHVURJKSA-N 1 1 450.628 2.645 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)CCC(F)(F)F ZINC001295858667 1063889118 /nfs/dbraw/zinc/88/91/18/1063889118.db2.gz BHIVOLBHKXYXIU-OAQYLSRUSA-N 1 1 481.523 2.569 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295860559 1063891905 /nfs/dbraw/zinc/89/19/05/1063891905.db2.gz DUXMCAVNSWYIMN-IBGZPJMESA-N 1 1 473.569 2.610 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295865253 1063896550 /nfs/dbraw/zinc/89/65/50/1063896550.db2.gz HKWTULBHDYSSBY-NRFANRHFSA-N 1 1 463.648 2.828 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291371877 1063897807 /nfs/dbraw/zinc/89/78/07/1063897807.db2.gz SLBBKRNKTGZAPJ-IKQBDLNTSA-N 1 1 459.639 2.934 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291373961 1063902695 /nfs/dbraw/zinc/90/26/95/1063902695.db2.gz ANLHXTVCYCZDDU-CZZAQMAHSA-N 1 1 486.636 2.548 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291373960 1063902762 /nfs/dbraw/zinc/90/27/62/1063902762.db2.gz ANLHXTVCYCZDDU-CNPGNWEMSA-N 1 1 486.636 2.548 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291373962 1063902855 /nfs/dbraw/zinc/90/28/55/1063902855.db2.gz ANLHXTVCYCZDDU-RTGAMMJTSA-N 1 1 486.636 2.548 20 0 JFADMO CC[N@@H+](CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868024 1063903756 /nfs/dbraw/zinc/90/37/56/1063903756.db2.gz CYKPYPBVMZFSHB-BWKNWUBXSA-N 1 1 479.666 2.823 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C ZINC001295868983 1063906333 /nfs/dbraw/zinc/90/63/33/1063906333.db2.gz FMWQRQCADGUTNZ-IPMKNSEASA-N 1 1 457.685 2.796 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1)C(C)C ZINC001295869307 1063906903 /nfs/dbraw/zinc/90/69/03/1063906903.db2.gz MEHCQSZFPQMVTA-SFHVURJKSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)C(C)C ZINC001295870267 1063907845 /nfs/dbraw/zinc/90/78/45/1063907845.db2.gz XDKQSKJIVQGHQW-OAQYLSRUSA-N 1 1 454.619 2.883 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CC1 ZINC001295870265 1063907905 /nfs/dbraw/zinc/90/79/05/1063907905.db2.gz XAFGHNJDGZLSFC-QGZVFWFLSA-N 1 1 458.529 2.509 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295870515 1063908355 /nfs/dbraw/zinc/90/83/55/1063908355.db2.gz ZWIMVYQFXYGFGN-RTBURBONSA-N 1 1 485.555 2.814 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295878628 1063920496 /nfs/dbraw/zinc/92/04/96/1063920496.db2.gz QBBGMGJUGHGFJP-IBGZPJMESA-N 1 1 450.653 2.523 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880951 1063925520 /nfs/dbraw/zinc/92/55/20/1063925520.db2.gz KAELOAIHOXPLPV-FQEVSTJZSA-N 1 1 462.664 2.887 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001295881582 1063927070 /nfs/dbraw/zinc/92/70/70/1063927070.db2.gz PVLVAKUYFFGIKL-QFIPXVFZSA-N 1 1 475.659 2.839 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001295881582 1063927077 /nfs/dbraw/zinc/92/70/77/1063927077.db2.gz PVLVAKUYFFGIKL-QFIPXVFZSA-N 1 1 475.659 2.839 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001295882005 1063929209 /nfs/dbraw/zinc/92/92/09/1063929209.db2.gz XGYJPZBRLYTQSH-UHFFFAOYSA-N 1 1 470.643 2.981 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001295882005 1063929218 /nfs/dbraw/zinc/92/92/18/1063929218.db2.gz XGYJPZBRLYTQSH-UHFFFAOYSA-N 1 1 470.643 2.981 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001295885465 1063932171 /nfs/dbraw/zinc/93/21/71/1063932171.db2.gz HSFSKLBZJMYQBX-FQEVSTJZSA-N 1 1 482.654 2.582 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001295885465 1063932181 /nfs/dbraw/zinc/93/21/81/1063932181.db2.gz HSFSKLBZJMYQBX-FQEVSTJZSA-N 1 1 482.654 2.582 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295887272 1063935420 /nfs/dbraw/zinc/93/54/20/1063935420.db2.gz USHIJBUQIIATPH-GHTZIAJQSA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295887272 1063935430 /nfs/dbraw/zinc/93/54/30/1063935430.db2.gz USHIJBUQIIATPH-GHTZIAJQSA-N 1 1 477.631 2.536 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291390857 1063941195 /nfs/dbraw/zinc/94/11/95/1063941195.db2.gz CXBJTWAVPSYMOP-AFMDSPMNSA-N 1 1 497.644 2.815 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291394507 1063948760 /nfs/dbraw/zinc/94/87/60/1063948760.db2.gz YXVIKLPMMKRWBI-DWXRJYCRSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291394507 1063948766 /nfs/dbraw/zinc/94/87/66/1063948766.db2.gz YXVIKLPMMKRWBI-DWXRJYCRSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291396819 1063952258 /nfs/dbraw/zinc/95/22/58/1063952258.db2.gz CPXPZUHLOHTYHF-BKSPAHHJSA-N 1 1 462.683 2.574 20 0 JFADMO CCn1cc([C@H]2CN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900585 1063953546 /nfs/dbraw/zinc/95/35/46/1063953546.db2.gz DUIHIJBBSRMXMS-FGZHOGPDSA-N 1 1 459.639 2.628 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291397897 1063955287 /nfs/dbraw/zinc/95/52/87/1063955287.db2.gz QVZOINYSEOATMI-SCIUHPPWSA-N 1 1 489.686 2.688 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291397897 1063955292 /nfs/dbraw/zinc/95/52/92/1063955292.db2.gz QVZOINYSEOATMI-SCIUHPPWSA-N 1 1 489.686 2.688 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccc(OC)cc3OC)n2CC(C)(C)[NH+]2CCOCC2)cn1 ZINC001295909983 1063963271 /nfs/dbraw/zinc/96/32/71/1063963271.db2.gz XIAFZFMJSLXXPE-UHFFFAOYSA-N 1 1 483.617 2.926 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291413900 1063990372 /nfs/dbraw/zinc/99/03/72/1063990372.db2.gz QYBFNVLZSYHKJL-UGKGYDQZSA-N 1 1 452.607 2.847 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291418612 1063997889 /nfs/dbraw/zinc/99/78/89/1063997889.db2.gz ZXEZVJPVGYNZEO-ZZTDLJEGSA-N 1 1 460.667 2.986 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC=CO2)C[C@H]1C ZINC001295975438 1064018749 /nfs/dbraw/zinc/01/87/49/1064018749.db2.gz DECLCTJGRNCCOW-DYXWJJEUSA-N 1 1 488.658 2.807 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@H]1C ZINC001295975398 1064018763 /nfs/dbraw/zinc/01/87/63/1064018763.db2.gz CULRYWZELKMLSI-MOPGFXCFSA-N 1 1 453.591 2.917 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@@H]1C ZINC001295976386 1064022022 /nfs/dbraw/zinc/02/20/22/1064022022.db2.gz CKBJWGZSMVVZAZ-BZSNNMDCSA-N 1 1 473.647 2.645 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@@H]1C ZINC001295976388 1064022111 /nfs/dbraw/zinc/02/21/11/1064022111.db2.gz CKBJWGZSMVVZAZ-OKZBNKHCSA-N 1 1 473.647 2.645 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1C ZINC001295977503 1064024001 /nfs/dbraw/zinc/02/40/01/1064024001.db2.gz LGUMVHGXRBPWIX-OALUTQOASA-N 1 1 454.619 2.709 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 ZINC001291458470 1064024879 /nfs/dbraw/zinc/02/48/79/1064024879.db2.gz HXAFJFWUZCHVDL-VVSUKSJXSA-N 1 1 472.682 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001295977869 1064024870 /nfs/dbraw/zinc/02/48/70/1064024870.db2.gz QHKGHFWRVGQICH-CABCVRRESA-N 1 1 466.428 2.823 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001295978031 1064025556 /nfs/dbraw/zinc/02/55/56/1064025556.db2.gz JMCMGLMSAQACCB-ZJOUEHCJSA-N 1 1 492.690 2.893 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC001295978803 1064027120 /nfs/dbraw/zinc/02/71/20/1064027120.db2.gz NOKONQYLABHLDF-RBUKOAKNSA-N 1 1 458.607 2.561 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001295979758 1064028043 /nfs/dbraw/zinc/02/80/43/1064028043.db2.gz XDTRMMBNCNXKQS-LLJLJFOGSA-N 1 1 461.607 2.669 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001295979668 1064028234 /nfs/dbraw/zinc/02/82/34/1064028234.db2.gz WZVZOMRUBXKSSI-UONOGXRCSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001295979668 1064028240 /nfs/dbraw/zinc/02/82/40/1064028240.db2.gz WZVZOMRUBXKSSI-UONOGXRCSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001295980060 1064028586 /nfs/dbraw/zinc/02/85/86/1064028586.db2.gz NWPXVNVOAOHETO-KBPBESRZSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001295980060 1064028593 /nfs/dbraw/zinc/02/85/93/1064028593.db2.gz NWPXVNVOAOHETO-KBPBESRZSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001295980060 1064028599 /nfs/dbraw/zinc/02/85/99/1064028599.db2.gz NWPXVNVOAOHETO-KBPBESRZSA-N 1 1 476.427 2.634 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNC(=O)c1ccc(C)cc1 ZINC001291469457 1064029671 /nfs/dbraw/zinc/02/96/71/1064029671.db2.gz ANUAFGDKFLWGIF-AWRGLXIESA-N 1 1 495.672 2.519 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCNC(=O)c1ccc(C)cc1 ZINC001291469458 1064029726 /nfs/dbraw/zinc/02/97/26/1064029726.db2.gz ANUAFGDKFLWGIF-HFMPRLQTSA-N 1 1 495.672 2.519 20 0 JFADMO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295980404 1064030560 /nfs/dbraw/zinc/03/05/60/1064030560.db2.gz YTDWOUFQPHQFOR-RTBURBONSA-N 1 1 478.663 2.544 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470382 1064031383 /nfs/dbraw/zinc/03/13/83/1064031383.db2.gz PGBPJOQPYUPHOM-VWPQPMDRSA-N 1 1 460.667 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470771 1064032002 /nfs/dbraw/zinc/03/20/02/1064032002.db2.gz VDTDPMWOSWCFPN-SFYKDHMMSA-N 1 1 499.635 2.948 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCOC(F)(F)F ZINC001291470925 1064032371 /nfs/dbraw/zinc/03/23/71/1064032371.db2.gz XEHYRHKSUQGGKA-LZLYRXPVSA-N 1 1 460.545 2.707 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291473292 1064033937 /nfs/dbraw/zinc/03/39/37/1064033937.db2.gz CBHBLVXIQWEFEW-XJUOHMSHSA-N 1 1 471.650 2.639 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001295982173 1064034232 /nfs/dbraw/zinc/03/42/32/1064034232.db2.gz WMHQQJPGWRUOBB-VQTJNVASSA-N 1 1 470.618 2.608 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1cccc(C(N)=O)c1 ZINC001291475175 1064034771 /nfs/dbraw/zinc/03/47/71/1064034771.db2.gz AVJMYEZQNHIIBX-RCZSKKKRSA-N 1 1 454.619 2.680 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Sc2ccccc2)C[C@H]1C ZINC001295982457 1064035218 /nfs/dbraw/zinc/03/52/18/1064035218.db2.gz SYHUPKTZWKTPAA-XWSJACJDSA-N 1 1 480.704 2.988 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001295983194 1064038444 /nfs/dbraw/zinc/03/84/44/1064038444.db2.gz YYBBHUFDDCQGOQ-MOPGFXCFSA-N 1 1 467.618 2.634 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001295983197 1064038557 /nfs/dbraw/zinc/03/85/57/1064038557.db2.gz YYBBHUFDDCQGOQ-RTBURBONSA-N 1 1 467.618 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@H]1C ZINC001295983540 1064039403 /nfs/dbraw/zinc/03/94/03/1064039403.db2.gz WYZDKVPOABQXJM-AABGKKOBSA-N 1 1 468.606 2.550 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@@H]1C ZINC001295983881 1064040366 /nfs/dbraw/zinc/04/03/66/1064040366.db2.gz XMZRDRGTOZXWFS-FHWLQOOXSA-N 1 1 490.674 2.548 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001295984093 1064040771 /nfs/dbraw/zinc/04/07/71/1064040771.db2.gz KXJUAFBWTIELQW-AABGKKOBSA-N 1 1 472.634 2.602 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291484628 1064041435 /nfs/dbraw/zinc/04/14/35/1064041435.db2.gz CEXHQALFWKNXIB-SFHVURJKSA-N 1 1 487.615 2.714 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001295987349 1064044029 /nfs/dbraw/zinc/04/40/29/1064044029.db2.gz ZYUVDZOQFFYXQK-LRIFPRNHSA-N 1 1 461.632 2.792 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291487045 1064043926 /nfs/dbraw/zinc/04/39/26/1064043926.db2.gz PTUAGKAENDKSQK-MOPGFXCFSA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291487045 1064043936 /nfs/dbraw/zinc/04/39/36/1064043936.db2.gz PTUAGKAENDKSQK-MOPGFXCFSA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291489902 1064044884 /nfs/dbraw/zinc/04/48/84/1064044884.db2.gz LOXUGDKKRIASJF-WZONZLPQSA-N 1 1 450.628 2.960 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001291490432 1064044911 /nfs/dbraw/zinc/04/49/11/1064044911.db2.gz TXJQMSDPIHBZLK-NNMXDRDESA-N 1 1 488.599 2.746 20 0 JFADMO C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001295989707 1064044953 /nfs/dbraw/zinc/04/49/53/1064044953.db2.gz BDFFZVQSVOVVBV-SFHVURJKSA-N 1 1 454.546 2.919 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001295993823 1064049792 /nfs/dbraw/zinc/04/97/92/1064049792.db2.gz UIKOCKDYZUCZQS-HOTGVXAUSA-N 1 1 459.396 2.918 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001295994441 1064050079 /nfs/dbraw/zinc/05/00/79/1064050079.db2.gz GOVPGYPKQJILGR-OALUTQOASA-N 1 1 462.664 2.764 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@@H]1C ZINC001295994231 1064050285 /nfs/dbraw/zinc/05/02/85/1064050285.db2.gz VBZIJTBJWBFACV-OALUTQOASA-N 1 1 466.586 2.687 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291501735 1064052051 /nfs/dbraw/zinc/05/20/51/1064052051.db2.gz VCLLCWHIEZSONY-RBBKRZOGSA-N 1 1 470.666 2.847 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291501734 1064052078 /nfs/dbraw/zinc/05/20/78/1064052078.db2.gz VCLLCWHIEZSONY-IRLDBZIGSA-N 1 1 470.666 2.847 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291502748 1064053453 /nfs/dbraw/zinc/05/34/53/1064053453.db2.gz MFNVJFPSGSPVSX-XWSHUIEDSA-N 1 1 496.722 2.541 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@@H]1C ZINC001295997508 1064053653 /nfs/dbraw/zinc/05/36/53/1064053653.db2.gz RGECSJGLUIRZSO-UFYCRDLUSA-N 1 1 480.654 2.932 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291503173 1064054068 /nfs/dbraw/zinc/05/40/68/1064054068.db2.gz UEGPIKIBHUBBHZ-INIZCTEOSA-N 1 1 474.572 2.797 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291503173 1064054080 /nfs/dbraw/zinc/05/40/80/1064054080.db2.gz UEGPIKIBHUBBHZ-INIZCTEOSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001295997744 1064054106 /nfs/dbraw/zinc/05/41/06/1064054106.db2.gz RWGCZHBWZTZPIL-LPWQTFTOSA-N 1 1 475.588 2.729 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001295997822 1064054352 /nfs/dbraw/zinc/05/43/52/1064054352.db2.gz SJBGHBZIFWDMKT-FYQPLNBISA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001295998191 1064055228 /nfs/dbraw/zinc/05/52/28/1064055228.db2.gz TWNRPPWKZDINJT-VQTJNVASSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001295998191 1064055235 /nfs/dbraw/zinc/05/52/35/1064055235.db2.gz TWNRPPWKZDINJT-VQTJNVASSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001295998657 1064055680 /nfs/dbraw/zinc/05/56/80/1064055680.db2.gz XRUFSYRSGKBETI-SLFFLAALSA-N 1 1 491.658 2.574 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001295998654 1064055752 /nfs/dbraw/zinc/05/57/52/1064055752.db2.gz XRUFSYRSGKBETI-AABGKKOBSA-N 1 1 491.658 2.574 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295999507 1064056491 /nfs/dbraw/zinc/05/64/91/1064056491.db2.gz BGLMNKSCNVETIZ-MSOLQXFVSA-N 1 1 451.550 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001295999715 1064056602 /nfs/dbraw/zinc/05/66/02/1064056602.db2.gz XEVVWAFJUDHSFP-MQIPJXDCSA-N 1 1 454.472 2.753 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001296000357 1064057003 /nfs/dbraw/zinc/05/70/03/1064057003.db2.gz CJKQGEBRDYVRMH-RBUKOAKNSA-N 1 1 480.654 2.599 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001296000808 1064057121 /nfs/dbraw/zinc/05/71/21/1064057121.db2.gz FAHNZOCKDNNYPI-UXHICEINSA-N 1 1 477.613 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001296001470 1064057393 /nfs/dbraw/zinc/05/73/93/1064057393.db2.gz IAFUIZRYGXCVGQ-YADHBBJMSA-N 1 1 467.662 2.744 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001291507707 1064058264 /nfs/dbraw/zinc/05/82/64/1064058264.db2.gz YVVPQTIMWWPZLN-MSOLQXFVSA-N 1 1 452.669 2.526 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@@H]1C ZINC001296004258 1064059822 /nfs/dbraw/zinc/05/98/22/1064059822.db2.gz YDBZHHZIZFHPHK-SFTDATJTSA-N 1 1 461.614 2.921 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008785 1064061800 /nfs/dbraw/zinc/06/18/00/1064061800.db2.gz BJQUSAMNUZENOB-HKBOAZHASA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001296008785 1064061806 /nfs/dbraw/zinc/06/18/06/1064061806.db2.gz BJQUSAMNUZENOB-HKBOAZHASA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC001296008386 1064062634 /nfs/dbraw/zinc/06/26/34/1064062634.db2.gz HJYKTHIEDGKPIM-RBUKOAKNSA-N 1 1 474.675 2.886 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@H]1C ZINC001296008834 1064062914 /nfs/dbraw/zinc/06/29/14/1064062914.db2.gz BSYOJRUAPQOBTI-QZTJIDSGSA-N 1 1 495.653 2.530 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@H]1C ZINC001296008832 1064063070 /nfs/dbraw/zinc/06/30/70/1064063070.db2.gz BSYOJRUAPQOBTI-MSOLQXFVSA-N 1 1 495.653 2.530 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008961 1064063438 /nfs/dbraw/zinc/06/34/38/1064063438.db2.gz COPDJVWIPMDYLX-MSOLQXFVSA-N 1 1 464.561 2.774 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008904 1064063458 /nfs/dbraw/zinc/06/34/58/1064063458.db2.gz BWXFXPIODSSPDG-LSDHHAIUSA-N 1 1 470.952 2.811 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296009314 1064064014 /nfs/dbraw/zinc/06/40/14/1064064014.db2.gz JRJJUDHCHHTXOL-UWVAXJGDSA-N 1 1 459.664 2.811 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001296009411 1064064383 /nfs/dbraw/zinc/06/43/83/1064064383.db2.gz GADOHKFVPISREY-UPUUWEMXSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009627 1064065969 /nfs/dbraw/zinc/06/59/69/1064065969.db2.gz HTZORYGPYDWSKW-SFTDATJTSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296009732 1064066269 /nfs/dbraw/zinc/06/62/69/1064066269.db2.gz MNOKMCCRABWGHM-MOPGFXCFSA-N 1 1 488.683 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001296009663 1064066386 /nfs/dbraw/zinc/06/63/86/1064066386.db2.gz ICJXELNFSJVYDW-RTBURBONSA-N 1 1 467.622 2.780 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009911 1064066958 /nfs/dbraw/zinc/06/69/58/1064066958.db2.gz JEKZYPCQEDWJEN-LEWJYISDSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@H]1C ZINC001296010275 1064068085 /nfs/dbraw/zinc/06/80/85/1064068085.db2.gz AZXKJZCIWAKMOT-WCIQWLHISA-N 1 1 487.653 2.650 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011349 1064070706 /nfs/dbraw/zinc/07/07/06/1064070706.db2.gz VEGDNXZMDUDKFP-BJKOFHAPSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011349 1064070715 /nfs/dbraw/zinc/07/07/15/1064070715.db2.gz VEGDNXZMDUDKFP-BJKOFHAPSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@H]1C ZINC001296011432 1064071182 /nfs/dbraw/zinc/07/11/82/1064071182.db2.gz OYDDXNGXFQBKCK-MSOLQXFVSA-N 1 1 453.616 2.826 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296014583 1064076336 /nfs/dbraw/zinc/07/63/36/1064076336.db2.gz YOBMUJTUVUBBCB-RBUKOAKNSA-N 1 1 471.581 2.806 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001296015216 1064076815 /nfs/dbraw/zinc/07/68/15/1064076815.db2.gz ZVBQFGKTCVSMJK-VXKWHMMOSA-N 1 1 478.645 2.765 20 0 JFADMO CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001296015308 1064077633 /nfs/dbraw/zinc/07/76/33/1064077633.db2.gz RUMUVZAVVYUVCX-DOIPELPJSA-N 1 1 498.738 2.787 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@H]1C ZINC001296016812 1064078040 /nfs/dbraw/zinc/07/80/40/1064078040.db2.gz VPTYATMEIUUTOH-LFDJNIOPSA-N 1 1 468.618 2.952 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2CCCO)Oc2ccccc21 ZINC001296016916 1064078315 /nfs/dbraw/zinc/07/83/15/1064078315.db2.gz VWJZHKLLRVUOCO-RTWAWAEBSA-N 1 1 456.635 2.972 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001296017487 1064079603 /nfs/dbraw/zinc/07/96/03/1064079603.db2.gz GJRKPHRXTLDTBT-WOJBJXKFSA-N 1 1 469.634 2.683 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001296017483 1064079652 /nfs/dbraw/zinc/07/96/52/1064079652.db2.gz GJRKPHRXTLDTBT-UXHICEINSA-N 1 1 469.634 2.683 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291538982 1064080288 /nfs/dbraw/zinc/08/02/88/1064080288.db2.gz XYUFJMYEXAYASL-UFYCRDLUSA-N 1 1 454.685 2.678 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001291539150 1064080880 /nfs/dbraw/zinc/08/08/80/1064080880.db2.gz ADVZSWIRAPHNAX-ICSRJNTNSA-N 1 1 463.652 2.781 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)Oc2ccccc21 ZINC001296019419 1064081360 /nfs/dbraw/zinc/08/13/60/1064081360.db2.gz XSKWJHOOWQCSQL-UQBPGWFLSA-N 1 1 456.635 2.657 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3Cl)CC2)C1 ZINC001296032937 1064090649 /nfs/dbraw/zinc/09/06/49/1064090649.db2.gz GORNBYXSDHRFIE-GOSISDBHSA-N 1 1 460.026 2.738 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001296033722 1064092357 /nfs/dbraw/zinc/09/23/57/1064092357.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 1 1 474.053 2.734 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001296033722 1064092363 /nfs/dbraw/zinc/09/23/63/1064092363.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 1 1 474.053 2.734 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034585 1064093138 /nfs/dbraw/zinc/09/31/38/1064093138.db2.gz VWUPJKSPNFLFAH-DOTOQJQBSA-N 1 1 488.580 2.885 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001291566921 1064094483 /nfs/dbraw/zinc/09/44/83/1064094483.db2.gz FTSWVMYKFHCUKC-MOPGFXCFSA-N 1 1 452.669 2.528 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001296036212 1064095714 /nfs/dbraw/zinc/09/57/14/1064095714.db2.gz HKLULFMDWGZWPN-QGZVFWFLSA-N 1 1 461.408 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001296036197 1064095745 /nfs/dbraw/zinc/09/57/45/1064095745.db2.gz HGVRKRWXOGPYJY-CVEARBPZSA-N 1 1 491.434 2.725 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001296036392 1064096224 /nfs/dbraw/zinc/09/62/24/1064096224.db2.gz JFVJJLNRAQZEOW-LJQANCHMSA-N 1 1 470.618 2.657 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001291570444 1064097320 /nfs/dbraw/zinc/09/73/20/1064097320.db2.gz VRUXWJAFAUXNBF-QFIPXVFZSA-N 1 1 495.672 2.665 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001291570444 1064097328 /nfs/dbraw/zinc/09/73/28/1064097328.db2.gz VRUXWJAFAUXNBF-QFIPXVFZSA-N 1 1 495.672 2.665 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001296037908 1064097903 /nfs/dbraw/zinc/09/79/03/1064097903.db2.gz MRLWKTABHTVELH-FQEVSTJZSA-N 1 1 454.619 2.990 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296039744 1064099809 /nfs/dbraw/zinc/09/98/09/1064099809.db2.gz SUEVIDSRUWPKNZ-UYAOXDASSA-N 1 1 491.658 2.706 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CCC2CC2)C1 ZINC001296040489 1064100266 /nfs/dbraw/zinc/10/02/66/1064100266.db2.gz VQWPRRZSTALHMF-LJQANCHMSA-N 1 1 460.648 2.774 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291577443 1064101289 /nfs/dbraw/zinc/10/12/89/1064101289.db2.gz HDCOFEINGXRESI-BDTNDASRSA-N 1 1 489.709 2.723 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCNC(=O)C2)C1 ZINC001296041153 1064101364 /nfs/dbraw/zinc/10/13/64/1064101364.db2.gz YRPLJSVTQVHMGS-CYBMUJFWSA-N 1 1 467.799 2.639 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043459 1064102669 /nfs/dbraw/zinc/10/26/69/1064102669.db2.gz VJYFLVIFADTEAB-AEFFLSMTSA-N 1 1 461.408 2.970 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043870 1064103242 /nfs/dbraw/zinc/10/32/42/1064103242.db2.gz AXYZRVYUQMMBDV-SLFFLAALSA-N 1 1 462.639 2.960 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001296043927 1064103269 /nfs/dbraw/zinc/10/32/69/1064103269.db2.gz BBIHAXWXJQXCHM-ANULTFPQSA-N 1 1 476.666 2.942 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578570 1064103674 /nfs/dbraw/zinc/10/36/74/1064103674.db2.gz FFWHRDAYPLFQEY-IEBWSBKVSA-N 1 1 457.648 2.700 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001296043929 1064103791 /nfs/dbraw/zinc/10/37/91/1064103791.db2.gz BBIHAXWXJQXCHM-MHTWAQMVSA-N 1 1 476.666 2.942 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001291578581 1064104150 /nfs/dbraw/zinc/10/41/50/1064104150.db2.gz FHJROYUTDQCGJS-SCTDSRPQSA-N 1 1 475.663 2.747 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@H](C(=O)OC)C2)C1 ZINC001296044707 1064104161 /nfs/dbraw/zinc/10/41/61/1064104161.db2.gz FRLBMEDNHNRROJ-UFYCRDLUSA-N 1 1 490.649 2.734 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(COC)CC2)C1 ZINC001296044727 1064104556 /nfs/dbraw/zinc/10/45/56/1064104556.db2.gz FUNVBHUGESRMBX-RTWAWAEBSA-N 1 1 492.665 2.791 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCSC[C@@H]2C)C1 ZINC001296044788 1064105191 /nfs/dbraw/zinc/10/51/91/1064105191.db2.gz GIZHJQIKPVSOCE-GBESFXJTSA-N 1 1 480.679 2.870 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCOC)C1 ZINC001296047031 1064107026 /nfs/dbraw/zinc/10/70/26/1064107026.db2.gz REFFRUNXCVEZDB-SFHVURJKSA-N 1 1 450.628 2.817 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296048311 1064107453 /nfs/dbraw/zinc/10/74/53/1064107453.db2.gz CBULFJRNNGPDLE-RTBURBONSA-N 1 1 472.659 2.951 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3ccc4ccccc43)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296048236 1064107513 /nfs/dbraw/zinc/10/75/13/1064107513.db2.gz AJAXRGVFQCGUDN-FQEVSTJZSA-N 1 1 451.619 2.831 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001296048553 1064107870 /nfs/dbraw/zinc/10/78/70/1064107870.db2.gz XFCQHDDDWQJCAL-RZUBCFFCSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001296048551 1064107953 /nfs/dbraw/zinc/10/79/53/1064107953.db2.gz XFCQHDDDWQJCAL-ONTIZHBOSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)C1 ZINC001296048719 1064108845 /nfs/dbraw/zinc/10/88/45/1064108845.db2.gz DEXSDYMXDVFJAS-RTWAWAEBSA-N 1 1 455.603 2.803 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291580759 1064109376 /nfs/dbraw/zinc/10/93/76/1064109376.db2.gz BGLHKNREQOQTNP-LRSLUSHPSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296050289 1064109514 /nfs/dbraw/zinc/10/95/14/1064109514.db2.gz PQOSRVRVLHUYBL-IFMALSPDSA-N 1 1 475.659 2.645 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1 ZINC001296049564 1064109554 /nfs/dbraw/zinc/10/95/54/1064109554.db2.gz JTNUHIDQCJWSEW-PZJWPPBQSA-N 1 1 453.635 2.737 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001296050462 1064110045 /nfs/dbraw/zinc/11/00/45/1064110045.db2.gz RLTSXFDIUKNUOF-NHCUHLMSSA-N 1 1 469.634 2.957 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296051372 1064111396 /nfs/dbraw/zinc/11/13/96/1064111396.db2.gz DPUBZLQPCYLOHL-SFHVURJKSA-N 1 1 479.622 2.742 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582170 1064113220 /nfs/dbraw/zinc/11/32/20/1064113220.db2.gz UJSORJMHNGSZCD-LPHOPBHVSA-N 1 1 459.664 2.850 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001296052325 1064113481 /nfs/dbraw/zinc/11/34/81/1064113481.db2.gz QIMIHLMJJBGIMH-VXKWHMMOSA-N 1 1 484.693 2.859 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296052905 1064114489 /nfs/dbraw/zinc/11/44/89/1064114489.db2.gz VQVPSPTUBASISD-SFHVURJKSA-N 1 1 486.571 2.835 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296054803 1064115775 /nfs/dbraw/zinc/11/57/75/1064115775.db2.gz CTVPLJWCRDUKBZ-NRFANRHFSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296055224 1064116658 /nfs/dbraw/zinc/11/66/58/1064116658.db2.gz FKMPYMNSBXTIEG-FHAGJXEFSA-N 1 1 492.665 2.764 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001296056312 1064117259 /nfs/dbraw/zinc/11/72/59/1064117259.db2.gz KJNYNQLPHLAOPK-FCHUYYIVSA-N 1 1 472.609 2.990 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296055937 1064117296 /nfs/dbraw/zinc/11/72/96/1064117296.db2.gz IMLWYEGIJWDQNY-HOIFWPIMSA-N 1 1 492.571 2.697 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001296056314 1064117627 /nfs/dbraw/zinc/11/76/27/1064117627.db2.gz KJNYNQLPHLAOPK-VXKWHMMOSA-N 1 1 472.609 2.990 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001296057400 1064119565 /nfs/dbraw/zinc/11/95/65/1064119565.db2.gz XNSUUPXBOIGHPP-FQEVSTJZSA-N 1 1 485.608 2.569 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001296057476 1064119866 /nfs/dbraw/zinc/11/98/66/1064119866.db2.gz YYMUGBASRGOAKS-ALGQRKQJSA-N 1 1 492.665 2.631 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001296057479 1064119895 /nfs/dbraw/zinc/11/98/95/1064119895.db2.gz YYMUGBASRGOAKS-VIYGXFRKSA-N 1 1 492.665 2.631 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001296057478 1064119912 /nfs/dbraw/zinc/11/99/12/1064119912.db2.gz YYMUGBASRGOAKS-TXVWBRJLSA-N 1 1 492.665 2.631 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNC(=O)C(C)C ZINC001296058472 1064120437 /nfs/dbraw/zinc/12/04/37/1064120437.db2.gz AWDFOGIFINHMJN-MRXNPFEDSA-N 1 1 466.428 2.728 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001296058953 1064121470 /nfs/dbraw/zinc/12/14/70/1064121470.db2.gz FWADYXJDRRVIHW-BEFAXECRSA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCC(C(N)=O)CC1 ZINC001296059304 1064121781 /nfs/dbraw/zinc/12/17/81/1064121781.db2.gz BZHGQFZCTZTNGH-CQSZACIVSA-N 1 1 467.437 2.955 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296059516 1064122530 /nfs/dbraw/zinc/12/25/30/1064122530.db2.gz HNUWVUVTJIEITE-ZWKOTPCHSA-N 1 1 462.545 2.993 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001296059514 1064122600 /nfs/dbraw/zinc/12/26/00/1064122600.db2.gz HNUWVUVTJIEITE-QZTJIDSGSA-N 1 1 462.545 2.993 20 0 JFADMO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296059898 1064123299 /nfs/dbraw/zinc/12/32/99/1064123299.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296059898 1064123304 /nfs/dbraw/zinc/12/33/04/1064123304.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296059900 1064123361 /nfs/dbraw/zinc/12/33/61/1064123361.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296059900 1064123367 /nfs/dbraw/zinc/12/33/67/1064123367.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001296060042 1064123977 /nfs/dbraw/zinc/12/39/77/1064123977.db2.gz KQKHNHHAYCDIIO-YESZJQIVSA-N 1 1 452.600 2.709 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 ZINC001296060073 1064124000 /nfs/dbraw/zinc/12/40/00/1064124000.db2.gz LJECAAHNFYGNAM-RBUKOAKNSA-N 1 1 453.653 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C/C(C)=C/c1ccccc1 ZINC001296060256 1064124227 /nfs/dbraw/zinc/12/42/27/1064124227.db2.gz LLWRHUQMWFCCAG-ADRMNIKQSA-N 1 1 460.648 2.912 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296060268 1064124278 /nfs/dbraw/zinc/12/42/78/1064124278.db2.gz LNAMUNHOAJKIML-HKUYNNGSSA-N 1 1 474.581 2.512 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296060280 1064124819 /nfs/dbraw/zinc/12/48/19/1064124819.db2.gz LNTJRDQZMVHPOY-XLIONFOSSA-N 1 1 481.066 2.848 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291590983 1064125495 /nfs/dbraw/zinc/12/54/95/1064125495.db2.gz WFHAINFOIXAMKS-YADHBBJMSA-N 1 1 475.682 2.734 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291591117 1064126013 /nfs/dbraw/zinc/12/60/13/1064126013.db2.gz XBBHWNOPFDHJJQ-OAQYLSRUSA-N 1 1 476.714 2.839 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001296060856 1064126230 /nfs/dbraw/zinc/12/62/30/1064126230.db2.gz SKABZBIXBHKCCC-PKOBYXMFSA-N 1 1 472.590 2.724 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296061086 1064126614 /nfs/dbraw/zinc/12/66/14/1064126614.db2.gz JBAHWGVZXLNDDD-OALUTQOASA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296061533 1064127207 /nfs/dbraw/zinc/12/72/07/1064127207.db2.gz LOEUZASPIFEFSU-SFHVURJKSA-N 1 1 456.501 2.573 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291592820 1064127369 /nfs/dbraw/zinc/12/73/69/1064127369.db2.gz NEPMDCLAVFRADA-RDPSFJRHSA-N 1 1 494.706 2.914 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001296061831 1064127617 /nfs/dbraw/zinc/12/76/17/1064127617.db2.gz YDNQUPBPULFJAM-OAQYLSRUSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC1CC1)C1CCCCC1 ZINC001296061830 1064127690 /nfs/dbraw/zinc/12/76/90/1064127690.db2.gz RDCVVHAQUGVTTJ-FXAWDEMLSA-N 1 1 452.669 2.922 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296063744 1064129980 /nfs/dbraw/zinc/12/99/80/1064129980.db2.gz YIDYBDXLOGTMTE-MJGOQNOKSA-N 1 1 471.631 2.613 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC001296063596 1064130010 /nfs/dbraw/zinc/13/00/10/1064130010.db2.gz XBIDEELBOVXMBT-OALUTQOASA-N 1 1 460.627 2.689 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296063832 1064130471 /nfs/dbraw/zinc/13/04/71/1064130471.db2.gz ZZBNCBALRSMAGP-GOSISDBHSA-N 1 1 481.066 2.943 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296066226 1064131131 /nfs/dbraw/zinc/13/11/31/1064131131.db2.gz BNCJCBJPNKNSLR-MOPGFXCFSA-N 1 1 475.638 2.549 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291598759 1064133872 /nfs/dbraw/zinc/13/38/72/1064133872.db2.gz CTCDAPQKAGIESS-ONTIZHBOSA-N 1 1 454.619 2.750 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001296068468 1064134398 /nfs/dbraw/zinc/13/43/98/1064134398.db2.gz PFZGWUWTTFSUME-UXHICEINSA-N 1 1 491.681 2.838 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291601435 1064136991 /nfs/dbraw/zinc/13/69/91/1064136991.db2.gz FJOYIRBENCRPRG-IRLDBZIGSA-N 1 1 456.635 2.974 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296073349 1064138533 /nfs/dbraw/zinc/13/85/33/1064138533.db2.gz IPJZREXYUDLTBW-NRFANRHFSA-N 1 1 459.660 2.951 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296073639 1064138969 /nfs/dbraw/zinc/13/89/69/1064138969.db2.gz GDARXRMUXGDIPS-SQJMNOBHSA-N 1 1 470.618 2.538 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296073655 1064139541 /nfs/dbraw/zinc/13/95/41/1064139541.db2.gz GGWXRQFRSCIKGD-WOZUAGRISA-N 1 1 492.665 2.980 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC001296073817 1064139562 /nfs/dbraw/zinc/13/95/62/1064139562.db2.gz LIGPTLCGOHSGHF-MTIGVIBOSA-N 1 1 472.659 2.820 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074570 1064140912 /nfs/dbraw/zinc/14/09/12/1064140912.db2.gz LNRRXRUBHZYQRT-QZTJIDSGSA-N 1 1 450.628 2.790 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 ZINC001296074566 1064140952 /nfs/dbraw/zinc/14/09/52/1064140952.db2.gz LNIDGIOCOUMUQI-UFYCRDLUSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O ZINC001296074919 1064141995 /nfs/dbraw/zinc/14/19/95/1064141995.db2.gz MTZQIKYCHQIBSU-GUDVDZBRSA-N 1 1 455.669 2.552 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 ZINC001296075874 1064143921 /nfs/dbraw/zinc/14/39/21/1064143921.db2.gz XWRHOBBLDCRBJH-HXUWFJFHSA-N 1 1 454.619 2.965 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001296076404 1064144399 /nfs/dbraw/zinc/14/43/99/1064144399.db2.gz WGBZEMSTZBLEQK-QGZVFWFLSA-N 1 1 491.040 2.782 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001296076403 1064144481 /nfs/dbraw/zinc/14/44/81/1064144481.db2.gz WGBZEMSTZBLEQK-KRWDZBQOSA-N 1 1 491.040 2.782 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001296076663 1064145458 /nfs/dbraw/zinc/14/54/58/1064145458.db2.gz YWAZVDSNZHLRRB-AVEIZBFRSA-N 1 1 461.529 2.642 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001296076665 1064145596 /nfs/dbraw/zinc/14/55/96/1064145596.db2.gz YWAZVDSNZHLRRB-JCECYMMASA-N 1 1 461.529 2.642 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291610789 1064148375 /nfs/dbraw/zinc/14/83/75/1064148375.db2.gz PRSWLYBBFOGAQQ-VQTJNVASSA-N 1 1 458.630 2.678 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001296081055 1064148318 /nfs/dbraw/zinc/14/83/18/1064148318.db2.gz PRBVOQWYGCADNA-QFUCXCTJSA-N 1 1 460.648 2.886 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296081329 1064148645 /nfs/dbraw/zinc/14/86/45/1064148645.db2.gz SJSHXXBTXXAJTE-GOSISDBHSA-N 1 1 461.408 2.860 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081250 1064148756 /nfs/dbraw/zinc/14/87/56/1064148756.db2.gz RWPUHZVSVCFWTA-JOCHJYFZSA-N 1 1 467.618 2.690 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296083606 1064151208 /nfs/dbraw/zinc/15/12/08/1064151208.db2.gz GPFKRTYMEMWZHL-KRWDZBQOSA-N 1 1 452.529 2.684 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291617020 1064154523 /nfs/dbraw/zinc/15/45/23/1064154523.db2.gz NVAQDHFEUYHSQR-MOPGFXCFSA-N 1 1 463.696 2.642 20 0 JFADMO CC[NH+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296086883 1064155079 /nfs/dbraw/zinc/15/50/79/1064155079.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[NH+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296086883 1064155083 /nfs/dbraw/zinc/15/50/83/1064155083.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296086883 1064155087 /nfs/dbraw/zinc/15/50/87/1064155087.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296086883 1064155092 /nfs/dbraw/zinc/15/50/92/1064155092.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296087738 1064156813 /nfs/dbraw/zinc/15/68/13/1064156813.db2.gz HIUIDRJSXGGVFY-OAQYLSRUSA-N 1 1 470.618 2.895 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296087737 1064156877 /nfs/dbraw/zinc/15/68/77/1064156877.db2.gz HIUIDRJSXGGVFY-NRFANRHFSA-N 1 1 470.618 2.895 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619637 1064158164 /nfs/dbraw/zinc/15/81/64/1064158164.db2.gz DJEXOYYNQAQGKN-RTBURBONSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619637 1064158170 /nfs/dbraw/zinc/15/81/70/1064158170.db2.gz DJEXOYYNQAQGKN-RTBURBONSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619636 1064158256 /nfs/dbraw/zinc/15/82/56/1064158256.db2.gz DJEXOYYNQAQGKN-RBUKOAKNSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC1(S(C)(=O)=O)CCCC1 ZINC001291619636 1064158260 /nfs/dbraw/zinc/15/82/60/1064158260.db2.gz DJEXOYYNQAQGKN-RBUKOAKNSA-N 1 1 467.680 2.839 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001296088395 1064158248 /nfs/dbraw/zinc/15/82/48/1064158248.db2.gz KXEAEKSTLMLZBH-FQEVSTJZSA-N 1 1 461.010 2.768 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001296088937 1064159436 /nfs/dbraw/zinc/15/94/36/1064159436.db2.gz WBUXXTDVXROZCN-FXAWDEMLSA-N 1 1 467.586 2.969 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088957 1064159489 /nfs/dbraw/zinc/15/94/89/1064159489.db2.gz WVUAHHYXIXTXHX-RBBKRZOGSA-N 1 1 474.675 2.627 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088973 1064160011 /nfs/dbraw/zinc/16/00/11/1064160011.db2.gz WYTPSYBZRICYPC-ROUUACIJSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088973 1064160015 /nfs/dbraw/zinc/16/00/15/1064160015.db2.gz WYTPSYBZRICYPC-ROUUACIJSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001296089320 1064160518 /nfs/dbraw/zinc/16/05/18/1064160518.db2.gz OBJUNIGOYIXTFE-XDHUDOTRSA-N 1 1 456.591 2.538 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 ZINC001296090378 1064161936 /nfs/dbraw/zinc/16/19/36/1064161936.db2.gz VPGPUEWJVZRDAO-MRXNPFEDSA-N 1 1 455.987 2.847 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001296093492 1064165595 /nfs/dbraw/zinc/16/55/95/1064165595.db2.gz NYXFZLDZFDDJBJ-AKIFATBCSA-N 1 1 483.661 2.506 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296093491 1064165646 /nfs/dbraw/zinc/16/56/46/1064165646.db2.gz NYXFZLDZFDDJBJ-ACIOBRDBSA-N 1 1 483.661 2.506 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296094166 1064166647 /nfs/dbraw/zinc/16/66/47/1064166647.db2.gz VPRSBHRESAHTAS-ACIOBRDBSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001296095033 1064167548 /nfs/dbraw/zinc/16/75/48/1064167548.db2.gz GMPUVHCRCFBKKU-AABGKKOBSA-N 1 1 489.665 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001296097390 1064170114 /nfs/dbraw/zinc/17/01/14/1064170114.db2.gz QCKGWUDDUJPRGU-LJQANCHMSA-N 1 1 454.685 2.700 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296097397 1064170618 /nfs/dbraw/zinc/17/06/18/1064170618.db2.gz QGWBDCHYIZNQTF-QIJUGHKUSA-N 1 1 459.591 2.590 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296098366 1064171274 /nfs/dbraw/zinc/17/12/74/1064171274.db2.gz XKHOTUBTGAMCOI-MHECFPHRSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291628814 1064171722 /nfs/dbraw/zinc/17/17/22/1064171722.db2.gz PKJUMMOLPPGCEU-BJESRGMDSA-N 1 1 473.710 2.902 20 0 JFADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cc[nH+]c2C)CC1=O ZINC001296100221 1064173862 /nfs/dbraw/zinc/17/38/62/1064173862.db2.gz GJDOCXVCHJYTOT-QGZVFWFLSA-N 1 1 455.538 2.821 20 0 JFADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296101311 1064175675 /nfs/dbraw/zinc/17/56/75/1064175675.db2.gz PYLKJODACKRLFL-VQTJNVASSA-N 1 1 488.608 2.584 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001291630265 1064175937 /nfs/dbraw/zinc/17/59/37/1064175937.db2.gz RYXCZEIZIAZPTM-SFTDATJTSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291630924 1064177242 /nfs/dbraw/zinc/17/72/42/1064177242.db2.gz WCERYVFXUCRWHY-IBGZPJMESA-N 1 1 486.690 2.914 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1CC1(O)CCOCC1 ZINC001291630947 1064177830 /nfs/dbraw/zinc/17/78/30/1064177830.db2.gz WGHOXQSQAMGAAF-IBGZPJMESA-N 1 1 473.618 2.673 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC001296103315 1064180351 /nfs/dbraw/zinc/18/03/51/1064180351.db2.gz MADJXJYBAHFZPV-UHFFFAOYSA-N 1 1 488.080 2.931 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291632507 1064181540 /nfs/dbraw/zinc/18/15/40/1064181540.db2.gz UJXDNFBYQMMNQI-XLIONFOSSA-N 1 1 476.613 2.684 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296106137 1064184552 /nfs/dbraw/zinc/18/45/52/1064184552.db2.gz PEWFVKJVXSJFNA-BGYRXZFFSA-N 1 1 470.618 2.512 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291637673 1064184612 /nfs/dbraw/zinc/18/46/12/1064184612.db2.gz JEKROFUGGRMGKW-SFHVURJKSA-N 1 1 498.744 2.554 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637118 1064184662 /nfs/dbraw/zinc/18/46/62/1064184662.db2.gz DFJWTOPNGIVJSP-WOJBJXKFSA-N 1 1 452.607 2.676 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCCCn2cc[nH+]c2C)CC1=O ZINC001296106227 1064184923 /nfs/dbraw/zinc/18/49/23/1064184923.db2.gz STGZKULZSWRGDN-UHFFFAOYSA-N 1 1 451.575 2.998 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001291638484 1064185713 /nfs/dbraw/zinc/18/57/13/1064185713.db2.gz IJKZDUZDUZSYLL-DENIHFKCSA-N 1 1 475.659 2.686 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639698 1064188067 /nfs/dbraw/zinc/18/80/67/1064188067.db2.gz OCCZRUCMYACDPO-RTBURBONSA-N 1 1 476.588 2.949 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291640229 1064189042 /nfs/dbraw/zinc/18/90/42/1064189042.db2.gz UIEHGMMYBCXCDG-KCZVDYSFSA-N 1 1 474.675 2.926 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001291640391 1064189498 /nfs/dbraw/zinc/18/94/98/1064189498.db2.gz RQAIQXONCQUIHG-MYDTUXCISA-N 1 1 462.683 2.574 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291643439 1064194636 /nfs/dbraw/zinc/19/46/36/1064194636.db2.gz PDVMRWKMZDGSGB-FHWLQOOXSA-N 1 1 476.588 2.602 20 0 JFADMO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001296114530 1064195446 /nfs/dbraw/zinc/19/54/46/1064195446.db2.gz YQSFJCHPHKPDIE-LADGPHEKSA-N 1 1 453.558 2.624 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCn1cc[nH+]c1C ZINC001291643793 1064196082 /nfs/dbraw/zinc/19/60/82/1064196082.db2.gz KZKKUFJQIAAKFI-KRWDZBQOSA-N 1 1 475.594 2.647 20 0 JFADMO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001296116485 1064196782 /nfs/dbraw/zinc/19/67/82/1064196782.db2.gz FIPQAGXDAWFOOZ-IBGZPJMESA-N 1 1 470.666 2.709 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)COC)CC2)CC1 ZINC001296118698 1064201377 /nfs/dbraw/zinc/20/13/77/1064201377.db2.gz HFPHUVICUJRPTD-HXUWFJFHSA-N 1 1 483.661 2.702 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(C)nn3C)CC2)CC1 ZINC001296119028 1064203013 /nfs/dbraw/zinc/20/30/13/1064203013.db2.gz NRZGNSFZOHKDPW-UHFFFAOYSA-N 1 1 484.693 2.728 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650038 1064203204 /nfs/dbraw/zinc/20/32/04/1064203204.db2.gz PBOIBFMIPPVKNF-ICSRJNTNSA-N 1 1 460.648 2.765 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)CC)CC2)CC1 ZINC001296119095 1064203453 /nfs/dbraw/zinc/20/34/53/1064203453.db2.gz OOSCAQOODYIZRO-NRFANRHFSA-N 1 1 460.667 2.989 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001296119658 1064205918 /nfs/dbraw/zinc/20/59/18/1064205918.db2.gz HINMYUPBFYSRAM-DEOSSOPVSA-N 1 1 498.672 2.889 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291654313 1064206355 /nfs/dbraw/zinc/20/63/55/1064206355.db2.gz GTEMDJVSSHFTMN-NQIIRXRSSA-N 1 1 454.619 2.580 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3CCC(C)(C)O)CC2)CC1 ZINC001296119807 1064206323 /nfs/dbraw/zinc/20/63/23/1064206323.db2.gz XDBBDKQLYDTYLX-UHFFFAOYSA-N 1 1 462.683 2.798 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291654314 1064206610 /nfs/dbraw/zinc/20/66/10/1064206610.db2.gz GTEMDJVSSHFTMN-RXVVDRJESA-N 1 1 454.619 2.580 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001296119940 1064207134 /nfs/dbraw/zinc/20/71/34/1064207134.db2.gz IMYIPZJCDZLBLO-HXUWFJFHSA-N 1 1 488.608 2.556 20 0 JFADMO CC(C)c1ccc(OC2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001291659850 1064208426 /nfs/dbraw/zinc/20/84/26/1064208426.db2.gz ISQSZYHTNUPQPQ-DEOSSOPVSA-N 1 1 457.615 2.893 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296120275 1064209457 /nfs/dbraw/zinc/20/94/57/1064209457.db2.gz NSYJMJIUKRIECY-HXUWFJFHSA-N 1 1 484.645 2.501 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291665845 1064210470 /nfs/dbraw/zinc/21/04/70/1064210470.db2.gz ADEHVQQZGKQQAL-ROUUACIJSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291665845 1064210475 /nfs/dbraw/zinc/21/04/75/1064210475.db2.gz ADEHVQQZGKQQAL-ROUUACIJSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291669988 1064212417 /nfs/dbraw/zinc/21/24/17/1064212417.db2.gz NDIKMFUQZPHRBO-SLFFLAALSA-N 1 1 474.654 2.902 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121813 1064213743 /nfs/dbraw/zinc/21/37/43/1064213743.db2.gz QZFONFYFXMJFDU-HNNXBMFYSA-N 1 1 450.429 2.671 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291672347 1064214114 /nfs/dbraw/zinc/21/41/14/1064214114.db2.gz QCEZFUGHMUQADB-SFTDATJTSA-N 1 1 493.697 2.549 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123816 1064216307 /nfs/dbraw/zinc/21/63/07/1064216307.db2.gz CIHMRKVLGVCDHI-QGZVFWFLSA-N 1 1 463.424 2.570 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125153 1064217983 /nfs/dbraw/zinc/21/79/83/1064217983.db2.gz LCQJTNDUBREEPV-FQEVSTJZSA-N 1 1 487.649 2.787 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125562 1064219286 /nfs/dbraw/zinc/21/92/86/1064219286.db2.gz MSTKVHZNGKERFY-UGKGYDQZSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125572 1064219682 /nfs/dbraw/zinc/21/96/82/1064219682.db2.gz MUSHGNSEPDCKJD-PKOBYXMFSA-N 1 1 462.042 2.881 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126456 1064220457 /nfs/dbraw/zinc/22/04/57/1064220457.db2.gz QHRWTYSHVMHQPH-RBUKOAKNSA-N 1 1 467.618 2.536 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296128472 1064222858 /nfs/dbraw/zinc/22/28/58/1064222858.db2.gz ZGULERYFNBSDIJ-OAQYLSRUSA-N 1 1 497.688 2.674 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130034 1064223676 /nfs/dbraw/zinc/22/36/76/1064223676.db2.gz AWWIRFKZMDDADT-OAQYLSRUSA-N 1 1 499.679 2.994 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130959 1064224555 /nfs/dbraw/zinc/22/45/55/1064224555.db2.gz GVRLFKXUILOUEK-FQEVSTJZSA-N 1 1 474.723 2.590 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131353 1064225379 /nfs/dbraw/zinc/22/53/79/1064225379.db2.gz JKDXLXBANAYMBN-ZWKOTPCHSA-N 1 1 467.456 2.687 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001296131538 1064225919 /nfs/dbraw/zinc/22/59/19/1064225919.db2.gz LMVIIOFPIJDLKQ-SFHVURJKSA-N 1 1 474.053 2.985 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131765 1064227032 /nfs/dbraw/zinc/22/70/32/1064227032.db2.gz MXRLCEHNIIYVJJ-FQEVSTJZSA-N 1 1 490.766 2.896 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131911 1064227527 /nfs/dbraw/zinc/22/75/27/1064227527.db2.gz NAZGQJGAFHXTEQ-AABGKKOBSA-N 1 1 488.599 2.746 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001296132006 1064228053 /nfs/dbraw/zinc/22/80/53/1064228053.db2.gz PVHHWNNGXVDBFT-TZIWHRDSSA-N 1 1 475.707 2.913 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132032 1064228431 /nfs/dbraw/zinc/22/84/31/1064228431.db2.gz QCNAZZJVARMFKQ-YLJYHZDGSA-N 1 1 484.542 2.802 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132219 1064228732 /nfs/dbraw/zinc/22/87/32/1064228732.db2.gz PSAWOOKZAUQXGK-MBSDFSHPSA-N 1 1 495.594 2.896 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296132185 1064228807 /nfs/dbraw/zinc/22/88/07/1064228807.db2.gz RRENDOGSKXCBAL-INIZCTEOSA-N 1 1 492.097 2.683 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132593 1064230737 /nfs/dbraw/zinc/23/07/37/1064230737.db2.gz BVDZRVQYTWUYHV-NRFANRHFSA-N 1 1 473.710 2.831 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132717 1064231549 /nfs/dbraw/zinc/23/15/49/1064231549.db2.gz VJQQNNYHRYXTOU-NRFANRHFSA-N 1 1 463.630 2.935 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132802 1064231611 /nfs/dbraw/zinc/23/16/11/1064231611.db2.gz CYZYWXKEYBFIJX-AWEZNQCLSA-N 1 1 462.400 2.539 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001291751477 1064234855 /nfs/dbraw/zinc/23/48/55/1064234855.db2.gz DZKATAASRUTAKL-GOSISDBHSA-N 1 1 499.660 2.853 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134384 1064235681 /nfs/dbraw/zinc/23/56/81/1064235681.db2.gz OJZRVCXDSRZDSC-UYAOXDASSA-N 1 1 499.626 2.542 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291754365 1064236658 /nfs/dbraw/zinc/23/66/58/1064236658.db2.gz SJEUPTAMZGRXNF-RTWAWAEBSA-N 1 1 487.693 2.719 20 0 JFADMO CC[C@H](C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291754469 1064236675 /nfs/dbraw/zinc/23/66/75/1064236675.db2.gz QYJWAKDRTOCMLC-XUVXKRRUSA-N 1 1 484.711 2.604 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134939 1064237593 /nfs/dbraw/zinc/23/75/93/1064237593.db2.gz TUHQUROUDRTMRG-RCZVLFRGSA-N 1 1 472.682 2.561 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291759728 1064240147 /nfs/dbraw/zinc/24/01/47/1064240147.db2.gz HTRLBKVGDNEUTP-LJQANCHMSA-N 1 1 482.633 2.753 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001291760915 1064242141 /nfs/dbraw/zinc/24/21/41/1064242141.db2.gz OQTOEJZBPIMLTH-MBSDFSHPSA-N 1 1 461.632 2.696 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760916 1064242198 /nfs/dbraw/zinc/24/21/98/1064242198.db2.gz OQTOEJZBPIMLTH-WZONZLPQSA-N 1 1 461.632 2.696 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001296136712 1064242267 /nfs/dbraw/zinc/24/22/67/1064242267.db2.gz KJWNYYIWYNVQKZ-SBUREZEXSA-N 1 1 461.010 2.606 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001291764709 1064245201 /nfs/dbraw/zinc/24/52/01/1064245201.db2.gz FUSSBEYWUMZFBY-LJQANCHMSA-N 1 1 480.617 2.809 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001291765408 1064246257 /nfs/dbraw/zinc/24/62/57/1064246257.db2.gz MCZHNFIBWJHSOZ-MRXNPFEDSA-N 1 1 473.988 2.980 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001291765649 1064246562 /nfs/dbraw/zinc/24/65/62/1064246562.db2.gz ORDUWBGICFNNQV-IFMALSPDSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NC(C)C)C[C@H]1C ZINC001296141225 1064246973 /nfs/dbraw/zinc/24/69/73/1064246973.db2.gz CBKSZUGXPZHKMX-CQSZACIVSA-N 1 1 467.387 2.902 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291766202 1064247788 /nfs/dbraw/zinc/24/77/88/1064247788.db2.gz BFRBIQRJUKHERI-YFVAEKQCSA-N 1 1 466.586 2.584 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001296141945 1064248032 /nfs/dbraw/zinc/24/80/32/1064248032.db2.gz HCOPGBCDVPAKEV-GOSISDBHSA-N 1 1 464.561 2.799 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766807 1064248517 /nfs/dbraw/zinc/24/85/17/1064248517.db2.gz YXTRUOQZUVJUKN-INIZCTEOSA-N 1 1 484.070 2.584 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001291766722 1064248586 /nfs/dbraw/zinc/24/85/86/1064248586.db2.gz FULQNFHGNGMZBW-OAQYLSRUSA-N 1 1 492.672 2.870 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1C ZINC001296142129 1064248511 /nfs/dbraw/zinc/24/85/11/1064248511.db2.gz JOMTYSIFARWYKE-RBUKOAKNSA-N 1 1 473.622 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291766690 1064248659 /nfs/dbraw/zinc/24/86/59/1064248659.db2.gz FKKFSJHQPUTEKV-IEBWSBKVSA-N 1 1 477.631 2.808 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291766929 1064248977 /nfs/dbraw/zinc/24/89/77/1064248977.db2.gz GVAHRHBXWRKFFQ-ROUUACIJSA-N 1 1 472.590 2.724 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OC(C)C)nc2)C[C@@H]1C ZINC001296142575 1064249459 /nfs/dbraw/zinc/24/94/59/1064249459.db2.gz DJEHQRFCELRJMT-SFHVURJKSA-N 1 1 464.574 2.686 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250468 /nfs/dbraw/zinc/25/04/68/1064250468.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 1 1 454.623 2.576 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250475 /nfs/dbraw/zinc/25/04/75/1064250475.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 1 1 454.623 2.576 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250596 /nfs/dbraw/zinc/25/05/96/1064250596.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 1 1 454.623 2.576 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250607 /nfs/dbraw/zinc/25/06/07/1064250607.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 1 1 454.623 2.576 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296143005 1064251039 /nfs/dbraw/zinc/25/10/39/1064251039.db2.gz OBQNPQYYZFRNHQ-KRWDZBQOSA-N 1 1 475.544 2.968 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001296143274 1064252134 /nfs/dbraw/zinc/25/21/34/1064252134.db2.gz HNBMJXCVWGKFHP-SFHVURJKSA-N 1 1 465.606 2.665 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCNC(=O)[C@H]1CC ZINC001291770954 1064252510 /nfs/dbraw/zinc/25/25/10/1064252510.db2.gz AXHMQFMLXURRJT-WIYYLYMNSA-N 1 1 494.644 2.681 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771364 1064253493 /nfs/dbraw/zinc/25/34/93/1064253493.db2.gz DJNASLHEVHCZAO-FCHUYYIVSA-N 1 1 482.677 2.512 20 0 JFADMO CCn1cnnc1Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296144752 1064253776 /nfs/dbraw/zinc/25/37/76/1064253776.db2.gz VLOVUBVASYLSBP-HNNXBMFYSA-N 1 1 459.396 2.898 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001291771376 1064253929 /nfs/dbraw/zinc/25/39/29/1064253929.db2.gz DKXZOZNQACIEID-RBUKOAKNSA-N 1 1 483.617 2.954 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001296144998 1064255033 /nfs/dbraw/zinc/25/50/33/1064255033.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 1 1 459.396 2.907 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001296144998 1064255036 /nfs/dbraw/zinc/25/50/36/1064255036.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 1 1 459.396 2.907 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001296144998 1064255040 /nfs/dbraw/zinc/25/50/40/1064255040.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 1 1 459.396 2.907 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001291772829 1064256866 /nfs/dbraw/zinc/25/68/66/1064256866.db2.gz CQFUEQZBNGJLLI-CGTJXYLNSA-N 1 1 459.607 2.782 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291773000 1064257451 /nfs/dbraw/zinc/25/74/51/1064257451.db2.gz DFPXTBPPPRBUCV-UNMCSNQZSA-N 1 1 480.723 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296147142 1064257787 /nfs/dbraw/zinc/25/77/87/1064257787.db2.gz QNWJRNMXGDRKNO-IBGZPJMESA-N 1 1 469.634 2.840 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296147174 1064257832 /nfs/dbraw/zinc/25/78/32/1064257832.db2.gz QZFPRMSCJJEOSZ-LJQANCHMSA-N 1 1 488.658 2.502 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258296 /nfs/dbraw/zinc/25/82/96/1064258296.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 1 1 474.675 2.753 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258304 /nfs/dbraw/zinc/25/83/04/1064258304.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 1 1 474.675 2.753 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773414 1064258318 /nfs/dbraw/zinc/25/83/18/1064258318.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 1 1 488.702 2.623 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001291773574 1064258804 /nfs/dbraw/zinc/25/88/04/1064258804.db2.gz HZDGYHXERNWEFC-NTLWEQJWSA-N 1 1 479.647 2.779 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296148174 1064258925 /nfs/dbraw/zinc/25/89/25/1064258925.db2.gz TZULNANZQURRCB-INIZCTEOSA-N 1 1 491.434 2.520 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773685 1064259813 /nfs/dbraw/zinc/25/98/13/1064259813.db2.gz IWTNOXQWJPJKIC-VQTJNVASSA-N 1 1 472.638 2.684 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001291773721 1064259913 /nfs/dbraw/zinc/25/99/13/1064259913.db2.gz VQXOPHXMDDNJNW-DWXRJYCRSA-N 1 1 494.644 2.668 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)C[C@@H]1C ZINC001296148467 1064259932 /nfs/dbraw/zinc/25/99/32/1064259932.db2.gz WIUXFZGAVGUFEV-SBUREZEXSA-N 1 1 461.010 2.961 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774049 1064260686 /nfs/dbraw/zinc/26/06/86/1064260686.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774049 1064260690 /nfs/dbraw/zinc/26/06/90/1064260690.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291773810 1064260807 /nfs/dbraw/zinc/26/08/07/1064260807.db2.gz KGXPCPGCWFWTQI-IAGOWNOFSA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774092 1064261720 /nfs/dbraw/zinc/26/17/20/1064261720.db2.gz LMHIXGRYFRPGFY-UXHICEINSA-N 1 1 454.619 2.536 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](COC)OC)C[C@@H]1C ZINC001296153455 1064263425 /nfs/dbraw/zinc/26/34/25/1064263425.db2.gz BJDIAQWPYOQHKO-HOTGVXAUSA-N 1 1 452.397 2.899 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291774985 1064263618 /nfs/dbraw/zinc/26/36/18/1064263618.db2.gz SWHHTVNWZLRWKN-QUCCMNQESA-N 1 1 491.681 2.838 20 0 JFADMO CCN(CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)S(C)(=O)=O ZINC001296154077 1064263855 /nfs/dbraw/zinc/26/38/55/1064263855.db2.gz BASBIMUZUIARLD-SFHVURJKSA-N 1 1 473.647 2.628 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2C[C@@H](C)SC)c2ccccc2c1=O ZINC001296154243 1064264492 /nfs/dbraw/zinc/26/44/92/1064264492.db2.gz CDPJAFSWDLFUIB-IAGOWNOFSA-N 1 1 455.632 2.957 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775802 1064264861 /nfs/dbraw/zinc/26/48/61/1064264861.db2.gz ZQLPQOSHARDIQV-GCJKJVERSA-N 1 1 491.658 2.924 20 0 JFADMO CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296154504 1064265504 /nfs/dbraw/zinc/26/55/04/1064265504.db2.gz GOGXMXLPJCIOGH-FQEVSTJZSA-N 1 1 490.722 2.887 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778129 1064265766 /nfs/dbraw/zinc/26/57/66/1064265766.db2.gz HUGUSDBIBKSGAG-UXHICEINSA-N 1 1 492.665 2.934 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCCOC(F)F)c2ccccc2c1=O ZINC001296154796 1064265965 /nfs/dbraw/zinc/26/59/65/1064265965.db2.gz KDNNEURIIUZKTH-INIZCTEOSA-N 1 1 475.544 2.835 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296154767 1064266007 /nfs/dbraw/zinc/26/60/07/1064266007.db2.gz JPKSZMZZWUZKDN-MRXNPFEDSA-N 1 1 452.529 2.540 20 0 JFADMO CCN(CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)S(C)(=O)=O ZINC001296154601 1064266077 /nfs/dbraw/zinc/26/60/77/1064266077.db2.gz GURFZXFWAOBWEJ-IBGZPJMESA-N 1 1 487.674 2.639 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001291778324 1064266277 /nfs/dbraw/zinc/26/62/77/1064266277.db2.gz HZQSFSPYGUZMBP-PXNSSMCTSA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001296155708 1064267064 /nfs/dbraw/zinc/26/70/64/1064267064.db2.gz RZMONDDRJHPOFP-KOSHJBKYSA-N 1 1 454.575 2.918 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001291779241 1064267430 /nfs/dbraw/zinc/26/74/30/1064267430.db2.gz ORAWTPUZNQTZPZ-IBGZPJMESA-N 1 1 454.648 2.773 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001296155712 1064267517 /nfs/dbraw/zinc/26/75/17/1064267517.db2.gz RZMONDDRJHPOFP-UUOWRZLLSA-N 1 1 454.575 2.918 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001296155726 1064267634 /nfs/dbraw/zinc/26/76/34/1064267634.db2.gz SDXZHUQRWNKUFE-DZGCQCFKSA-N 1 1 467.437 2.826 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001291780756 1064267768 /nfs/dbraw/zinc/26/77/68/1064267768.db2.gz BFEUQXVJPXPJCK-NRFANRHFSA-N 1 1 461.614 2.957 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291780633 1064267931 /nfs/dbraw/zinc/26/79/31/1064267931.db2.gz AFZAQORNMZEJHL-QGZVFWFLSA-N 1 1 468.693 2.521 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001296155857 1064268019 /nfs/dbraw/zinc/26/80/19/1064268019.db2.gz SDXZHUQRWNKUFE-ZFWWWQNUSA-N 1 1 467.437 2.826 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001291781299 1064268442 /nfs/dbraw/zinc/26/84/42/1064268442.db2.gz DIIKHMYVAHTWDN-ICSRJNTNSA-N 1 1 461.680 2.523 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O ZINC001296155970 1064268691 /nfs/dbraw/zinc/26/86/91/1064268691.db2.gz SMLIEMLNYXKTHL-SFHVURJKSA-N 1 1 494.644 2.510 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269423 /nfs/dbraw/zinc/26/94/23/1064269423.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269429 /nfs/dbraw/zinc/26/94/29/1064269429.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 1 1 491.681 2.601 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001291782027 1064270078 /nfs/dbraw/zinc/27/00/78/1064270078.db2.gz LJHGSTIRWRYZPB-IRLDBZIGSA-N 1 1 453.635 2.740 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)C[C@@H]1C ZINC001296157565 1064270451 /nfs/dbraw/zinc/27/04/51/1064270451.db2.gz ZNNXLBYQEOAZPX-NSHDSACASA-N 1 1 461.311 2.524 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296157506 1064270548 /nfs/dbraw/zinc/27/05/48/1064270548.db2.gz YJSPLBRSCLVYOI-QWFCFKBJSA-N 1 1 470.622 2.911 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291782420 1064271059 /nfs/dbraw/zinc/27/10/59/1064271059.db2.gz OVQAGZXWANOFFS-GGAORHGYSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291782420 1064271067 /nfs/dbraw/zinc/27/10/67/1064271067.db2.gz OVQAGZXWANOFFS-GGAORHGYSA-N 1 1 455.651 2.543 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001296158182 1064271263 /nfs/dbraw/zinc/27/12/63/1064271263.db2.gz GQVZYQWZQPBGHX-AOUJKTHWSA-N 1 1 492.665 2.932 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001291782784 1064273561 /nfs/dbraw/zinc/27/35/61/1064273561.db2.gz GTQKIPALEPCPHD-VLCRHTCISA-N 1 1 470.618 2.843 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001291782895 1064274109 /nfs/dbraw/zinc/27/41/09/1064274109.db2.gz UVKGCOOMWFRDQD-IRLDBZIGSA-N 1 1 468.650 2.576 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001291783059 1064274763 /nfs/dbraw/zinc/27/47/63/1064274763.db2.gz IBDHJTAQNZSCKP-RTBURBONSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001291783298 1064275797 /nfs/dbraw/zinc/27/57/97/1064275797.db2.gz JUCQKIUGEWKUBL-VDGAXYAQSA-N 1 1 459.547 2.710 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001291783386 1064275815 /nfs/dbraw/zinc/27/58/15/1064275815.db2.gz KSWLVRXKWBCNDF-RXVVDRJESA-N 1 1 497.644 2.941 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001291783332 1064275845 /nfs/dbraw/zinc/27/58/45/1064275845.db2.gz JWVJIYQIZCBTBV-HXUWFJFHSA-N 1 1 499.635 2.622 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001291783385 1064275874 /nfs/dbraw/zinc/27/58/74/1064275874.db2.gz KSWLVRXKWBCNDF-NQIIRXRSSA-N 1 1 497.644 2.941 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291784080 1064278357 /nfs/dbraw/zinc/27/83/57/1064278357.db2.gz QLLDDPPNJIFABM-HXUWFJFHSA-N 1 1 494.644 2.538 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001291784071 1064278431 /nfs/dbraw/zinc/27/84/31/1064278431.db2.gz QKRSGUVUFSIJKQ-HXUWFJFHSA-N 1 1 466.634 2.902 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001296163762 1064280014 /nfs/dbraw/zinc/28/00/14/1064280014.db2.gz YQCXLJAYJNMTNQ-WIYYLYMNSA-N 1 1 461.632 2.696 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291785482 1064281182 /nfs/dbraw/zinc/28/11/82/1064281182.db2.gz VRWDIONFPIFYAX-MOPGFXCFSA-N 1 1 477.654 2.576 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@H]1C ZINC001296163957 1064281479 /nfs/dbraw/zinc/28/14/79/1064281479.db2.gz ZLDNMELZACRVQD-GOSISDBHSA-N 1 1 483.082 2.724 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001296164825 1064283261 /nfs/dbraw/zinc/28/32/61/1064283261.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 1 1 459.664 2.674 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001296164825 1064283273 /nfs/dbraw/zinc/28/32/73/1064283273.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 1 1 459.664 2.674 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001296164828 1064283450 /nfs/dbraw/zinc/28/34/50/1064283450.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 1 1 459.664 2.674 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001296164828 1064283458 /nfs/dbraw/zinc/28/34/58/1064283458.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 1 1 459.664 2.674 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296165395 1064283939 /nfs/dbraw/zinc/28/39/39/1064283939.db2.gz ISALREGYPKPTAE-FXAWDEMLSA-N 1 1 475.588 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164878 1064284169 /nfs/dbraw/zinc/28/41/69/1064284169.db2.gz FKLWQKZJKGLKIW-LJQANCHMSA-N 1 1 474.654 2.973 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001296172841 1064294106 /nfs/dbraw/zinc/29/41/06/1064294106.db2.gz ASCRWALQYLYQQZ-MOPGFXCFSA-N 1 1 477.654 2.795 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)C[C@H]1C ZINC001296173294 1064295289 /nfs/dbraw/zinc/29/52/89/1064295289.db2.gz FFENFZSOPKCZJS-FGSXEWAUSA-N 1 1 459.591 2.598 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC001296173295 1064295406 /nfs/dbraw/zinc/29/54/06/1064295406.db2.gz FFENFZSOPKCZJS-SPEDKVCISA-N 1 1 459.591 2.598 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296173370 1064296018 /nfs/dbraw/zinc/29/60/18/1064296018.db2.gz IAOSLIBTQHUXSD-SFHVURJKSA-N 1 1 452.559 2.848 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC001296173803 1064298176 /nfs/dbraw/zinc/29/81/76/1064298176.db2.gz KKDSSBQWUMCXSV-QFIPXVFZSA-N 1 1 467.662 2.542 20 0 JFADMO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C[C@@H]1C ZINC001296173759 1064298588 /nfs/dbraw/zinc/29/85/88/1064298588.db2.gz LSPLCMXNIXBRQM-IEDBIQLYSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@@](=O)CC)C[C@@H]1C ZINC001296173759 1064298607 /nfs/dbraw/zinc/29/86/07/1064298607.db2.gz LSPLCMXNIXBRQM-IEDBIQLYSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296173923 1064299417 /nfs/dbraw/zinc/29/94/17/1064299417.db2.gz MUZKQWVHNPWQQP-NFBKMPQASA-N 1 1 470.662 2.973 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296173919 1064299523 /nfs/dbraw/zinc/29/95/23/1064299523.db2.gz MREYACWEZDVLKU-GOSISDBHSA-N 1 1 454.550 2.582 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C[C@H]1C ZINC001296174118 1064300224 /nfs/dbraw/zinc/30/02/24/1064300224.db2.gz NUNUCBDKNSOSCN-RLLQIKCJSA-N 1 1 472.638 2.784 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174779 1064303056 /nfs/dbraw/zinc/30/30/56/1064303056.db2.gz UDFYUVMTSGLPJP-KRWDZBQOSA-N 1 1 460.696 2.989 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)C1=O ZINC001296178512 1064305324 /nfs/dbraw/zinc/30/53/24/1064305324.db2.gz AAEFGGNTGGRQMH-JOCHJYFZSA-N 1 1 489.709 2.950 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296178733 1064306308 /nfs/dbraw/zinc/30/63/08/1064306308.db2.gz CNLGCBVMUROQER-HWHXTQLESA-N 1 1 474.625 2.934 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179140 1064308294 /nfs/dbraw/zinc/30/82/94/1064308294.db2.gz DMSJSOIGIJWRRT-GMAHTHKFSA-N 1 1 456.635 2.575 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)C1=O ZINC001296179439 1064308765 /nfs/dbraw/zinc/30/87/65/1064308765.db2.gz GJZKJMFBUNWZOW-HXUWFJFHSA-N 1 1 461.655 2.629 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180610 1064312486 /nfs/dbraw/zinc/31/24/86/1064312486.db2.gz OOZKSBQGHSORGB-JTHBVZDNSA-N 1 1 499.679 2.566 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291802849 1064313464 /nfs/dbraw/zinc/31/34/64/1064313464.db2.gz GNHANKJLCKWLLQ-AZUAARDMSA-N 1 1 489.068 2.515 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181158 1064314284 /nfs/dbraw/zinc/31/42/84/1064314284.db2.gz SRIMJVKKTPDHBO-YADARESESA-N 1 1 477.053 2.602 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181825 1064318411 /nfs/dbraw/zinc/31/84/11/1064318411.db2.gz DYVHWJBDMMMHPY-KOSHJBKYSA-N 1 1 462.589 2.524 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181826 1064318486 /nfs/dbraw/zinc/31/84/86/1064318486.db2.gz DYVHWJBDMMMHPY-MHECFPHRSA-N 1 1 462.589 2.524 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181862 1064319249 /nfs/dbraw/zinc/31/92/49/1064319249.db2.gz FOVKSKXSJAAARN-HSZRJFAPSA-N 1 1 454.663 2.969 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)CC1 ZINC001296181858 1064319275 /nfs/dbraw/zinc/31/92/75/1064319275.db2.gz FOEPBCXDPVWGJO-PVAZPRTOSA-N 1 1 472.703 2.620 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001291804222 1064320346 /nfs/dbraw/zinc/32/03/46/1064320346.db2.gz PCSTVQLZDVXPOM-FHWLQOOXSA-N 1 1 470.618 2.940 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291804256 1064320437 /nfs/dbraw/zinc/32/04/37/1064320437.db2.gz PKMGIBRXUKJEHK-KRWDZBQOSA-N 1 1 482.633 2.824 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291804283 1064321195 /nfs/dbraw/zinc/32/11/95/1064321195.db2.gz PRXAXWQOMQRZBV-GAJHUEQPSA-N 1 1 476.025 2.599 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296183827 1064329692 /nfs/dbraw/zinc/32/96/92/1064329692.db2.gz GOTYKQPMBCBULV-NHCUHLMSSA-N 1 1 456.635 2.700 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001291807155 1064330306 /nfs/dbraw/zinc/33/03/06/1064330306.db2.gz YFGVXJNDEDPPEY-GOSISDBHSA-N 1 1 466.565 2.501 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296183848 1064330448 /nfs/dbraw/zinc/33/04/48/1064330448.db2.gz HCUPNFCGTUCCIL-HKUYNNGSSA-N 1 1 494.482 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296184425 1064332276 /nfs/dbraw/zinc/33/22/76/1064332276.db2.gz KXYUCVSHBAWKTA-WMZOPIPTSA-N 1 1 480.455 2.534 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186028 1064333574 /nfs/dbraw/zinc/33/35/74/1064333574.db2.gz SDBBLVJCQQNPKG-JOCHJYFZSA-N 1 1 473.710 2.904 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190053 1064336882 /nfs/dbraw/zinc/33/68/82/1064336882.db2.gz BHZFOPVYDKCCGU-RTWAWAEBSA-N 1 1 488.681 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190362 1064337672 /nfs/dbraw/zinc/33/76/72/1064337672.db2.gz CMLJVJLUJTYQJV-OAQYLSRUSA-N 1 1 487.718 2.509 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291811835 1064338415 /nfs/dbraw/zinc/33/84/15/1064338415.db2.gz NOOBXHRKHCKULC-MHECFPHRSA-N 1 1 458.582 2.690 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190699 1064340290 /nfs/dbraw/zinc/34/02/90/1064340290.db2.gz DYDFIVHPKCTTLP-OAQYLSRUSA-N 1 1 485.652 2.758 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192042 1064343199 /nfs/dbraw/zinc/34/31/99/1064343199.db2.gz LOUVPVAXCLJMQL-JOCHJYFZSA-N 1 1 467.662 2.619 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCOCC2)CC1 ZINC001296192542 1064345974 /nfs/dbraw/zinc/34/59/74/1064345974.db2.gz FPSZDRKCWVEYQX-UHFFFAOYSA-N 1 1 483.661 2.792 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192423 1064346153 /nfs/dbraw/zinc/34/61/53/1064346153.db2.gz FBSYBTAILVNFAP-SFHVURJKSA-N 1 1 456.570 2.747 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192766 1064346630 /nfs/dbraw/zinc/34/66/30/1064346630.db2.gz NQPJNKRVJXPNBR-IRLDBZIGSA-N 1 1 456.635 2.701 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192762 1064346805 /nfs/dbraw/zinc/34/68/05/1064346805.db2.gz NQPJNKRVJXPNBR-IFMALSPDSA-N 1 1 456.635 2.701 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193411 1064351170 /nfs/dbraw/zinc/35/11/70/1064351170.db2.gz PDROLAUYWKMQQB-IEBWSBKVSA-N 1 1 486.608 2.972 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296193562 1064351693 /nfs/dbraw/zinc/35/16/93/1064351693.db2.gz JSAQNECAAJNSPA-VQTJNVASSA-N 1 1 488.080 2.929 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296193811 1064353317 /nfs/dbraw/zinc/35/33/17/1064353317.db2.gz JULVNYORQICCCW-HXUWFJFHSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296194148 1064354601 /nfs/dbraw/zinc/35/46/01/1064354601.db2.gz MAOREIUCXCFWJW-NHCUHLMSSA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194341 1064355541 /nfs/dbraw/zinc/35/55/41/1064355541.db2.gz RIFHOEZOSIXMOO-SFTDATJTSA-N 1 1 489.709 2.950 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291818422 1064355668 /nfs/dbraw/zinc/35/56/68/1064355668.db2.gz VBEQEUKPGLNKDS-PZJWPPBQSA-N 1 1 489.064 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194625 1064356751 /nfs/dbraw/zinc/35/67/51/1064356751.db2.gz MWROTUMZGPJUNH-SFTDATJTSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194623 1064357011 /nfs/dbraw/zinc/35/70/11/1064357011.db2.gz MWROTUMZGPJUNH-RTWAWAEBSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296194768 1064357449 /nfs/dbraw/zinc/35/74/49/1064357449.db2.gz FSAUJMKTVJNZSJ-MJGOQNOKSA-N 1 1 469.556 2.847 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195272 1064359865 /nfs/dbraw/zinc/35/98/65/1064359865.db2.gz NSJHCVARINXYES-NRFANRHFSA-N 1 1 486.709 2.666 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001296195282 1064360299 /nfs/dbraw/zinc/36/02/99/1064360299.db2.gz NVUWAKUJESLYSO-LJQANCHMSA-N 1 1 489.738 2.726 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296195308 1064360335 /nfs/dbraw/zinc/36/03/35/1064360335.db2.gz OLJYJTPBSJKNIL-UHFFFAOYSA-N 1 1 485.599 2.711 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001296195285 1064360380 /nfs/dbraw/zinc/36/03/80/1064360380.db2.gz NWZONYCDCVMVHZ-OAQYLSRUSA-N 1 1 486.709 2.807 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296195607 1064361862 /nfs/dbraw/zinc/36/18/62/1064361862.db2.gz WMDQWHCNYBRSAK-GBESFXJTSA-N 1 1 460.589 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195732 1064363368 /nfs/dbraw/zinc/36/33/68/1064363368.db2.gz QXKMZDZMRPVQGG-MSOLQXFVSA-N 1 1 466.556 2.787 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296196120 1064365826 /nfs/dbraw/zinc/36/58/26/1064365826.db2.gz XJFWDYFRSVTDEO-SFHVURJKSA-N 1 1 460.589 2.644 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3C)C2)CC1 ZINC001296196380 1064366523 /nfs/dbraw/zinc/36/65/23/1064366523.db2.gz SLNFNKNGYXCEHN-DEOSSOPVSA-N 1 1 497.688 2.720 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296196505 1064367361 /nfs/dbraw/zinc/36/73/61/1064367361.db2.gz UDVYINJFELCEPK-RBUKOAKNSA-N 1 1 474.053 2.539 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001291822994 1064367511 /nfs/dbraw/zinc/36/75/11/1064367511.db2.gz PSDPFYFTYVAYDT-RBUKOAKNSA-N 1 1 487.674 2.650 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296196681 1064369752 /nfs/dbraw/zinc/36/97/52/1064369752.db2.gz RNUCGSLDNCZAHH-UHFFFAOYSA-N 1 1 468.572 2.875 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296196945 1064371105 /nfs/dbraw/zinc/37/11/05/1064371105.db2.gz WDFBTOIVZZJXNJ-XZOQPEGZSA-N 1 1 498.672 2.829 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001296197101 1064372598 /nfs/dbraw/zinc/37/25/98/1064372598.db2.gz TZTCDSNSIQLOQS-HSZRJFAPSA-N 1 1 496.704 2.807 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291826552 1064374439 /nfs/dbraw/zinc/37/44/39/1064374439.db2.gz IRRYNJZLXQBIBF-CLOONOSVSA-N 1 1 488.608 2.602 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291826553 1064374455 /nfs/dbraw/zinc/37/44/55/1064374455.db2.gz IRRYNJZLXQBIBF-DFBJGRDBSA-N 1 1 488.608 2.602 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3csc(C)n3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296201847 1064375799 /nfs/dbraw/zinc/37/57/99/1064375799.db2.gz BTPLAGLLPCLFTR-UHFFFAOYSA-N 1 1 461.680 2.667 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)ccc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296202112 1064376634 /nfs/dbraw/zinc/37/66/34/1064376634.db2.gz DPBTWZOLAVPHFS-HSZRJFAPSA-N 1 1 497.688 2.559 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296203497 1064381296 /nfs/dbraw/zinc/38/12/96/1064381296.db2.gz AHJNYWBMCUKPJX-UHFFFAOYSA-N 1 1 481.567 2.570 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296203765 1064383029 /nfs/dbraw/zinc/38/30/29/1064383029.db2.gz PFJCYLXPHKEVML-NHCUHLMSSA-N 1 1 462.683 2.840 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296203794 1064383437 /nfs/dbraw/zinc/38/34/37/1064383437.db2.gz OJQPKNPXSZCICF-HXUWFJFHSA-N 1 1 461.655 2.677 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC001296204325 1064385580 /nfs/dbraw/zinc/38/55/80/1064385580.db2.gz RZYKHDWFNFJRLY-UHFFFAOYSA-N 1 1 487.718 2.918 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296204593 1064386256 /nfs/dbraw/zinc/38/62/56/1064386256.db2.gz TZGUEILFJVTNBV-HSZRJFAPSA-N 1 1 497.688 2.559 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2cccc(O)c2)CC1 ZINC001296204473 1064386463 /nfs/dbraw/zinc/38/64/63/1064386463.db2.gz JQUHOJNAQRUNGL-LJQANCHMSA-N 1 1 452.607 2.609 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001296205876 1064391920 /nfs/dbraw/zinc/39/19/20/1064391920.db2.gz DTFRFBMFOQRWOG-HSZRJFAPSA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001296205952 1064393454 /nfs/dbraw/zinc/39/34/54/1064393454.db2.gz HVUNUXWTZIHYBR-UHFFFAOYSA-N 1 1 494.059 2.534 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296206251 1064393949 /nfs/dbraw/zinc/39/39/49/1064393949.db2.gz LMHYGTCNYDBGMS-QFIPXVFZSA-N 1 1 497.688 2.674 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)OC)CC1 ZINC001296206286 1064394122 /nfs/dbraw/zinc/39/41/22/1064394122.db2.gz MAZVDSYNMQJVDM-UHFFFAOYSA-N 1 1 467.412 2.741 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296206290 1064394149 /nfs/dbraw/zinc/39/41/49/1064394149.db2.gz MIQDENWFMBTKJI-IBGZPJMESA-N 1 1 461.010 2.625 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCN2CC[NH+](CC)CC2)cn1 ZINC001296206796 1064396308 /nfs/dbraw/zinc/39/63/08/1064396308.db2.gz STGWRKGQDVZOMM-UHFFFAOYSA-N 1 1 472.041 2.874 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296207643 1064398884 /nfs/dbraw/zinc/39/88/84/1064398884.db2.gz ZWMNMASVFYINEM-HYBUGGRVSA-N 1 1 486.661 2.851 20 0 JFADMO CC[NH+]1CCC(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)(c2ccccc2)CC1 ZINC001296209252 1064398919 /nfs/dbraw/zinc/39/89/19/1064398919.db2.gz GAGDFCQVNJXRGT-UHFFFAOYSA-N 1 1 458.628 2.519 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC(Cn3cc(C)cn3)CC2)CC1 ZINC001296209870 1064399267 /nfs/dbraw/zinc/39/92/67/1064399267.db2.gz AETCDEJFLZPKPN-UHFFFAOYSA-N 1 1 456.683 2.926 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296209916 1064400270 /nfs/dbraw/zinc/40/02/70/1064400270.db2.gz BLONBJFFQNJFIG-HXUWFJFHSA-N 1 1 484.542 2.803 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296211865 1064402666 /nfs/dbraw/zinc/40/26/66/1064402666.db2.gz QLIGBRJGAUNYFI-IBGZPJMESA-N 1 1 473.632 2.967 20 0 JFADMO CCN1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296212399 1064404385 /nfs/dbraw/zinc/40/43/85/1064404385.db2.gz YEHBAXMXJXYJFN-UHFFFAOYSA-N 1 1 481.617 2.533 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296213364 1064408623 /nfs/dbraw/zinc/40/86/23/1064408623.db2.gz IANAQAAAMRZBCL-HXUWFJFHSA-N 1 1 477.698 2.954 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291834183 1064408628 /nfs/dbraw/zinc/40/86/28/1064408628.db2.gz UVNJVGPTCSSRRL-VXKWHMMOSA-N 1 1 497.688 2.722 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296215959 1064420700 /nfs/dbraw/zinc/42/07/00/1064420700.db2.gz WFMWETNPVVUJQP-OAQYLSRUSA-N 1 1 461.699 2.592 20 0 JFADMO CCn1nc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219156 1064432326 /nfs/dbraw/zinc/43/23/26/1064432326.db2.gz IWVPMIPEJDOUNP-RXVVDRJESA-N 1 1 467.618 2.876 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296226776 1064458039 /nfs/dbraw/zinc/45/80/39/1064458039.db2.gz ZYJJGUXUWOOHDS-KRWDZBQOSA-N 1 1 490.052 2.554 20 0 JFADMO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296229898 1064464124 /nfs/dbraw/zinc/46/41/24/1064464124.db2.gz DCECILKAANSXGX-HOTGVXAUSA-N 1 1 457.687 2.868 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857590 1064465476 /nfs/dbraw/zinc/46/54/76/1064465476.db2.gz ODWMVAVFVCUSLT-HUVFLSCGSA-N 1 1 482.673 2.970 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001291857921 1064466119 /nfs/dbraw/zinc/46/61/19/1064466119.db2.gz QOACRUXRYUEKFP-MDNUFGMLSA-N 1 1 468.646 2.845 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001296232047 1064468772 /nfs/dbraw/zinc/46/87/72/1064468772.db2.gz OVKHHZWZLJEFPB-QGZVFWFLSA-N 1 1 490.052 2.845 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859434 1064469495 /nfs/dbraw/zinc/46/94/95/1064469495.db2.gz ZHTPIYFLLKCHOE-FPOVZHCZSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859434 1064469499 /nfs/dbraw/zinc/46/94/99/1064469499.db2.gz ZHTPIYFLLKCHOE-FPOVZHCZSA-N 1 1 454.619 2.598 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001296233033 1064473252 /nfs/dbraw/zinc/47/32/52/1064473252.db2.gz LGUSEEIALXLHSN-UNMCSNQZSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864485 1064477635 /nfs/dbraw/zinc/47/76/35/1064477635.db2.gz GLVHKXLXUVVRGP-URXFXBBRSA-N 1 1 481.689 2.938 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001296239434 1064485877 /nfs/dbraw/zinc/48/58/77/1064485877.db2.gz JDWKQSTZXBFYFI-HJNYFJLDSA-N 1 1 495.672 2.881 20 0 JFADMO CC[C@@H](c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291873577 1064487323 /nfs/dbraw/zinc/48/73/23/1064487323.db2.gz HFQNMJSPWBTSRC-XMMPIXPASA-N 1 1 481.689 2.903 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291873731 1064488847 /nfs/dbraw/zinc/48/88/47/1064488847.db2.gz AJHYNFPVKBKSMR-YMPZKCBVSA-N 1 1 468.646 2.751 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)N1CCOCC1)c1ccccc1 ZINC001291880952 1064502926 /nfs/dbraw/zinc/50/29/26/1064502926.db2.gz JVFSZQYERWLERR-QFIPXVFZSA-N 1 1 468.646 2.989 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOC)c1ccccc1 ZINC001291887919 1064509817 /nfs/dbraw/zinc/50/98/17/1064509817.db2.gz KWGRMIFEXMXGPE-JOCHJYFZSA-N 1 1 454.619 2.601 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOC)c1ccccc1 ZINC001291887919 1064509825 /nfs/dbraw/zinc/50/98/25/1064509825.db2.gz KWGRMIFEXMXGPE-JOCHJYFZSA-N 1 1 454.619 2.601 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291887943 1064510288 /nfs/dbraw/zinc/51/02/88/1064510288.db2.gz LJEUOCFPGBSCOV-PMVMPFDFSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889179 1064513922 /nfs/dbraw/zinc/51/39/22/1064513922.db2.gz ZQTANGYXGGDGAK-VWNXMTODSA-N 1 1 497.688 2.982 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001296251748 1064515424 /nfs/dbraw/zinc/51/54/24/1064515424.db2.gz UAKBWLNOVRVYAQ-MXEMCNAFSA-N 1 1 490.693 2.516 20 0 JFADMO CC[C@H](c1nnc(N2CCNC(=O)[C@@H]2CC)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001291892734 1064520498 /nfs/dbraw/zinc/52/04/98/1064520498.db2.gz HJHPQEQYMDLVNR-ZEQRLZLVSA-N 1 1 481.689 2.808 20 0 JFADMO C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC001296257214 1064522627 /nfs/dbraw/zinc/52/26/27/1064522627.db2.gz GVTNYFGYUGWCDR-CABCVRRESA-N 1 1 450.377 2.683 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893519 1064522594 /nfs/dbraw/zinc/52/25/94/1064522594.db2.gz MHORVMPEYDYQDA-YADHBBJMSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893519 1064522614 /nfs/dbraw/zinc/52/26/14/1064522614.db2.gz MHORVMPEYDYQDA-YADHBBJMSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894881 1064524299 /nfs/dbraw/zinc/52/42/99/1064524299.db2.gz QWRRMYRILSLBKW-FGZHOGPDSA-N 1 1 474.675 2.822 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894883 1064524410 /nfs/dbraw/zinc/52/44/10/1064524410.db2.gz QWRRMYRILSLBKW-YADHBBJMSA-N 1 1 474.675 2.822 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291895412 1064526355 /nfs/dbraw/zinc/52/63/55/1064526355.db2.gz VWNSDLJYUDDEPY-KUZKVMKQSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291895610 1064527153 /nfs/dbraw/zinc/52/71/53/1064527153.db2.gz XJCMUZUNNQIYDK-UNMCSNQZSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291895609 1064527253 /nfs/dbraw/zinc/52/72/53/1064527253.db2.gz XJCMUZUNNQIYDK-RBBKRZOGSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@H](c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291900929 1064531630 /nfs/dbraw/zinc/53/16/30/1064531630.db2.gz KIQYSRNFUQKDBK-GMAHTHKFSA-N 1 1 472.703 2.662 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC001296274992 1064544563 /nfs/dbraw/zinc/54/45/63/1064544563.db2.gz VUYNKRQIPBXQIA-GOSISDBHSA-N 1 1 495.653 2.598 20 0 JFADMO COC[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001291928024 1064547415 /nfs/dbraw/zinc/54/74/15/1064547415.db2.gz FSDBCFMDHQQCKT-XMMPIXPASA-N 1 1 453.624 2.754 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC001296277738 1064547599 /nfs/dbraw/zinc/54/75/99/1064547599.db2.gz JPFMQSLETJNKQK-PGRDOPGGSA-N 1 1 481.645 2.667 20 0 JFADMO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001296280004 1064550229 /nfs/dbraw/zinc/55/02/29/1064550229.db2.gz KWLFNNUJTCGOTM-IBGZPJMESA-N 1 1 456.564 2.864 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)SC ZINC001291932731 1064550713 /nfs/dbraw/zinc/55/07/13/1064550713.db2.gz KASKYSWEBDSVLZ-MOPGFXCFSA-N 1 1 499.747 2.792 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)SC ZINC001291932731 1064550729 /nfs/dbraw/zinc/55/07/29/1064550729.db2.gz KASKYSWEBDSVLZ-MOPGFXCFSA-N 1 1 499.747 2.792 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001296281104 1064552385 /nfs/dbraw/zinc/55/23/85/1064552385.db2.gz SPKRBIVWCFNYAV-JOCHJYFZSA-N 1 1 452.530 2.577 20 0 JFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001291935427 1064554067 /nfs/dbraw/zinc/55/40/67/1064554067.db2.gz IQONPUBYWQRYBU-HSZRJFAPSA-N 1 1 454.531 2.738 20 0 JFADMO CCC(CC)(Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291941059 1064556991 /nfs/dbraw/zinc/55/69/91/1064556991.db2.gz MQEVACXTFQCHMR-ILBGXUMGSA-N 1 1 479.666 2.825 20 0 JFADMO CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)SC ZINC001291942570 1064559205 /nfs/dbraw/zinc/55/92/05/1064559205.db2.gz GEMRVIXLUVYNAT-JOCHJYFZSA-N 1 1 464.680 2.623 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296287252 1064559500 /nfs/dbraw/zinc/55/95/00/1064559500.db2.gz SGOBKGFRTDJXFI-LADGPHEKSA-N 1 1 481.689 2.810 20 0 JFADMO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC001291958773 1064572654 /nfs/dbraw/zinc/57/26/54/1064572654.db2.gz HAJIVFCVLJLWJV-WIYYLYMNSA-N 1 1 458.603 2.977 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001296298047 1064575466 /nfs/dbraw/zinc/57/54/66/1064575466.db2.gz DLKGSCUOXMCCPI-NRFANRHFSA-N 1 1 485.702 2.621 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296307785 1064588488 /nfs/dbraw/zinc/58/84/88/1064588488.db2.gz ONXRXVCZWLODFQ-IBGZPJMESA-N 1 1 485.633 2.546 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001296307929 1064588967 /nfs/dbraw/zinc/58/89/67/1064588967.db2.gz QJVJNHTYYYQFPL-HXUWFJFHSA-N 1 1 455.607 2.680 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001296309960 1064590539 /nfs/dbraw/zinc/59/05/39/1064590539.db2.gz JVJRSQHANCAJQB-HXUWFJFHSA-N 1 1 456.639 2.503 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296312215 1064591838 /nfs/dbraw/zinc/59/18/38/1064591838.db2.gz VMQIRMCDRQLPLR-PMACEKPBSA-N 1 1 469.634 2.926 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296312217 1064592256 /nfs/dbraw/zinc/59/22/56/1064592256.db2.gz VMQIRMCDRQLPLR-VQTJNVASSA-N 1 1 469.634 2.926 20 0 JFADMO Cc1c(Cl)c(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)sc1S(N)(=O)=O ZINC001291989884 1064605100 /nfs/dbraw/zinc/60/51/00/1064605100.db2.gz CUGJVIQGXJEPGH-GFCCVEGCSA-N 1 1 458.005 2.508 20 0 JFADMO Cc1c(Cl)c(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)sc1S(N)(=O)=O ZINC001291989884 1064605106 /nfs/dbraw/zinc/60/51/06/1064605106.db2.gz CUGJVIQGXJEPGH-GFCCVEGCSA-N 1 1 458.005 2.508 20 0 JFADMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)cc2)C1 ZINC001296323497 1064605854 /nfs/dbraw/zinc/60/58/54/1064605854.db2.gz QPIYKXJWBDTZNO-ZCNNSNEGSA-N 1 1 451.633 2.584 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001296324252 1064608025 /nfs/dbraw/zinc/60/80/25/1064608025.db2.gz HQYFGPBZDVTVPW-GOSISDBHSA-N 1 1 487.674 2.913 20 0 JFADMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCO1 ZINC001296324304 1064608727 /nfs/dbraw/zinc/60/87/27/1064608727.db2.gz YUQMVJOVVIKEHJ-GOSISDBHSA-N 1 1 459.591 2.678 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291993356 1064609033 /nfs/dbraw/zinc/60/90/33/1064609033.db2.gz GWDLWEPNXASANP-MSOLQXFVSA-N 1 1 458.655 2.995 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001292007502 1064627537 /nfs/dbraw/zinc/62/75/37/1064627537.db2.gz OHJVUSXZZMSENS-VWLOTQADSA-N 1 1 478.682 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCCC1(C)C ZINC001292007502 1064627541 /nfs/dbraw/zinc/62/75/41/1064627541.db2.gz OHJVUSXZZMSENS-VWLOTQADSA-N 1 1 478.682 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292013799 1064642421 /nfs/dbraw/zinc/64/24/21/1064642421.db2.gz MNYDUHJFMWOCID-XXBNENTESA-N 1 1 495.672 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCCCS1 ZINC001292016454 1064649264 /nfs/dbraw/zinc/64/92/64/1064649264.db2.gz FFHDJHFLOPEICX-DFQSSKMNSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H]1CCCCS1 ZINC001292016459 1064649281 /nfs/dbraw/zinc/64/92/81/1064649281.db2.gz FFHDJHFLOPEICX-SXLOBPIMSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@]1(C)CCCS1 ZINC001292017586 1064650895 /nfs/dbraw/zinc/65/08/95/1064650895.db2.gz KXQHNXYHWNNQJR-LTMIRXACSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017652 1064651612 /nfs/dbraw/zinc/65/16/12/1064651612.db2.gz LMWDARKOCDEQHH-OFNKIYASSA-N 1 1 487.693 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001292018290 1064653208 /nfs/dbraw/zinc/65/32/08/1064653208.db2.gz QDKZXDTVUUBGBQ-IIBYNOLFSA-N 1 1 476.572 2.680 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025924 1064678299 /nfs/dbraw/zinc/67/82/99/1064678299.db2.gz XCHZBYUSIMDTRJ-ZWKOTPCHSA-N 1 1 491.681 2.982 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030035 1064686065 /nfs/dbraw/zinc/68/60/65/1064686065.db2.gz KKFJPMPWYKEWLK-MJGOQNOKSA-N 1 1 477.654 2.736 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292037528 1064703511 /nfs/dbraw/zinc/70/35/11/1064703511.db2.gz YEFKPVPQPKRZFU-OAQYLSRUSA-N 1 1 493.656 2.948 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)c1c(C)noc1C ZINC001292040822 1064705577 /nfs/dbraw/zinc/70/55/77/1064705577.db2.gz IFSBLRDHFXYJMW-NSYGIPOTSA-N 1 1 487.649 2.906 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCC(=O)Nc1ccccc1 ZINC001292041708 1064706895 /nfs/dbraw/zinc/70/68/95/1064706895.db2.gz OQNVFUVWNSPRNO-SANMLTNESA-N 1 1 497.644 2.526 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC1CC(F)(F)C1 ZINC001292042306 1064707535 /nfs/dbraw/zinc/70/75/35/1064707535.db2.gz RIMCSQUTNHAUPM-NRFANRHFSA-N 1 1 454.566 2.543 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292053688 1064718551 /nfs/dbraw/zinc/71/85/51/1064718551.db2.gz RDVXPIMNTAJXNQ-QFIPXVFZSA-N 1 1 487.693 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@]1(C)CCCS1 ZINC001292055084 1064723255 /nfs/dbraw/zinc/72/32/55/1064723255.db2.gz MUDPESXFXOQNBY-MBSDFSHPSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(F)c(C)c1 ZINC001292055684 1064724613 /nfs/dbraw/zinc/72/46/13/1064724613.db2.gz UEMSHWHDKCUWDT-HXUWFJFHSA-N 1 1 472.609 2.851 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292066915 1064744519 /nfs/dbraw/zinc/74/45/19/1064744519.db2.gz WDNNGFVTIVNWEE-IBGZPJMESA-N 1 1 496.722 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292067711 1064747235 /nfs/dbraw/zinc/74/72/35/1064747235.db2.gz XYIBOLNMDITALB-INIZCTEOSA-N 1 1 460.545 2.574 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072396 1064751188 /nfs/dbraw/zinc/75/11/88/1064751188.db2.gz RALXRFIMTJUAOG-RCDICMHDSA-N 1 1 452.958 2.873 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292081882 1064764423 /nfs/dbraw/zinc/76/44/23/1064764423.db2.gz BWBDWCHABCUOOL-SFHVURJKSA-N 1 1 462.639 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292086103 1064768640 /nfs/dbraw/zinc/76/86/40/1064768640.db2.gz QFYYEKOSHKCGIQ-KRWDZBQOSA-N 1 1 469.625 2.704 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292086426 1064769533 /nfs/dbraw/zinc/76/95/33/1064769533.db2.gz SEYWXQZLZNJWJI-WIYYLYMNSA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292090470 1064775181 /nfs/dbraw/zinc/77/51/81/1064775181.db2.gz OVUMVDTZJLJEDP-VWPQPMDRSA-N 1 1 485.681 2.998 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001292092637 1064780474 /nfs/dbraw/zinc/78/04/74/1064780474.db2.gz YQOAOJOUAPAEQV-RTWAWAEBSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292094428 1064784357 /nfs/dbraw/zinc/78/43/57/1064784357.db2.gz KQEQIJPHZYIHCR-AZUAARDMSA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292094431 1064784461 /nfs/dbraw/zinc/78/44/61/1064784461.db2.gz KQEQIJPHZYIHCR-UYAOXDASSA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CC[NH+]1CCSCC1 ZINC001292094753 1064785611 /nfs/dbraw/zinc/78/56/11/1064785611.db2.gz PFLPYOYOGCIPOM-UXHICEINSA-N 1 1 478.707 2.888 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292095406 1064787226 /nfs/dbraw/zinc/78/72/26/1064787226.db2.gz XQNFXDABUDZVIF-PKOBYXMFSA-N 1 1 472.638 2.831 20 0 JFADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292097930 1064789245 /nfs/dbraw/zinc/78/92/45/1064789245.db2.gz OBLWJFSYWBKBHT-NSHGMRRFSA-N 1 1 454.656 2.915 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292099761 1064790432 /nfs/dbraw/zinc/79/04/32/1064790432.db2.gz FAHFPLIKTYGBJD-KIZRIRGWSA-N 1 1 476.666 2.844 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292099763 1064790515 /nfs/dbraw/zinc/79/05/15/1064790515.db2.gz FAHFPLIKTYGBJD-NPDDRXJXSA-N 1 1 476.666 2.844 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001292104306 1064796516 /nfs/dbraw/zinc/79/65/16/1064796516.db2.gz DNIIRYUVBPQVDD-UHFFFAOYSA-N 1 1 490.674 2.569 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCc1n[nH]c(C)n1 ZINC001292105474 1064799047 /nfs/dbraw/zinc/79/90/47/1064799047.db2.gz LIPCJWWVBZBMNY-UHFFFAOYSA-N 1 1 497.623 2.717 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCc1nc(C)n[nH]1 ZINC001292105474 1064799062 /nfs/dbraw/zinc/79/90/62/1064799062.db2.gz LIPCJWWVBZBMNY-UHFFFAOYSA-N 1 1 497.623 2.717 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCc1nc(C)n[nH]1 ZINC001292105474 1064799075 /nfs/dbraw/zinc/79/90/75/1064799075.db2.gz LIPCJWWVBZBMNY-UHFFFAOYSA-N 1 1 497.623 2.717 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCCc1nnc(C)s1 ZINC001292106162 1064802336 /nfs/dbraw/zinc/80/23/36/1064802336.db2.gz SZIRSJVQZWCCHJ-UHFFFAOYSA-N 1 1 462.668 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001292109839 1064809661 /nfs/dbraw/zinc/80/96/61/1064809661.db2.gz BXJTVOJNSAWBHC-LJQANCHMSA-N 1 1 499.664 2.554 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001292110835 1064816717 /nfs/dbraw/zinc/81/67/17/1064816717.db2.gz NOXQBAUZKAXBHP-FQEVSTJZSA-N 1 1 475.682 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292114734 1064830034 /nfs/dbraw/zinc/83/00/34/1064830034.db2.gz HTUWXWGPGHRHOS-CEXWTWQISA-N 1 1 475.682 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001292115214 1064831899 /nfs/dbraw/zinc/83/18/99/1064831899.db2.gz FMSZSRIAYLXJIH-UHFFFAOYSA-N 1 1 481.645 2.794 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292118109 1064848673 /nfs/dbraw/zinc/84/86/73/1064848673.db2.gz WXTLGHVGJVCCPG-OAQYLSRUSA-N 1 1 469.634 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCOC[C@H]1OC ZINC001292123626 1064862239 /nfs/dbraw/zinc/86/22/39/1064862239.db2.gz HBBHOFCMMHGCLH-ODGPQVTHSA-N 1 1 498.672 2.959 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001292125328 1064869330 /nfs/dbraw/zinc/86/93/30/1064869330.db2.gz BTIYKPCUQDWNQS-GJZUVCINSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@H]1CCOc2ccccc21 ZINC001292126161 1064874369 /nfs/dbraw/zinc/87/43/69/1064874369.db2.gz IXQVHHJIOSEKJF-IBGZPJMESA-N 1 1 470.618 2.531 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292127289 1064881405 /nfs/dbraw/zinc/88/14/05/1064881405.db2.gz ZKYKZDRBWNZWQS-JOCHJYFZSA-N 1 1 489.709 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CSCCS1 ZINC001292132143 1064884475 /nfs/dbraw/zinc/88/44/75/1064884475.db2.gz DVXVBKMDMFMJFT-QZTJIDSGSA-N 1 1 452.694 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCCc1nnc(C)s1 ZINC001292134342 1064893258 /nfs/dbraw/zinc/89/32/58/1064893258.db2.gz RFERHCNTOHCSNZ-GOSISDBHSA-N 1 1 460.652 2.664 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[C@H](OC)C(F)(F)F ZINC001292134536 1064894632 /nfs/dbraw/zinc/89/46/32/1064894632.db2.gz SZTJFHFWRZJJHX-IRXDYDNUSA-N 1 1 460.545 2.838 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292143449 1064912062 /nfs/dbraw/zinc/91/20/62/1064912062.db2.gz FHHFQNDDJHYLNQ-RTBURBONSA-N 1 1 488.637 2.765 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001292145429 1064919539 /nfs/dbraw/zinc/91/95/39/1064919539.db2.gz GYYJDIQATNEUAQ-HXUWFJFHSA-N 1 1 464.680 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292154512 1064934716 /nfs/dbraw/zinc/93/47/16/1064934716.db2.gz DBKBYBDBYXPGNZ-BTHPGYMESA-N 1 1 458.607 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292154620 1064935756 /nfs/dbraw/zinc/93/57/56/1064935756.db2.gz IHKPVZQKTGITRI-BZEYQNPTSA-N 1 1 476.666 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001292165666 1064953140 /nfs/dbraw/zinc/95/31/40/1064953140.db2.gz PAKJOFAZAXTEAF-CJFMBICVSA-N 1 1 476.666 2.847 20 0 JFADMO O=C([C@H]1CCCN1c1ncnc2ccccc21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001292166981 1064954857 /nfs/dbraw/zinc/95/48/57/1064954857.db2.gz CGDFETDDVPRKLT-LJQANCHMSA-N 1 1 451.493 2.712 20 0 JFADMO O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001292168793 1064955505 /nfs/dbraw/zinc/95/55/05/1064955505.db2.gz ZNYSLVBINCJPRL-UHFFFAOYSA-N 1 1 458.449 2.551 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173177 1064961169 /nfs/dbraw/zinc/96/11/69/1064961169.db2.gz PCUWVSVHTYFPIP-MIZPHKNDSA-N 1 1 484.645 2.506 20 0 JFADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173587 1064962110 /nfs/dbraw/zinc/96/21/10/1064962110.db2.gz NNDWZFRLVYKJOE-BBTUJRGHSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292173846 1064963103 /nfs/dbraw/zinc/96/31/03/1064963103.db2.gz SZDZBHCVMWZQJY-WUMKDDEVSA-N 1 1 468.646 2.791 20 0 JFADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292176171 1064966319 /nfs/dbraw/zinc/96/63/19/1064966319.db2.gz WZGAUOSBLHQBCI-LVCYWYKZSA-N 1 1 460.648 2.714 20 0 JFADMO COCC[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 ZINC001292191696 1064983929 /nfs/dbraw/zinc/98/39/29/1064983929.db2.gz NCOWSJKVJCIHOZ-UHFFFAOYSA-N 1 1 453.511 2.560 20 0 JFADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292197541 1064989595 /nfs/dbraw/zinc/98/95/95/1064989595.db2.gz GSRGZBSXRHDHIU-UQBPGWFLSA-N 1 1 487.649 2.888 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC001292206712 1064995394 /nfs/dbraw/zinc/99/53/94/1064995394.db2.gz GLVGXIODYVXEMA-UGKGYDQZSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC)[N@H+]1CCc2ccccc2C1 ZINC001292206712 1064995404 /nfs/dbraw/zinc/99/54/04/1064995404.db2.gz GLVGXIODYVXEMA-UGKGYDQZSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208845 1064998496 /nfs/dbraw/zinc/99/84/96/1064998496.db2.gz GBEDPTIOCZTAHX-AZUAARDMSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208845 1064998503 /nfs/dbraw/zinc/99/85/03/1064998503.db2.gz GBEDPTIOCZTAHX-AZUAARDMSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292218871 1065005681 /nfs/dbraw/zinc/00/56/81/1065005681.db2.gz JVRFWHCYFAJMHP-WTIAFYNJSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292218871 1065005693 /nfs/dbraw/zinc/00/56/93/1065005693.db2.gz JVRFWHCYFAJMHP-WTIAFYNJSA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292219338 1065006811 /nfs/dbraw/zinc/00/68/11/1065006811.db2.gz NEBFZXDQEHQIHG-PWRODBHTSA-N 1 1 492.665 2.634 20 0 JFADMO CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1)OC ZINC001292222671 1065009394 /nfs/dbraw/zinc/00/93/94/1065009394.db2.gz GAKNMJAOTQYRSM-NNMXDRDESA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001292225253 1065012568 /nfs/dbraw/zinc/01/25/68/1065012568.db2.gz QICHHXABLIKTSK-NMLBUPMWSA-N 1 1 480.654 2.930 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001292225870 1065013253 /nfs/dbraw/zinc/01/32/53/1065013253.db2.gz QEPHBDSIUBAGEG-BHIFYINESA-N 1 1 475.659 2.564 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292243507 1065026465 /nfs/dbraw/zinc/02/64/65/1065026465.db2.gz MSDGVOAYKMICDP-YADHBBJMSA-N 1 1 499.660 2.726 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC001292248762 1065031554 /nfs/dbraw/zinc/03/15/54/1065031554.db2.gz PRXHQLSDSYXQFE-KRWDZBQOSA-N 1 1 452.546 2.850 20 0 JFADMO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001292254865 1065037605 /nfs/dbraw/zinc/03/76/05/1065037605.db2.gz HTBUIWVCUGCEKP-XZWCOCNFSA-N 1 1 492.665 2.775 20 0 JFADMO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001292267915 1065047333 /nfs/dbraw/zinc/04/73/33/1065047333.db2.gz NUPNXCFUDACGJD-PMACEKPBSA-N 1 1 492.690 2.540 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292280775 1065055618 /nfs/dbraw/zinc/05/56/18/1065055618.db2.gz YRVWKLPIOPCKIF-SFTDATJTSA-N 1 1 454.619 2.881 20 0 JFADMO CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001292289237 1065061291 /nfs/dbraw/zinc/06/12/91/1065061291.db2.gz KUSJYMHZHJDLCC-IRLDBZIGSA-N 1 1 457.619 2.608 20 0 JFADMO CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001292291665 1065062367 /nfs/dbraw/zinc/06/23/67/1065062367.db2.gz AUJWHUQCZKWGFN-IRLDBZIGSA-N 1 1 457.619 2.874 20 0 JFADMO CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001292292128 1065063690 /nfs/dbraw/zinc/06/36/90/1065063690.db2.gz QUNVKNBYXXVURS-HXUWFJFHSA-N 1 1 454.619 2.662 20 0 JFADMO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC001292293369 1065065392 /nfs/dbraw/zinc/06/53/92/1065065392.db2.gz UHGXZZQUZYURBK-OAQYLSRUSA-N 1 1 458.559 2.548 20 0 JFADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001292314886 1065082351 /nfs/dbraw/zinc/08/23/51/1065082351.db2.gz VOOLBQODDPCVAR-QGZVFWFLSA-N 1 1 459.953 2.556 20 0 JFADMO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001292339565 1065090833 /nfs/dbraw/zinc/09/08/33/1065090833.db2.gz MLZFEPOYTXZVAT-SQJMNOBHSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@]1(C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001292369264 1065111401 /nfs/dbraw/zinc/11/14/01/1065111401.db2.gz NKQGPONCDOOLSG-NTKDMRAZSA-N 1 1 490.674 2.632 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001292369263 1065111416 /nfs/dbraw/zinc/11/14/16/1065111416.db2.gz NKQGPONCDOOLSG-DVECYGJZSA-N 1 1 490.674 2.632 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001292378082 1065120861 /nfs/dbraw/zinc/12/08/61/1065120861.db2.gz UYWNYDSAHDVXPJ-IEBWSBKVSA-N 1 1 452.669 2.922 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001292391957 1065131008 /nfs/dbraw/zinc/13/10/08/1065131008.db2.gz UKUJOKOVAACQQM-PWRODBHTSA-N 1 1 456.587 2.906 20 0 JFADMO CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001292393361 1065132199 /nfs/dbraw/zinc/13/21/99/1065132199.db2.gz AGRQEENGVBBEIW-QFIPXVFZSA-N 1 1 493.699 2.527 20 0 JFADMO C[C@@H](NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454322 1065176156 /nfs/dbraw/zinc/17/61/56/1065176156.db2.gz MPLFQMIXMDVIEI-FQRUVTKNSA-N 1 1 450.583 2.757 20 0 JFADMO CCc1ccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC001292462465 1065192252 /nfs/dbraw/zinc/19/22/52/1065192252.db2.gz TUPULOJERCRVBX-NHCUHLMSSA-N 1 1 463.648 2.866 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292477916 1065201799 /nfs/dbraw/zinc/20/17/99/1065201799.db2.gz DCZNBAMPMWHXIE-SIKLNZKXSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001292495514 1065213661 /nfs/dbraw/zinc/21/36/61/1065213661.db2.gz ZTNKYULRFDALLQ-UHFFFAOYSA-N 1 1 468.646 2.925 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292507548 1065225531 /nfs/dbraw/zinc/22/55/31/1065225531.db2.gz JZFFOCBIZDMDFZ-KDYSTLNUSA-N 1 1 482.673 2.953 20 0 JFADMO CCc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001292512766 1065231093 /nfs/dbraw/zinc/23/10/93/1065231093.db2.gz URZNQVBZXIPEEW-UHFFFAOYSA-N 1 1 462.664 2.710 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001292513625 1065233608 /nfs/dbraw/zinc/23/36/08/1065233608.db2.gz ITZZBZZFIYQFPV-UHFFFAOYSA-N 1 1 456.591 2.507 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001292513625 1065233617 /nfs/dbraw/zinc/23/36/17/1065233617.db2.gz ITZZBZZFIYQFPV-UHFFFAOYSA-N 1 1 456.591 2.507 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292513759 1065234551 /nfs/dbraw/zinc/23/45/51/1065234551.db2.gz MPBWFLSJKIRGHU-SFTDATJTSA-N 1 1 483.661 2.810 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292518715 1065243642 /nfs/dbraw/zinc/24/36/42/1065243642.db2.gz WMBVFXRXSIBUNO-QFIPXVFZSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292520465 1065245409 /nfs/dbraw/zinc/24/54/09/1065245409.db2.gz KFLXTPCALXDMDU-OFVILXPXSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)s1 ZINC001292547951 1065268448 /nfs/dbraw/zinc/26/84/48/1065268448.db2.gz INDASIHXSHFSDI-GOSISDBHSA-N 1 1 460.648 2.733 20 0 JFADMO CCc1ccc(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC001292552226 1065270055 /nfs/dbraw/zinc/27/00/55/1065270055.db2.gz QZVKWRSLOMLNPU-BBTUJRGHSA-N 1 1 463.648 2.831 20 0 JFADMO CCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)s1 ZINC001292556181 1065273304 /nfs/dbraw/zinc/27/33/04/1065273304.db2.gz PPWRYLMMAIBQRG-LJQANCHMSA-N 1 1 474.675 2.835 20 0 JFADMO CCc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)s1 ZINC001292556181 1065273316 /nfs/dbraw/zinc/27/33/16/1065273316.db2.gz PPWRYLMMAIBQRG-LJQANCHMSA-N 1 1 474.675 2.835 20 0 JFADMO CCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)s1 ZINC001292556180 1065273345 /nfs/dbraw/zinc/27/33/45/1065273345.db2.gz PPWRYLMMAIBQRG-IBGZPJMESA-N 1 1 474.675 2.835 20 0 JFADMO CCc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)s1 ZINC001292556180 1065273357 /nfs/dbraw/zinc/27/33/57/1065273357.db2.gz PPWRYLMMAIBQRG-IBGZPJMESA-N 1 1 474.675 2.835 20 0 JFADMO CCc1ccccc1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001292567024 1065277892 /nfs/dbraw/zinc/27/78/92/1065277892.db2.gz NXNDJGLDAMDXOU-CPJSRVTESA-N 1 1 457.619 2.914 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292579691 1065295450 /nfs/dbraw/zinc/29/54/50/1065295450.db2.gz XURACDLEMRKOBH-IFMALSPDSA-N 1 1 484.645 2.778 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)O ZINC001292589142 1065305188 /nfs/dbraw/zinc/30/51/88/1065305188.db2.gz IBLIHTHEKFFLNC-LEWJYISDSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589414 1065305217 /nfs/dbraw/zinc/30/52/17/1065305217.db2.gz LLQZGDFGJXOWNI-OALUTQOASA-N 1 1 477.613 2.881 20 0 JFADMO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001292591445 1065309004 /nfs/dbraw/zinc/30/90/04/1065309004.db2.gz UOWSNMVNTZYQPS-MRXNPFEDSA-N 1 1 454.518 2.873 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292604431 1065328818 /nfs/dbraw/zinc/32/88/18/1065328818.db2.gz UUKIPRHTACOOGM-PMACEKPBSA-N 1 1 454.619 2.853 20 0 JFADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([C@@H]3c4ccccc4NC3=O)CC2)CC1 ZINC001292622857 1065358327 /nfs/dbraw/zinc/35/83/27/1065358327.db2.gz ZEQLGGDHVFQWMT-JOCHJYFZSA-N 1 1 456.587 2.950 20 0 JFADMO CCc1cnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001292626869 1065364455 /nfs/dbraw/zinc/36/44/55/1065364455.db2.gz UUBPVZSYPDNOEG-IBGZPJMESA-N 1 1 494.731 2.998 20 0 JFADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 ZINC001292635972 1065374096 /nfs/dbraw/zinc/37/40/96/1065374096.db2.gz PLDZKZYYQYXOTG-MRXNPFEDSA-N 1 1 458.584 2.755 20 0 JFADMO O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660338 1065395888 /nfs/dbraw/zinc/39/58/88/1065395888.db2.gz GCYYOENXZDIAEI-UHFFFAOYSA-N 1 1 452.555 2.952 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001292678508 1065417723 /nfs/dbraw/zinc/41/77/23/1065417723.db2.gz NPMUKFNBXPJDAT-GAJHUEQPSA-N 1 1 455.632 2.855 20 0 JFADMO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)o1 ZINC001292678063 1065417834 /nfs/dbraw/zinc/41/78/34/1065417834.db2.gz CBHMWGUYGTUHFO-JKSUJKDBSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cs1 ZINC001292696730 1065447194 /nfs/dbraw/zinc/44/71/94/1065447194.db2.gz ZLRLBMPBVLPHNB-OAQYLSRUSA-N 1 1 475.707 2.894 20 0 JFADMO CCc1nc(CCn2c(CC(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC001292710506 1065465789 /nfs/dbraw/zinc/46/57/89/1065465789.db2.gz DKAPVOWLADBNQS-KDURUIRLSA-N 1 1 459.639 2.990 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292720642 1065480812 /nfs/dbraw/zinc/48/08/12/1065480812.db2.gz LHUYXQCTFMTDLF-DLBZAZTESA-N 1 1 483.708 2.664 20 0 JFADMO CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cs1 ZINC001292737526 1065498921 /nfs/dbraw/zinc/49/89/21/1065498921.db2.gz LOANANFGMWMQKL-MSOLQXFVSA-N 1 1 478.663 2.759 20 0 JFADMO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001292768666 1065523484 /nfs/dbraw/zinc/52/34/84/1065523484.db2.gz DMTAPZSCNPYBJK-RBUKOAKNSA-N 1 1 493.100 2.784 20 0 JFADMO CN1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)c2)CC1 ZINC001292770394 1065526941 /nfs/dbraw/zinc/52/69/41/1065526941.db2.gz GESFPWSYFUVMTB-DEOSSOPVSA-N 1 1 450.583 2.851 20 0 JFADMO CCc1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001292782473 1065542415 /nfs/dbraw/zinc/54/24/15/1065542415.db2.gz FIQKYBUPIDXKDR-UHFFFAOYSA-N 1 1 460.652 2.533 20 0 JFADMO CCc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803153 1065560902 /nfs/dbraw/zinc/56/09/02/1065560902.db2.gz UPVKPGISVHMBIY-CEXWTWQISA-N 1 1 463.648 2.941 20 0 JFADMO CCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001292813702 1065564196 /nfs/dbraw/zinc/56/41/96/1065564196.db2.gz OFFCYBBDGIMSTQ-LEWJYISDSA-N 1 1 462.589 2.907 20 0 JFADMO CCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001292813751 1065564256 /nfs/dbraw/zinc/56/42/56/1065564256.db2.gz PKCFNSHMFPXPFQ-HXUWFJFHSA-N 1 1 470.618 2.845 20 0 JFADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccccc1Cn1cccn1 ZINC001292819858 1065566645 /nfs/dbraw/zinc/56/66/45/1065566645.db2.gz NMNLRAXGFJKIFX-UHFFFAOYSA-N 1 1 451.619 2.928 20 0 JFADMO CCc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292862969 1065578336 /nfs/dbraw/zinc/57/83/36/1065578336.db2.gz DDQMRWXLNGKZQA-FQEVSTJZSA-N 1 1 462.664 2.684 20 0 JFADMO C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001292863760 1065578713 /nfs/dbraw/zinc/57/87/13/1065578713.db2.gz BOEUMJKZUHUSAZ-SFHVURJKSA-N 1 1 454.546 2.884 20 0 JFADMO CCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292863030 1065578806 /nfs/dbraw/zinc/57/88/06/1065578806.db2.gz FBLFIMSHSOIRCA-KDURUIRLSA-N 1 1 452.603 2.941 20 0 JFADMO Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001292864894 1065579410 /nfs/dbraw/zinc/57/94/10/1065579410.db2.gz NDXMXUUDKBURSY-UHFFFAOYSA-N 1 1 451.615 2.761 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1cccc(Cl)c1 ZINC001292893207 1065593083 /nfs/dbraw/zinc/59/30/83/1065593083.db2.gz MHBCLJFSMCENDG-DYESRHJHSA-N 1 1 461.010 2.562 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCOc1cccc(Cl)c1 ZINC001292893208 1065593188 /nfs/dbraw/zinc/59/31/88/1065593188.db2.gz MHBCLJFSMCENDG-LAUBAEHRSA-N 1 1 461.010 2.562 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900022 1065598193 /nfs/dbraw/zinc/59/81/93/1065598193.db2.gz RJVOQFNCGKKVGI-FUHWJXTLSA-N 1 1 468.524 2.576 20 0 JFADMO CCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292907492 1065599095 /nfs/dbraw/zinc/59/90/95/1065599095.db2.gz SQGFJBVPIZXAQB-NNWRFLSQSA-N 1 1 454.619 2.750 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909396 1065599583 /nfs/dbraw/zinc/59/95/83/1065599583.db2.gz VNWSDFWJYVRKNC-QUCCMNQESA-N 1 1 450.539 2.849 20 0 JFADMO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001292922261 1065608058 /nfs/dbraw/zinc/60/80/58/1065608058.db2.gz BKHNMUMPLVUWST-XLIONFOSSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001292922261 1065608066 /nfs/dbraw/zinc/60/80/66/1065608066.db2.gz BKHNMUMPLVUWST-XLIONFOSSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292929705 1065619823 /nfs/dbraw/zinc/61/98/23/1065619823.db2.gz NOJJZAQKTCBBAQ-OAQYLSRUSA-N 1 1 460.589 2.644 20 0 JFADMO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292933743 1065623191 /nfs/dbraw/zinc/62/31/91/1065623191.db2.gz XPWHNNNYBCPBFT-LJQANCHMSA-N 1 1 456.454 2.927 20 0 JFADMO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292934160 1065623939 /nfs/dbraw/zinc/62/39/39/1065623939.db2.gz LFXNSINSMLCXHK-DEOSSOPVSA-N 1 1 458.626 2.957 20 0 JFADMO CC(=O)N[C@@H](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC001292948796 1065629868 /nfs/dbraw/zinc/62/98/68/1065629868.db2.gz IBCXMZVHNZQUAA-VQTJNVASSA-N 1 1 450.555 2.699 20 0 JFADMO Cc1cc(C(F)(F)F)n2nc(C(=O)NC[C@H](c3cccs3)N3CC[NH+](C)CC3)cc2n1 ZINC001292949637 1065629899 /nfs/dbraw/zinc/62/98/99/1065629899.db2.gz QXVHADLWYDVITF-OAHLLOKOSA-N 1 1 452.506 2.837 20 0 JFADMO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001292961558 1065642972 /nfs/dbraw/zinc/64/29/72/1065642972.db2.gz GVHDXNPFCNDWLN-HXUWFJFHSA-N 1 1 470.666 2.733 20 0 JFADMO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC001292967654 1065646654 /nfs/dbraw/zinc/64/66/54/1065646654.db2.gz ZTGWUWJTYDXIFZ-XMMPIXPASA-N 1 1 452.599 2.556 20 0 JFADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001292979519 1065661448 /nfs/dbraw/zinc/66/14/48/1065661448.db2.gz WOZNKRCMBCHPLF-UHFFFAOYSA-N 1 1 499.651 2.995 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292987738 1065673869 /nfs/dbraw/zinc/67/38/69/1065673869.db2.gz SCFQAAKQMBXJQN-TZIWHRDSSA-N 1 1 474.675 2.659 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292987737 1065673927 /nfs/dbraw/zinc/67/39/27/1065673927.db2.gz SCFQAAKQMBXJQN-PZJWPPBQSA-N 1 1 474.675 2.659 20 0 JFADMO COc1ccc(/C=C(/C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c2cccs2)cc1 ZINC001293003333 1065688657 /nfs/dbraw/zinc/68/86/57/1065688657.db2.gz BXSWNSSNKKJLIQ-DYTRJAOYSA-N 1 1 454.596 2.809 20 0 JFADMO CCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293011497 1065691741 /nfs/dbraw/zinc/69/17/41/1065691741.db2.gz FMAIINAMRSILMS-KRWDZBQOSA-N 1 1 453.513 2.569 20 0 JFADMO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293035554 1065704136 /nfs/dbraw/zinc/70/41/36/1065704136.db2.gz NSAGEKOXFWGMCN-VQTJNVASSA-N 1 1 491.681 2.619 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293039448 1065707683 /nfs/dbraw/zinc/70/76/83/1065707683.db2.gz BDVUQPKDBZPBBN-VXKWHMMOSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293039448 1065707693 /nfs/dbraw/zinc/70/76/93/1065707693.db2.gz BDVUQPKDBZPBBN-VXKWHMMOSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293063281 1065716736 /nfs/dbraw/zinc/71/67/36/1065716736.db2.gz ZZLNPJKPQGURGN-IBGZPJMESA-N 1 1 460.648 2.755 20 0 JFADMO C[N@@H+](CCN1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065599 1065717251 /nfs/dbraw/zinc/71/72/51/1065717251.db2.gz CLPJPSXOWKKOQE-QHCPKHFHSA-N 1 1 455.002 2.969 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293067447 1065718951 /nfs/dbraw/zinc/71/89/51/1065718951.db2.gz ABTUCTUKLJWENJ-UHFFFAOYSA-N 1 1 495.716 2.786 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001293068388 1065720068 /nfs/dbraw/zinc/72/00/68/1065720068.db2.gz FYLSLCDLNBCVRE-UHFFFAOYSA-N 1 1 485.580 2.693 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001293068388 1065720081 /nfs/dbraw/zinc/72/00/81/1065720081.db2.gz FYLSLCDLNBCVRE-UHFFFAOYSA-N 1 1 485.580 2.693 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293069436 1065722475 /nfs/dbraw/zinc/72/24/75/1065722475.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 1 1 450.635 2.807 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293069436 1065722485 /nfs/dbraw/zinc/72/24/85/1065722485.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 1 1 450.635 2.807 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001293069483 1065722965 /nfs/dbraw/zinc/72/29/65/1065722965.db2.gz XAIVPUSNMWNETO-UHFFFAOYSA-N 1 1 456.635 2.781 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001293069483 1065722979 /nfs/dbraw/zinc/72/29/79/1065722979.db2.gz XAIVPUSNMWNETO-UHFFFAOYSA-N 1 1 456.635 2.781 20 0 JFADMO C[N@@H+](CCN1CCN(C(=O)c2cnn3cccc(Br)c23)CC1)Cc1ccccc1 ZINC001293072846 1065725783 /nfs/dbraw/zinc/72/57/83/1065725783.db2.gz NVKSLHINEAZEMY-UHFFFAOYSA-N 1 1 456.388 2.987 20 0 JFADMO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293093081 1065741347 /nfs/dbraw/zinc/74/13/47/1065741347.db2.gz QDJGHLODNWFOAQ-URXFXBBRSA-N 1 1 467.662 2.701 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001293094394 1065743839 /nfs/dbraw/zinc/74/38/39/1065743839.db2.gz NSFUMFYNQDPSNY-LEWJYISDSA-N 1 1 459.683 2.674 20 0 JFADMO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293097222 1065747483 /nfs/dbraw/zinc/74/74/83/1065747483.db2.gz BKVTUWPUOVEGBK-IBGZPJMESA-N 1 1 461.605 2.719 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001293115438 1065760735 /nfs/dbraw/zinc/76/07/35/1065760735.db2.gz AMSKSGBKBIEFIP-PMACEKPBSA-N 1 1 491.681 2.505 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001293115438 1065760743 /nfs/dbraw/zinc/76/07/43/1065760743.db2.gz AMSKSGBKBIEFIP-PMACEKPBSA-N 1 1 491.681 2.505 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293115959 1065762001 /nfs/dbraw/zinc/76/20/01/1065762001.db2.gz IHQBRHNNZNGNTA-ZRBLBEILSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116488 1065763490 /nfs/dbraw/zinc/76/34/90/1065763490.db2.gz MKQFQMUMYLVMQT-MSOLQXFVSA-N 1 1 450.628 2.785 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293118787 1065766402 /nfs/dbraw/zinc/76/64/02/1065766402.db2.gz DTWIEBCNZJEJNL-PKTZIBPZSA-N 1 1 481.689 2.884 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293121003 1065770164 /nfs/dbraw/zinc/77/01/64/1065770164.db2.gz VQXGVSZJGKGDIZ-RBZQAINGSA-N 1 1 487.737 2.979 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001293120810 1065770223 /nfs/dbraw/zinc/77/02/23/1065770223.db2.gz UUENLQUXOTUKFU-UHFFFAOYSA-N 1 1 459.683 2.630 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001293120967 1065770312 /nfs/dbraw/zinc/77/03/12/1065770312.db2.gz JXOYOBRRLDYAAE-LZBANZJXSA-N 1 1 459.683 2.532 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293121732 1065774156 /nfs/dbraw/zinc/77/41/56/1065774156.db2.gz VVUIJVJMFVVKHR-JOCHJYFZSA-N 1 1 481.689 2.932 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293121884 1065774457 /nfs/dbraw/zinc/77/44/57/1065774457.db2.gz XEAFDCYXIKLYEW-QHCPKHFHSA-N 1 1 467.662 2.543 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@H+](C)[C@H](C)CC ZINC001293121949 1065774763 /nfs/dbraw/zinc/77/47/63/1065774763.db2.gz ZYXISUJNSQAWKT-HXUWFJFHSA-N 1 1 455.651 2.948 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cccc(OC)c1OC ZINC001293123947 1065776831 /nfs/dbraw/zinc/77/68/31/1065776831.db2.gz ORNYVAWCJLVHLN-UHFFFAOYSA-N 1 1 453.591 2.579 20 0 JFADMO CCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293129349 1065779909 /nfs/dbraw/zinc/77/99/09/1065779909.db2.gz WHPNJMSVQGEJDK-UHFFFAOYSA-N 1 1 488.750 2.944 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129965 1065780456 /nfs/dbraw/zinc/78/04/56/1065780456.db2.gz CROFBXMZBZEPBH-CJFMBICVSA-N 1 1 491.080 2.633 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132384 1065785012 /nfs/dbraw/zinc/78/50/12/1065785012.db2.gz VZMOOWKFZGNSJT-FCHUYYIVSA-N 1 1 486.661 2.548 20 0 JFADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001293135704 1065786454 /nfs/dbraw/zinc/78/64/54/1065786454.db2.gz GXAMRQSSUXJLHA-QFIPXVFZSA-N 1 1 454.619 2.558 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001293137490 1065787967 /nfs/dbraw/zinc/78/79/67/1065787967.db2.gz PPICOVYJCCFPDY-NRFANRHFSA-N 1 1 455.525 2.838 20 0 JFADMO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293178316 1065802708 /nfs/dbraw/zinc/80/27/08/1065802708.db2.gz SLPYZNJZVMGQFU-XUVXKRRUSA-N 1 1 492.665 2.711 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001293184772 1065808234 /nfs/dbraw/zinc/80/82/34/1065808234.db2.gz KDKXPLJXAVALFD-UXHICEINSA-N 1 1 488.681 2.905 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185515 1065810442 /nfs/dbraw/zinc/81/04/42/1065810442.db2.gz SWMNSQDTVMCUAL-RBUKOAKNSA-N 1 1 452.607 2.936 20 0 JFADMO CN(C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001293202274 1065830538 /nfs/dbraw/zinc/83/05/38/1065830538.db2.gz VWIONQPORLJEEP-SFHVURJKSA-N 1 1 454.612 2.645 20 0 JFADMO CCc1noc(C)c1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC)CC1 ZINC001293206933 1065833020 /nfs/dbraw/zinc/83/30/20/1065833020.db2.gz PECONOYBVVOXHI-WIYYLYMNSA-N 1 1 460.623 2.872 20 0 JFADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210952 1065846569 /nfs/dbraw/zinc/84/65/69/1065846569.db2.gz KNJWXTFHJCAZSH-XGCWNURASA-N 1 1 456.450 2.622 20 0 JFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210952 1065846576 /nfs/dbraw/zinc/84/65/76/1065846576.db2.gz KNJWXTFHJCAZSH-XGCWNURASA-N 1 1 456.450 2.622 20 0 JFADMO C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214190 1065847016 /nfs/dbraw/zinc/84/70/16/1065847016.db2.gz FALLMMDWHCPLDD-XLIONFOSSA-N 1 1 458.603 2.503 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293218775 1065863413 /nfs/dbraw/zinc/86/34/13/1065863413.db2.gz PQRMRKANQHQRNK-MAUQACMESA-N 1 1 490.693 2.790 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293218868 1065863956 /nfs/dbraw/zinc/86/39/56/1065863956.db2.gz PWNDQMTYZPTIGE-MZEQIWSPSA-N 1 1 484.645 2.554 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293219516 1065865502 /nfs/dbraw/zinc/86/55/02/1065865502.db2.gz UZCIVPPTMGWJAB-RXVVDRJESA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001293219365 1065866071 /nfs/dbraw/zinc/86/60/71/1065866071.db2.gz RFRJEIAYPAPQAP-SESVDKBCSA-N 1 1 462.639 2.514 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001293219692 1065867148 /nfs/dbraw/zinc/86/71/48/1065867148.db2.gz OYHUEWQIBIPCBJ-KRWDZBQOSA-N 1 1 478.439 2.635 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293221102 1065874102 /nfs/dbraw/zinc/87/41/02/1065874102.db2.gz WSPVODZZOQHUCP-APWZRJJASA-N 1 1 462.545 2.993 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293240118 1065896943 /nfs/dbraw/zinc/89/69/43/1065896943.db2.gz WUDTUWDMOBUOOS-IFMALSPDSA-N 1 1 468.646 2.960 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cc[nH+]c1C ZINC001293241446 1065900489 /nfs/dbraw/zinc/90/04/89/1065900489.db2.gz CNZYLYJEFIBYEQ-OAQYLSRUSA-N 1 1 451.575 2.784 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293241688 1065901335 /nfs/dbraw/zinc/90/13/35/1065901335.db2.gz DSGKQEJVMPJSTM-GMAHTHKFSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293254540 1065918408 /nfs/dbraw/zinc/91/84/08/1065918408.db2.gz ZCGDQCUDSNIEND-MOPGFXCFSA-N 1 1 454.623 2.576 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293260698 1065923838 /nfs/dbraw/zinc/92/38/38/1065923838.db2.gz ZQUBBMRYYGAZOK-FUMNGEBKSA-N 1 1 454.685 2.881 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293260699 1065923907 /nfs/dbraw/zinc/92/39/07/1065923907.db2.gz ZQUBBMRYYGAZOK-IYWMVGAKSA-N 1 1 454.685 2.881 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285921 1065933918 /nfs/dbraw/zinc/93/39/18/1065933918.db2.gz WNLUGNNIBITNOO-OAHLLOKOSA-N 1 1 453.328 2.546 20 0 JFADMO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293301258 1065941709 /nfs/dbraw/zinc/94/17/09/1065941709.db2.gz JNYVZFUHCZBNTR-FPOVZHCZSA-N 1 1 488.702 2.999 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001293320386 1065947498 /nfs/dbraw/zinc/94/74/98/1065947498.db2.gz HTQUSKTXINQCDA-UWHLTILDSA-N 1 1 496.722 2.746 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)[nH+]1 ZINC001293342460 1065956586 /nfs/dbraw/zinc/95/65/86/1065956586.db2.gz STJFDMRWOZEMCM-MOPGFXCFSA-N 1 1 459.591 2.556 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001293357828 1065963093 /nfs/dbraw/zinc/96/30/93/1065963093.db2.gz BEYHRWVTZJEBPK-LEWJYISDSA-N 1 1 496.660 2.931 20 0 JFADMO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361402 1065965363 /nfs/dbraw/zinc/96/53/63/1065965363.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293361402 1065965373 /nfs/dbraw/zinc/96/53/73/1065965373.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293362532 1065966430 /nfs/dbraw/zinc/96/64/30/1065966430.db2.gz DRXTWSNKXMMLMT-WOJBJXKFSA-N 1 1 478.663 2.877 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)n(C[C@@H]4CCCOC4)c3C)CC2)CC1 ZINC001293362986 1065966675 /nfs/dbraw/zinc/96/66/75/1065966675.db2.gz QDEYQYZETKPPBP-QHCPKHFHSA-N 1 1 458.647 2.938 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 ZINC001293363639 1065967373 /nfs/dbraw/zinc/96/73/73/1065967373.db2.gz JNBLRWBPJXEIGB-MRXNPFEDSA-N 1 1 485.452 2.535 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 ZINC001293363631 1065967439 /nfs/dbraw/zinc/96/74/39/1065967439.db2.gz JNBLRWBPJXEIGB-INIZCTEOSA-N 1 1 485.452 2.535 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001293363827 1065967919 /nfs/dbraw/zinc/96/79/19/1065967919.db2.gz ARVHIHXYZDROST-LJQANCHMSA-N 1 1 496.582 2.838 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293364273 1065968895 /nfs/dbraw/zinc/96/88/95/1065968895.db2.gz MZHFQYHQBDRERX-WMZOPIPTSA-N 1 1 492.466 2.978 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001293364315 1065968941 /nfs/dbraw/zinc/96/89/41/1065968941.db2.gz DRQFEQMTGKZSPM-OAQYLSRUSA-N 1 1 471.654 2.527 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001293364367 1065969031 /nfs/dbraw/zinc/96/90/31/1065969031.db2.gz FMULGOBRWULZDY-SFTDATJTSA-N 1 1 468.650 2.988 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 ZINC001293365052 1065969871 /nfs/dbraw/zinc/96/98/71/1065969871.db2.gz REVNOEWGSQMEQG-IBGZPJMESA-N 1 1 492.466 2.979 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293365105 1065969897 /nfs/dbraw/zinc/96/98/97/1065969897.db2.gz JTABOKKVUOVGQA-RTBURBONSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293365710 1065970766 /nfs/dbraw/zinc/97/07/66/1065970766.db2.gz VZAZNLRFFZENNW-IAGOWNOFSA-N 1 1 499.479 2.924 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001293366621 1065971537 /nfs/dbraw/zinc/97/15/37/1065971537.db2.gz XAQPKOCMHAKSFU-NJDAHSKKSA-N 1 1 471.650 2.905 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 ZINC001293369349 1065972583 /nfs/dbraw/zinc/97/25/83/1065972583.db2.gz DWNNVCMUHAAGQM-IFMALSPDSA-N 1 1 490.674 2.952 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293372699 1065976123 /nfs/dbraw/zinc/97/61/23/1065976123.db2.gz KUUYBERNJJZFKV-IBGZPJMESA-N 1 1 485.599 2.739 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372993 1065976362 /nfs/dbraw/zinc/97/63/62/1065976362.db2.gz LVXFWGTXQJGTPA-LEWJYISDSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373041 1065976691 /nfs/dbraw/zinc/97/66/91/1065976691.db2.gz MGYVEQLCHGPMNJ-GGAORHGYSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373099 1065976920 /nfs/dbraw/zinc/97/69/20/1065976920.db2.gz PCUDFOZYOHKRLY-TZIWHRDSSA-N 1 1 473.666 2.898 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373120 1065977105 /nfs/dbraw/zinc/97/71/05/1065977105.db2.gz PLGDUZCHFDRQMW-NHCUHLMSSA-N 1 1 467.680 2.698 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373094 1065977171 /nfs/dbraw/zinc/97/71/71/1065977171.db2.gz PCUDFOZYOHKRLY-FPOVZHCZSA-N 1 1 473.666 2.898 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373782 1065978037 /nfs/dbraw/zinc/97/80/37/1065978037.db2.gz RKANLRRARAQROT-ROUUACIJSA-N 1 1 471.572 2.568 20 0 JFADMO CC[C@@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374510 1065979697 /nfs/dbraw/zinc/97/96/97/1065979697.db2.gz VSFLUWHHCXMQMX-BHIFYINESA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001293373929 1065979895 /nfs/dbraw/zinc/97/98/95/1065979895.db2.gz SLFXMHVZTZXGDM-BHIFYINESA-N 1 1 485.629 2.502 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@H](C)C1 ZINC001293377333 1065982003 /nfs/dbraw/zinc/98/20/03/1065982003.db2.gz SVDPFKWMSVEHKS-AEFFLSMTSA-N 1 1 459.591 2.507 20 0 JFADMO CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001293378576 1065982506 /nfs/dbraw/zinc/98/25/06/1065982506.db2.gz TYGGRCIIDFNEBG-VQTJNVASSA-N 1 1 455.607 2.789 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293379410 1065983724 /nfs/dbraw/zinc/98/37/24/1065983724.db2.gz OUYYNBKUZHUTOE-SIKLNZKXSA-N 1 1 491.658 2.754 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001293388086 1065988875 /nfs/dbraw/zinc/98/88/75/1065988875.db2.gz YJJRSQNCKZNVPB-DLBZAZTESA-N 1 1 466.677 2.635 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001293388045 1065988945 /nfs/dbraw/zinc/98/89/45/1065988945.db2.gz XXVJAXXICWTYNL-RCZVLFRGSA-N 1 1 462.683 2.973 20 0 JFADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)cs1 ZINC001293447853 1066009647 /nfs/dbraw/zinc/00/96/47/1066009647.db2.gz DWUINQFRGSMGDQ-UHFFFAOYSA-N 1 1 450.630 2.598 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001293455606 1066012416 /nfs/dbraw/zinc/01/24/16/1066012416.db2.gz PBKKZVZRTWLUFH-IPMKNSEASA-N 1 1 460.648 2.571 20 0 JFADMO CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001293485627 1066023079 /nfs/dbraw/zinc/02/30/79/1066023079.db2.gz SKCUZTVYDLSJJC-IRLDBZIGSA-N 1 1 496.722 2.750 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(CCCCC3)O2)CC[N@H+]1CCOC ZINC001293506703 1066030795 /nfs/dbraw/zinc/03/07/95/1066030795.db2.gz FVHQRXZGVTUOPP-RTWAWAEBSA-N 1 1 476.666 2.845 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)C[C@H]1[NH+]1CCOCC1 ZINC001293510121 1066035208 /nfs/dbraw/zinc/03/52/08/1066035208.db2.gz PUIZLDODCCGPKD-RBUKOAKNSA-N 1 1 460.648 2.576 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)C[C@H]1[NH+]1CCOCC1 ZINC001293510140 1066035423 /nfs/dbraw/zinc/03/54/23/1066035423.db2.gz QCTMWRMADSQFBL-VQIMIIECSA-N 1 1 494.562 2.623 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001293510500 1066035810 /nfs/dbraw/zinc/03/58/10/1066035810.db2.gz PDCOKDOTVITVSA-LJQANCHMSA-N 1 1 499.566 2.993 20 0 JFADMO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001293510877 1066036585 /nfs/dbraw/zinc/03/65/85/1066036585.db2.gz UMLUGJVPNSCHEI-FCHUYYIVSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CC)C1)[N@H+]1CCc2ccccc2C1 ZINC001293510879 1066036847 /nfs/dbraw/zinc/03/68/47/1066036847.db2.gz UMLUGJVPNSCHEI-FGZHOGPDSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC001293511364 1066037377 /nfs/dbraw/zinc/03/73/77/1066037377.db2.gz VUNBYIHAQXBXNV-KNQAVFIVSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CN3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293517017 1066040219 /nfs/dbraw/zinc/04/02/19/1066040219.db2.gz GXQMIZDSCZSIEJ-DEOSSOPVSA-N 1 1 470.662 2.829 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCCNC(=O)c2occc2C)C[C@H]1[NH+]1CCOCC1 ZINC001293518100 1066040542 /nfs/dbraw/zinc/04/05/42/1066040542.db2.gz KOLOZEREXQNIBM-VQTJNVASSA-N 1 1 458.607 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293519686 1066041333 /nfs/dbraw/zinc/04/13/33/1066041333.db2.gz ZMEQKBCPPKDIAC-AEFFLSMTSA-N 1 1 466.428 2.608 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293530046 1066049522 /nfs/dbraw/zinc/04/95/22/1066049522.db2.gz CNFLGUVNSWKAOK-FUCAVZNHSA-N 1 1 479.666 2.681 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001293530411 1066049750 /nfs/dbraw/zinc/04/97/50/1066049750.db2.gz FGKGXTXXWZBGNB-XUZZJYLKSA-N 1 1 480.723 2.678 20 0 JFADMO CC[C@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CCN1CCOC ZINC001293530371 1066049801 /nfs/dbraw/zinc/04/98/01/1066049801.db2.gz OUSVLYHYCNLWJA-GMAHTHKFSA-N 1 1 456.635 2.979 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(C)cn2)CC[N@H+]1CCOC ZINC001293541276 1066060869 /nfs/dbraw/zinc/06/08/69/1066060869.db2.gz SVEGKNKCKIHQBJ-OAQYLSRUSA-N 1 1 453.591 2.706 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC(=O)NC2CCCCC2)CC[N@H+]1CCOC ZINC001293549602 1066065605 /nfs/dbraw/zinc/06/56/05/1066065605.db2.gz OKOZMZFJUJUUEV-HXUWFJFHSA-N 1 1 458.607 2.842 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001293549788 1066066272 /nfs/dbraw/zinc/06/62/72/1066066272.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 1 1 460.623 2.504 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@H]1N1CCOCC1 ZINC001293553605 1066068185 /nfs/dbraw/zinc/06/81/85/1066068185.db2.gz QWYFXHNLWALGLF-XMSQKQJNSA-N 1 1 495.043 2.863 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](C)C(C)C)CCN1CCOC ZINC001293558714 1066072416 /nfs/dbraw/zinc/07/24/16/1066072416.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 1 1 458.607 2.561 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)C(C)C)CCN1CCOC ZINC001293558714 1066072426 /nfs/dbraw/zinc/07/24/26/1066072426.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 1 1 458.607 2.561 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293562582 1066075930 /nfs/dbraw/zinc/07/59/30/1066075930.db2.gz VFGWTTFEQOXRRS-ZJSXRUAMSA-N 1 1 458.676 2.929 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293565430 1066077692 /nfs/dbraw/zinc/07/76/92/1066077692.db2.gz MKAQYHLSOQDWKI-WIYYLYMNSA-N 1 1 464.010 2.809 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293566941 1066080227 /nfs/dbraw/zinc/08/02/27/1066080227.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 1 1 470.662 2.911 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293567208 1066080632 /nfs/dbraw/zinc/08/06/32/1066080632.db2.gz YLHZRHTXHLEFIJ-RBBKRZOGSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2ccco2)CC[N@H+]1CCOC ZINC001293568498 1066081073 /nfs/dbraw/zinc/08/10/73/1066081073.db2.gz QCJLMEOHPSVEAB-SFHVURJKSA-N 1 1 470.549 2.654 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC001293570469 1066082702 /nfs/dbraw/zinc/08/27/02/1066082702.db2.gz AFJJJJULXKPTCD-HXUWFJFHSA-N 1 1 483.592 2.698 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cc(OC)ccc2OC)CC[N@H+]1CCOC ZINC001293573141 1066084821 /nfs/dbraw/zinc/08/48/21/1066084821.db2.gz VEQAZFICBRISDB-OAQYLSRUSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C)c(OC)c2)CC[N@H+]1CCOC ZINC001293576119 1066086437 /nfs/dbraw/zinc/08/64/37/1066086437.db2.gz QUWUTDKDXZRPPU-HXUWFJFHSA-N 1 1 451.575 2.647 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293579492 1066089817 /nfs/dbraw/zinc/08/98/17/1066089817.db2.gz RVIZKAABWOUSAB-SFHVURJKSA-N 1 1 456.620 2.598 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC[N@H+]1CCOC ZINC001293582193 1066091460 /nfs/dbraw/zinc/09/14/60/1066091460.db2.gz HWLVHZOJXCGJPI-SFTDATJTSA-N 1 1 470.618 2.612 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@H+]1CCOC ZINC001293583201 1066092722 /nfs/dbraw/zinc/09/27/22/1066092722.db2.gz NFZCUYLPEGQLTQ-OALUTQOASA-N 1 1 492.571 2.734 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@H+]1CCOC ZINC001293583800 1066092973 /nfs/dbraw/zinc/09/29/73/1066092973.db2.gz KHARAOPHBGIDIS-MSOLQXFVSA-N 1 1 460.648 2.816 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293594906 1066103196 /nfs/dbraw/zinc/10/31/96/1066103196.db2.gz MFLXFOQGXXMFBQ-RTWAWAEBSA-N 1 1 492.665 2.586 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC[N@H+]1CCOC ZINC001293595756 1066105384 /nfs/dbraw/zinc/10/53/84/1066105384.db2.gz CVXIZYPFPYQECZ-VQTJNVASSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(COC)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293596823 1066108533 /nfs/dbraw/zinc/10/85/33/1066108533.db2.gz GNZLKSUZOYVFCL-NHCUHLMSSA-N 1 1 463.667 2.857 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293598633 1066112248 /nfs/dbraw/zinc/11/22/48/1066112248.db2.gz WXUZCNOUACXNKK-BPYKYCOYSA-N 1 1 475.634 2.837 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC001293600091 1066115753 /nfs/dbraw/zinc/11/57/53/1066115753.db2.gz PIVYJQQPGBLVFR-FDKIHUSFSA-N 1 1 467.680 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293600624 1066117055 /nfs/dbraw/zinc/11/70/55/1066117055.db2.gz HWRUXIQVFTUZQK-BHDDXSALSA-N 1 1 460.667 2.672 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293606050 1066121834 /nfs/dbraw/zinc/12/18/34/1066121834.db2.gz FHJOQJUBXHFEFO-KAOXLYBCSA-N 1 1 462.683 2.523 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@H+]1CCOC ZINC001293610044 1066125220 /nfs/dbraw/zinc/12/52/20/1066125220.db2.gz BOJDDGYXWMKDEL-DEOSSOPVSA-N 1 1 477.613 2.818 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(CC)c2)CC[N@H+]1CCOC ZINC001293611550 1066127004 /nfs/dbraw/zinc/12/70/04/1066127004.db2.gz GMQUJWGECJCJMG-JOCHJYFZSA-N 1 1 455.582 2.820 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2csc(C)n2)CC[N@H+]1CCOC ZINC001293613005 1066129648 /nfs/dbraw/zinc/12/96/48/1066129648.db2.gz UDQWSHRMSDQGCN-OAQYLSRUSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293616274 1066131962 /nfs/dbraw/zinc/13/19/62/1066131962.db2.gz GGUGDLXIWNQEAY-QFIPXVFZSA-N 1 1 499.660 2.678 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293616662 1066132861 /nfs/dbraw/zinc/13/28/61/1066132861.db2.gz LXJWCMFDEOQTEJ-YPAWHYETSA-N 1 1 456.635 2.872 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2)CC[N@H+]1CCOC ZINC001293620926 1066137342 /nfs/dbraw/zinc/13/73/42/1066137342.db2.gz JBSNNFXXUYVOGQ-HXUWFJFHSA-N 1 1 471.631 2.633 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001293629820 1066144277 /nfs/dbraw/zinc/14/42/77/1066144277.db2.gz MLTPTACBXNYOCR-UNMCSNQZSA-N 1 1 454.619 2.926 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(C)c2)CC[N@H+]1CCOC ZINC001293635863 1066152827 /nfs/dbraw/zinc/15/28/27/1066152827.db2.gz QOJSVIYXAALKRQ-JOCHJYFZSA-N 1 1 467.618 2.803 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293636301 1066153780 /nfs/dbraw/zinc/15/37/80/1066153780.db2.gz SSLGHFUAFYINOH-XUVXKRRUSA-N 1 1 490.674 2.630 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001293636739 1066154310 /nfs/dbraw/zinc/15/43/10/1066154310.db2.gz WDKMDOVZUXPUIN-NRFANRHFSA-N 1 1 485.608 2.883 20 0 JFADMO CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293636742 1066154597 /nfs/dbraw/zinc/15/45/97/1066154597.db2.gz WDOHEHTWXNFMTO-OALUTQOASA-N 1 1 492.715 2.958 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](F)COC)C[C@H]1[NH+]1CCOCC1 ZINC001293638861 1066156720 /nfs/dbraw/zinc/15/67/20/1066156720.db2.gz MEDWODMJGFPXFA-RZUBCFFCSA-N 1 1 461.582 2.697 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C)c2)CC[N@H+]1CCOC ZINC001293650942 1066163477 /nfs/dbraw/zinc/16/34/77/1066163477.db2.gz BJEQXDDQXLAYDU-VABKMULXSA-N 1 1 457.619 2.906 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)Br)CC[N@H+]1CCOC ZINC001293653288 1066165753 /nfs/dbraw/zinc/16/57/53/1066165753.db2.gz NTDKQWXALFHBHX-JYJNAYRXSA-N 1 1 496.397 2.537 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CC[N@H+]1CCOC ZINC001293653940 1066166726 /nfs/dbraw/zinc/16/67/26/1066166726.db2.gz REGGCDGUFJMOCD-DLBZAZTESA-N 1 1 483.539 2.728 20 0 JFADMO COc1cc(N)c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1S(C)(=O)=O ZINC001293677711 1066173029 /nfs/dbraw/zinc/17/30/29/1066173029.db2.gz NWINRIKCAFXOHO-UHFFFAOYSA-N 1 1 457.552 2.836 20 0 JFADMO COc1cc(N)c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1S(C)(=O)=O ZINC001293677711 1066173033 /nfs/dbraw/zinc/17/30/33/1066173033.db2.gz NWINRIKCAFXOHO-UHFFFAOYSA-N 1 1 457.552 2.836 20 0 JFADMO CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293712438 1066180209 /nfs/dbraw/zinc/18/02/09/1066180209.db2.gz RBPLQUWBAWRZNE-HUCIYCNJSA-N 1 1 452.603 2.587 20 0 JFADMO CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293717376 1066180813 /nfs/dbraw/zinc/18/08/13/1066180813.db2.gz JNSCRERMVXDZHH-AWUSRGSFSA-N 1 1 466.630 2.781 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001293763477 1066250428 /nfs/dbraw/zinc/25/04/28/1066250428.db2.gz VCWQSSSCTKYKAE-GOSISDBHSA-N 1 1 484.649 2.541 20 0 JFADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@H+]1C ZINC001293806267 1066315816 /nfs/dbraw/zinc/31/58/16/1066315816.db2.gz JUWBZIPNRCFOLS-PBHICJAKSA-N 1 1 457.556 2.624 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293811285 1066321561 /nfs/dbraw/zinc/32/15/61/1066321561.db2.gz ACGFDDCPBTZVQB-CHZKFRDHSA-N 1 1 468.646 2.793 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293813639 1066322123 /nfs/dbraw/zinc/32/21/23/1066322123.db2.gz QEXFMUVJOWMVQG-SANMLTNESA-N 1 1 483.661 2.662 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001293834394 1066338626 /nfs/dbraw/zinc/33/86/26/1066338626.db2.gz HWBLKAWMHPDCHA-XTJBDQBJSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293835087 1066339986 /nfs/dbraw/zinc/33/99/86/1066339986.db2.gz KXAOJVILEAJDPY-AJTFRIOCSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293853719 1066360319 /nfs/dbraw/zinc/36/03/19/1066360319.db2.gz WJVRREYYCOJUCD-IBGZPJMESA-N 1 1 482.633 2.845 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001293856703 1066364301 /nfs/dbraw/zinc/36/43/01/1066364301.db2.gz OEDLKYFNXNFOEN-JOCHJYFZSA-N 1 1 496.704 2.887 20 0 JFADMO O=C(/C=C/Sc1cc(F)ccc1F)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293860689 1066368897 /nfs/dbraw/zinc/36/88/97/1066368897.db2.gz OFISSECQBAKPIP-GIDUJCDVSA-N 1 1 453.555 2.648 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293866129 1066376448 /nfs/dbraw/zinc/37/64/48/1066376448.db2.gz XBEIRFCXDUVNJS-ONTIZHBOSA-N 1 1 476.666 2.762 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293910980 1066397515 /nfs/dbraw/zinc/39/75/15/1066397515.db2.gz REEYOCGAWIFHOY-RBUKOAKNSA-N 1 1 467.618 2.785 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293911597 1066397893 /nfs/dbraw/zinc/39/78/93/1066397893.db2.gz UQBJCAWXPFJQJQ-IBGZPJMESA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293911597 1066397905 /nfs/dbraw/zinc/39/79/05/1066397905.db2.gz UQBJCAWXPFJQJQ-IBGZPJMESA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293911597 1066397920 /nfs/dbraw/zinc/39/79/20/1066397920.db2.gz UQBJCAWXPFJQJQ-IBGZPJMESA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001293937446 1066421643 /nfs/dbraw/zinc/42/16/43/1066421643.db2.gz PCIGTBPFSUDPRP-IPMKNSEASA-N 1 1 454.623 2.739 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001293960008 1066458604 /nfs/dbraw/zinc/45/86/04/1066458604.db2.gz APJDEZLCYQORFU-FCHUYYIVSA-N 1 1 470.618 2.512 20 0 JFADMO CN1C(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001293981689 1066485148 /nfs/dbraw/zinc/48/51/48/1066485148.db2.gz GIOXRGWBGUEQDN-JKFKMHIGSA-N 1 1 459.949 2.752 20 0 JFADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001293982760 1066487799 /nfs/dbraw/zinc/48/77/99/1066487799.db2.gz WCNALDZKLFTSEW-HTCWZNLXSA-N 1 1 456.546 2.606 20 0 JFADMO CCC[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001293991161 1066494383 /nfs/dbraw/zinc/49/43/83/1066494383.db2.gz HDRYBLJFFSTGAU-ZVDOUQERSA-N 1 1 461.582 2.968 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001293998158 1066500545 /nfs/dbraw/zinc/50/05/45/1066500545.db2.gz VAIGNPKTOWJJFM-SFHVURJKSA-N 1 1 495.466 2.898 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001293998158 1066500555 /nfs/dbraw/zinc/50/05/55/1066500555.db2.gz VAIGNPKTOWJJFM-SFHVURJKSA-N 1 1 495.466 2.898 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294006316 1066504613 /nfs/dbraw/zinc/50/46/13/1066504613.db2.gz MMELSDBIZDUKQJ-NRFANRHFSA-N 1 1 459.639 2.559 20 0 JFADMO CCCc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)o1 ZINC001294043796 1066520679 /nfs/dbraw/zinc/52/06/79/1066520679.db2.gz WJIQVDDLYMCGLT-LJQANCHMSA-N 1 1 456.595 2.523 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001294054645 1066526667 /nfs/dbraw/zinc/52/66/67/1066526667.db2.gz LFYPSMZSXNDBPQ-GCJKJVERSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC[N@H+]1CCOC ZINC001294054987 1066528351 /nfs/dbraw/zinc/52/83/51/1066528351.db2.gz REMXWHQGHIMXCQ-DNRQZRRGSA-N 1 1 476.666 2.799 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@](C)(CC)O2)CC[N@H+]1CCOC ZINC001294054988 1066528425 /nfs/dbraw/zinc/52/84/25/1066528425.db2.gz REMXWHQGHIMXCQ-OTPAQWSUSA-N 1 1 476.666 2.799 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294058582 1066531219 /nfs/dbraw/zinc/53/12/19/1066531219.db2.gz SCWOPYQNHYTEHM-BHDDXSALSA-N 1 1 496.722 2.543 20 0 JFADMO CCC[C@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1CCOC ZINC001294062110 1066534128 /nfs/dbraw/zinc/53/41/28/1066534128.db2.gz UJKNDZPBQNABBU-NRFANRHFSA-N 1 1 458.607 2.525 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294065383 1066535327 /nfs/dbraw/zinc/53/53/27/1066535327.db2.gz CCVPWLZBBHHYMV-HXUWFJFHSA-N 1 1 459.591 2.690 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294067257 1066537299 /nfs/dbraw/zinc/53/72/99/1066537299.db2.gz HHIJUOQFFWAEDM-QGZVFWFLSA-N 1 1 467.412 2.763 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC[N@H+]1CCOC ZINC001294072595 1066541627 /nfs/dbraw/zinc/54/16/27/1066541627.db2.gz HCUUYLNZYMLARA-YADARESESA-N 1 1 454.575 2.778 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC[N@H+]1CCOC ZINC001294074548 1066543745 /nfs/dbraw/zinc/54/37/45/1066543745.db2.gz SJFSOTMUUYWXQE-NRFANRHFSA-N 1 1 469.634 2.726 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294074581 1066543783 /nfs/dbraw/zinc/54/37/83/1066543783.db2.gz TZDFAYXOLVONJK-DVECYGJZSA-N 1 1 461.582 2.827 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CC[N@H+]1CCOC ZINC001294077392 1066546464 /nfs/dbraw/zinc/54/64/64/1066546464.db2.gz OKLCAWACZCXYDB-SFHVURJKSA-N 1 1 456.620 2.680 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@H+]1CCOC ZINC001294077878 1066547272 /nfs/dbraw/zinc/54/72/72/1066547272.db2.gz TVMXGLCEBIBGAT-DENIHFKCSA-N 1 1 465.602 2.774 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001294077887 1066547884 /nfs/dbraw/zinc/54/78/84/1066547884.db2.gz TYQRNSJPIILTTC-YADARESESA-N 1 1 457.623 2.613 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@H+]1CCOC ZINC001294082594 1066551996 /nfs/dbraw/zinc/55/19/96/1066551996.db2.gz MDXWMIUJKILHKV-CVEARBPZSA-N 1 1 460.545 2.755 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001294083052 1066552759 /nfs/dbraw/zinc/55/27/59/1066552759.db2.gz MKETYTMIHKCBHL-QRVBRYPASA-N 1 1 468.593 2.992 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@@H+](CC)CCC)CCO1 ZINC001294083867 1066553166 /nfs/dbraw/zinc/55/31/66/1066553166.db2.gz PNQGVXIIWRQCGT-IBGZPJMESA-N 1 1 467.618 2.929 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085278 1066555217 /nfs/dbraw/zinc/55/52/17/1066555217.db2.gz DPTLDAPPESKFOB-JSXRDJHFSA-N 1 1 467.680 2.554 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001294085530 1066555667 /nfs/dbraw/zinc/55/56/67/1066555667.db2.gz UAKBWGWVGNCKLH-HKUYNNGSSA-N 1 1 494.562 2.826 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001294090917 1066561874 /nfs/dbraw/zinc/56/18/74/1066561874.db2.gz IZERHQKARPSISV-VXKWHMMOSA-N 1 1 478.037 2.875 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294092219 1066563004 /nfs/dbraw/zinc/56/30/04/1066563004.db2.gz UVZDTXUJGGLALM-UUOWRZLLSA-N 1 1 495.640 2.952 20 0 JFADMO CCOC(=O)c1cc2n(n1)CCCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164409633 718866585 /nfs/dbraw/zinc/86/65/85/718866585.db2.gz RYUUQJGRWVRAPF-GOSISDBHSA-N 1 1 498.628 2.664 20 0 JFADMO COC(=O)[C@@H]1CNCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164629733 719135817 /nfs/dbraw/zinc/13/58/17/719135817.db2.gz CWFPPGYRYRAPEI-FQEVSTJZSA-N 1 1 456.974 2.708 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)C1 ZINC001164652099 719315438 /nfs/dbraw/zinc/31/54/38/719315438.db2.gz NSFYGDVWDOWFLX-GOSISDBHSA-N 1 1 455.607 2.658 20 0 JFADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nn2)C1 ZINC001164652102 719315689 /nfs/dbraw/zinc/31/56/89/719315689.db2.gz NSFYGDVWDOWFLX-SFHVURJKSA-N 1 1 455.607 2.658 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)c2)CC1 ZINC001164655339 719322412 /nfs/dbraw/zinc/32/24/12/719322412.db2.gz WCXQNLWVMOSYQB-RUZDIDTESA-N 1 1 467.545 2.735 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(CC(C(=O)NCc5ccc(F)cc5)=NO4)C3)c2)CC1 ZINC001164655340 719322458 /nfs/dbraw/zinc/32/24/58/719322458.db2.gz WCXQNLWVMOSYQB-VWLOTQADSA-N 1 1 467.545 2.735 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)ncn4)C3)C2)cc[nH+]1 ZINC001164664563 719356743 /nfs/dbraw/zinc/35/67/43/719356743.db2.gz OHPCNEZZRYUZRF-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cncc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164665875 719357156 /nfs/dbraw/zinc/35/71/56/719357156.db2.gz ZIZIHJRQNVJGHQ-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)C2)cc[nH+]1 ZINC001164664612 719357292 /nfs/dbraw/zinc/35/72/92/719357292.db2.gz PEAIOTAWIFWXLG-LJQANCHMSA-N 1 1 485.992 2.943 20 0 JFADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164668226 719438927 /nfs/dbraw/zinc/43/89/27/719438927.db2.gz IVAZGFBACICQMV-PMACEKPBSA-N 1 1 451.596 2.710 20 0 JFADMO CN1CCN(c2cccc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)n2)CC1 ZINC001164688484 719592184 /nfs/dbraw/zinc/59/21/84/719592184.db2.gz WVJOFLRYBNRMMM-NRFANRHFSA-N 1 1 455.628 2.561 20 0 JFADMO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4c3CCNC4)CC2)c2ccccc21 ZINC001164680271 719660250 /nfs/dbraw/zinc/66/02/50/719660250.db2.gz DUXBNYNIWSDFMT-GOSISDBHSA-N 1 1 483.060 2.869 20 0 JFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCc4nnc(COc5ccccn5)n4CC3)C2)cc1 ZINC001164688247 719686151 /nfs/dbraw/zinc/68/61/51/719686151.db2.gz YTAQSDTUYSVFSJ-UHFFFAOYSA-N 1 1 468.565 2.663 20 0 JFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCc4nnc(COc5ccccn5)n4CC3)C2)cc1 ZINC001164688247 719686161 /nfs/dbraw/zinc/68/61/61/719686161.db2.gz YTAQSDTUYSVFSJ-UHFFFAOYSA-N 1 1 468.565 2.663 20 0 JFADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164684197 719690922 /nfs/dbraw/zinc/69/09/22/719690922.db2.gz HPTXKNAPSUCERM-KRWDZBQOSA-N 1 1 458.994 2.855 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164687454 719731947 /nfs/dbraw/zinc/73/19/47/719731947.db2.gz XPOWUFLEDOUPQR-UHFFFAOYSA-N 1 1 461.607 2.538 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164690308 719744803 /nfs/dbraw/zinc/74/48/03/719744803.db2.gz ZFRFRKPDWIAQRD-UHFFFAOYSA-N 1 1 450.921 2.918 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC3)cs1 ZINC001164692666 719811069 /nfs/dbraw/zinc/81/10/69/719811069.db2.gz QZUCRIMGJIRGKS-UHFFFAOYSA-N 1 1 477.656 2.502 20 0 JFADMO CCOc1cc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2cc1OCC ZINC001164700614 719855079 /nfs/dbraw/zinc/85/50/79/719855079.db2.gz IGSQMVWUDBYUQR-MZNJEOGPSA-N 1 1 458.559 2.660 20 0 JFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164703395 719857192 /nfs/dbraw/zinc/85/71/92/719857192.db2.gz PQZMHVBCCSTSHL-NLFFAJNJSA-N 1 1 467.545 2.851 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1C ZINC001164699242 719867320 /nfs/dbraw/zinc/86/73/20/719867320.db2.gz BCCFDRFHXXLHSM-MWTRTKDXSA-N 1 1 476.599 2.718 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164714643 720056073 /nfs/dbraw/zinc/05/60/73/720056073.db2.gz QONVPZVIIPJFLL-KZDDHRSZSA-N 1 1 450.587 2.832 20 0 JFADMO CCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164714767 720129024 /nfs/dbraw/zinc/12/90/24/720129024.db2.gz YPJGUWOSLIUKMK-QHCPKHFHSA-N 1 1 466.630 2.778 20 0 JFADMO CCc1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164714767 720129038 /nfs/dbraw/zinc/12/90/38/720129038.db2.gz YPJGUWOSLIUKMK-QHCPKHFHSA-N 1 1 466.630 2.778 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164711261 720143790 /nfs/dbraw/zinc/14/37/90/720143790.db2.gz GPODEPODOYSAOV-QFIPXVFZSA-N 1 1 480.613 2.894 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164815572 720174138 /nfs/dbraw/zinc/17/41/38/720174138.db2.gz IIHMWHLWWNVFMC-XXBNENTESA-N 1 1 450.649 2.733 20 0 JFADMO Cn1nnc2c1CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717763 720175131 /nfs/dbraw/zinc/17/51/31/720175131.db2.gz MHMYDBXCGXVRCN-SANMLTNESA-N 1 1 487.652 2.985 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815249 720207367 /nfs/dbraw/zinc/20/73/67/720207367.db2.gz XXISVHJEMCBKOM-IERDGZPVSA-N 1 1 456.418 2.805 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2c1 ZINC001164811820 720213253 /nfs/dbraw/zinc/21/32/53/720213253.db2.gz KFQOMNBGMSOZBK-UHFFFAOYSA-N 1 1 470.961 2.877 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164815440 720216126 /nfs/dbraw/zinc/21/61/26/720216126.db2.gz ZIBLAVYKKUZMNL-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nc2N1C1CCCC1 ZINC001164812181 720221564 /nfs/dbraw/zinc/22/15/64/720221564.db2.gz GFTRQSLZMKXRJB-OAQYLSRUSA-N 1 1 494.644 2.764 20 0 JFADMO COC(=O)C[C@H](c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1)C1CC1 ZINC001164814520 720234758 /nfs/dbraw/zinc/23/47/58/720234758.db2.gz WWAMFNTZCIBVPV-NRFANRHFSA-N 1 1 453.587 2.946 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817582 720276516 /nfs/dbraw/zinc/27/65/16/720276516.db2.gz DQLAZLNDBGOKDK-LSCGWGKXSA-N 1 1 494.640 2.993 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)C2)C1 ZINC001164723247 720284332 /nfs/dbraw/zinc/28/43/32/720284332.db2.gz VPJJOMRSQHDLER-HHHXNRCGSA-N 1 1 476.625 2.761 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)C2)C1 ZINC001164723247 720284344 /nfs/dbraw/zinc/28/43/44/720284344.db2.gz VPJJOMRSQHDLER-HHHXNRCGSA-N 1 1 476.625 2.761 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)n1 ZINC001164722726 720287612 /nfs/dbraw/zinc/28/76/12/720287612.db2.gz QZKHEYAOOGZHSM-RUZDIDTESA-N 1 1 488.702 2.815 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164841457 720539469 /nfs/dbraw/zinc/53/94/69/720539469.db2.gz VYJHNMWTOQPJPY-XGHQBKJUSA-N 1 1 452.559 2.932 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164841322 720592753 /nfs/dbraw/zinc/59/27/53/720592753.db2.gz RVNWTWSSACDXJN-JFIYKMOQSA-N 1 1 471.993 2.983 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840643 720600177 /nfs/dbraw/zinc/60/01/77/720600177.db2.gz QCSFIQUIQSVCPS-FDFHNCONSA-N 1 1 465.650 2.646 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC[C@@H]21 ZINC001164835558 720611659 /nfs/dbraw/zinc/61/16/59/720611659.db2.gz BFLHAQXZDFNWEX-URVUXULASA-N 1 1 473.021 2.782 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164836940 720650637 /nfs/dbraw/zinc/65/06/37/720650637.db2.gz AHXJWRHQFXXRPY-ZVXPMLRVSA-N 1 1 452.603 2.719 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164839078 720719471 /nfs/dbraw/zinc/71/94/71/720719471.db2.gz KISDCRLTYWHYOY-QFIPXVFZSA-N 1 1 465.598 2.645 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740962 720755014 /nfs/dbraw/zinc/75/50/14/720755014.db2.gz LUCIAYRTFKMPAJ-CVEARBPZSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740962 720755021 /nfs/dbraw/zinc/75/50/21/720755021.db2.gz LUCIAYRTFKMPAJ-CVEARBPZSA-N 1 1 459.888 2.869 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745350 720811519 /nfs/dbraw/zinc/81/15/19/720811519.db2.gz JZSLBWDYOYCMSU-JFIYKMOQSA-N 1 1 495.962 2.823 20 0 JFADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743229 720821556 /nfs/dbraw/zinc/82/15/56/720821556.db2.gz RLVHGRNKXLPNKV-GUDVDZBRSA-N 1 1 454.579 2.795 20 0 JFADMO COC[C@]12CCCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164850388 720827347 /nfs/dbraw/zinc/82/73/47/720827347.db2.gz SVJRFZMZJWCMPS-IATMXGELSA-N 1 1 474.646 2.902 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164743988 720828811 /nfs/dbraw/zinc/82/88/11/720828811.db2.gz SXEKLTNNZQOPFO-SXWKCWPCSA-N 1 1 461.570 2.777 20 0 JFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164747954 720835451 /nfs/dbraw/zinc/83/54/51/720835451.db2.gz SCCRPUSGPVYYKT-BHDDXSALSA-N 1 1 459.602 2.576 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(Cl)cc-2n1 ZINC001164744731 720839763 /nfs/dbraw/zinc/83/97/63/720839763.db2.gz LNGUDOORFIBQEM-GQIGUUNPSA-N 1 1 469.977 2.974 20 0 JFADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750289 720842918 /nfs/dbraw/zinc/84/29/18/720842918.db2.gz WZUPWACJUSXMKI-ZMSDIMECSA-N 1 1 453.925 2.654 20 0 JFADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750287 720843005 /nfs/dbraw/zinc/84/30/05/720843005.db2.gz WZUPWACJUSXMKI-YQQAZPJKSA-N 1 1 453.925 2.654 20 0 JFADMO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752018 720854102 /nfs/dbraw/zinc/85/41/02/720854102.db2.gz SMDFLNRQPGDJKA-RBSFLKMASA-N 1 1 460.373 2.698 20 0 JFADMO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749617 720860009 /nfs/dbraw/zinc/86/00/09/720860009.db2.gz NWJMLMAUTJJUGA-ZMSDIMECSA-N 1 1 453.925 2.654 20 0 JFADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755733 720868083 /nfs/dbraw/zinc/86/80/83/720868083.db2.gz YJLAIRNQNCEQHL-WMZHIEFXSA-N 1 1 492.045 2.684 20 0 JFADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755731 720868358 /nfs/dbraw/zinc/86/83/58/720868358.db2.gz YJLAIRNQNCEQHL-AUSIDOKSSA-N 1 1 492.045 2.684 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC[C@@H]2C1 ZINC001164864304 720879910 /nfs/dbraw/zinc/87/99/10/720879910.db2.gz VJCOTBBCMNSNPL-WBVHZDCISA-N 1 1 453.921 2.910 20 0 JFADMO COC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1N ZINC001164755220 720881880 /nfs/dbraw/zinc/88/18/80/720881880.db2.gz VDHDQZOLAQFKDC-CPJSRVTESA-N 1 1 451.571 2.601 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cn1 ZINC001164757848 720886849 /nfs/dbraw/zinc/88/68/49/720886849.db2.gz VWBZVTRTZVEKCH-BWKNWUBXSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758841 720887622 /nfs/dbraw/zinc/88/76/22/720887622.db2.gz ZVHFNWPYMFUWPX-PXDATVDWSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755349 720891206 /nfs/dbraw/zinc/89/12/06/720891206.db2.gz LDSWXHXNQOWMNA-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755347 720891343 /nfs/dbraw/zinc/89/13/43/720891343.db2.gz LDSWXHXNQOWMNA-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO CCOC(=O)Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755372 720894746 /nfs/dbraw/zinc/89/47/46/720894746.db2.gz LMWGOBMRBQLRAP-JYFHCDHNSA-N 1 1 465.598 2.732 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758850 720895029 /nfs/dbraw/zinc/89/50/29/720895029.db2.gz ZWRMJDPYTNFHJV-JIPXPUAJSA-N 1 1 488.592 2.962 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758851 720895247 /nfs/dbraw/zinc/89/52/47/720895247.db2.gz ZWRMJDPYTNFHJV-KDYSTLNUSA-N 1 1 488.592 2.962 20 0 JFADMO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164757194 720898642 /nfs/dbraw/zinc/89/86/42/720898642.db2.gz UFTMDWUGNOVBSQ-NVQXNPDNSA-N 1 1 465.598 2.732 20 0 JFADMO CON(C)C(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749965 720899556 /nfs/dbraw/zinc/89/95/56/720899556.db2.gz BFTWTGVMSFRLJR-ATIYNZHBSA-N 1 1 465.598 2.865 20 0 JFADMO COC(=O)CSc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750046 720920439 /nfs/dbraw/zinc/92/04/39/720920439.db2.gz IWEIGWSISWOTGU-BWKNWUBXSA-N 1 1 483.638 2.892 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752942 720925238 /nfs/dbraw/zinc/92/52/38/720925238.db2.gz PNNNVBGKPYHCQA-AUSIDOKSSA-N 1 1 492.045 2.533 20 0 JFADMO Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747882 720929643 /nfs/dbraw/zinc/92/96/43/720929643.db2.gz DPJQSKQWFFEPMG-DHLKQENFSA-N 1 1 460.586 2.516 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)C1 ZINC001164859695 721005608 /nfs/dbraw/zinc/00/56/08/721005608.db2.gz LKLFLHXRQDJPSF-RTBURBONSA-N 1 1 455.607 2.874 20 0 JFADMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164757406 721024302 /nfs/dbraw/zinc/02/43/02/721024302.db2.gz DYJLRRZXUFTXOR-QFIPXVFZSA-N 1 1 470.581 2.667 20 0 JFADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164864337 721035691 /nfs/dbraw/zinc/03/56/91/721035691.db2.gz YOGPQFXMPLEMJN-XMMPIXPASA-N 1 1 468.989 2.570 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867948 721048816 /nfs/dbraw/zinc/04/88/16/721048816.db2.gz LEBRBHAPWBDXSX-HZPDHXFCSA-N 1 1 467.904 2.726 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867947 721049520 /nfs/dbraw/zinc/04/95/20/721049520.db2.gz LEBRBHAPWBDXSX-HOTGVXAUSA-N 1 1 467.904 2.726 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164865573 721086980 /nfs/dbraw/zinc/08/69/80/721086980.db2.gz NCBZNZSGAXBDEO-QZNHQXDQSA-N 1 1 477.613 2.831 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864911 721087179 /nfs/dbraw/zinc/08/71/79/721087179.db2.gz HIEPJALVESZSRW-HOTGVXAUSA-N 1 1 463.991 2.903 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864913 721088179 /nfs/dbraw/zinc/08/81/79/721088179.db2.gz HIEPJALVESZSRW-JKSUJKDBSA-N 1 1 463.991 2.903 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)OCC ZINC001164866349 721089529 /nfs/dbraw/zinc/08/95/29/721089529.db2.gz SODBSDSUVWOYOL-RTBURBONSA-N 1 1 461.994 2.946 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164773215 721090598 /nfs/dbraw/zinc/09/05/98/721090598.db2.gz XHCKNGBVVHTIHY-DLBZAZTESA-N 1 1 451.953 2.967 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866365 721100292 /nfs/dbraw/zinc/10/02/92/721100292.db2.gz SSBTYLFNPWHKNA-SJORKVTESA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866362 721100586 /nfs/dbraw/zinc/10/05/86/721100586.db2.gz SSBTYLFNPWHKNA-DLBZAZTESA-N 1 1 452.889 2.941 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)nn3)CC2)cc1 ZINC001164877001 721147037 /nfs/dbraw/zinc/14/70/37/721147037.db2.gz NPKYDEKHIKQJQZ-DQEYMECFSA-N 1 1 471.609 2.678 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)nn3)CC2)cc1 ZINC001164877003 721147430 /nfs/dbraw/zinc/14/74/30/721147430.db2.gz NPKYDEKHIKQJQZ-LOSJGSFVSA-N 1 1 471.609 2.678 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ncn3)CC2)cc1 ZINC001164875527 721168083 /nfs/dbraw/zinc/16/80/83/721168083.db2.gz LUSLGFPNYPISEO-JWQCQUIFSA-N 1 1 471.609 2.678 20 0 JFADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164875312 721170660 /nfs/dbraw/zinc/17/06/60/721170660.db2.gz KUBDBZBLSFLAAM-JWQCQUIFSA-N 1 1 472.593 2.855 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@@H]3C2)cn1 ZINC001164770944 721187560 /nfs/dbraw/zinc/18/75/60/721187560.db2.gz PGMIKCRWHGRZGT-IRXDYDNUSA-N 1 1 452.563 2.997 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@H]3C2)cn1 ZINC001164773394 721212819 /nfs/dbraw/zinc/21/28/19/721212819.db2.gz WYKGXPNLFISIFE-FCHUYYIVSA-N 1 1 476.604 2.634 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4cc(F)c(F)cc4nc3Cl)CC2)C1 ZINC001164869835 721269228 /nfs/dbraw/zinc/26/92/28/721269228.db2.gz PJJDGLVQUDXJLO-UHFFFAOYSA-N 1 1 453.921 2.568 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC2)C1 ZINC001164872453 721276746 /nfs/dbraw/zinc/27/67/46/721276746.db2.gz DJYZGJCZZKIYKR-UHFFFAOYSA-N 1 1 467.948 2.835 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)C1 ZINC001164873347 721282231 /nfs/dbraw/zinc/28/22/31/721282231.db2.gz LKAWDKDMNAVYTJ-UHFFFAOYSA-N 1 1 455.937 2.768 20 0 JFADMO COC(=O)c1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2C)cc1 ZINC001164873506 721283805 /nfs/dbraw/zinc/28/38/05/721283805.db2.gz NEQPQRJFHVSPEP-UHFFFAOYSA-N 1 1 480.609 2.851 20 0 JFADMO COC(=O)c1cc2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nc2n1S(=O)(=O)c1ccccc1 ZINC001164772413 721290150 /nfs/dbraw/zinc/29/01/50/721290150.db2.gz GGELWWDMCZIQSW-UHFFFAOYSA-N 1 1 480.590 2.982 20 0 JFADMO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc2C)cc1 ZINC001164875738 721290972 /nfs/dbraw/zinc/29/09/72/721290972.db2.gz GHPGUPRPYVTDMC-UHFFFAOYSA-N 1 1 481.641 2.700 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)C1 ZINC001164876624 721293274 /nfs/dbraw/zinc/29/32/74/721293274.db2.gz KGIPKWUZUMOSLE-UHFFFAOYSA-N 1 1 456.965 2.862 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1CN1CC[C@H](CO)C1 ZINC001164770380 721293694 /nfs/dbraw/zinc/29/36/94/721293694.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 1 1 455.647 2.803 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1CN1CC[C@H](CO)C1 ZINC001164770380 721293696 /nfs/dbraw/zinc/29/36/96/721293696.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 1 1 455.647 2.803 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776456 721347257 /nfs/dbraw/zinc/34/72/57/721347257.db2.gz BRWCWAGIDMDGKJ-HSZRJFAPSA-N 1 1 477.993 2.959 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776456 721347258 /nfs/dbraw/zinc/34/72/58/721347258.db2.gz BRWCWAGIDMDGKJ-HSZRJFAPSA-N 1 1 477.993 2.959 20 0 JFADMO CCOc1ccc(C(=O)OC)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779780 721354904 /nfs/dbraw/zinc/35/49/04/721354904.db2.gz WLNDWFAVSXYCJN-XMMPIXPASA-N 1 1 458.559 2.991 20 0 JFADMO CCOc1ccc(C(=O)OC)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779780 721354909 /nfs/dbraw/zinc/35/49/09/721354909.db2.gz WLNDWFAVSXYCJN-XMMPIXPASA-N 1 1 458.559 2.991 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783062 721356546 /nfs/dbraw/zinc/35/65/46/721356546.db2.gz PBBJMVIAUCWBJR-XMMPIXPASA-N 1 1 466.542 2.535 20 0 JFADMO COCCN1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)Cc2cccnc21 ZINC001164883956 721368853 /nfs/dbraw/zinc/36/88/53/721368853.db2.gz ANRZSWFXMSJPTH-FQEVSTJZSA-N 1 1 496.656 2.748 20 0 JFADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164788369 721376825 /nfs/dbraw/zinc/37/68/25/721376825.db2.gz YSXJCGJUJWCKAR-QHCPKHFHSA-N 1 1 477.009 2.994 20 0 JFADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164788369 721376828 /nfs/dbraw/zinc/37/68/28/721376828.db2.gz YSXJCGJUJWCKAR-QHCPKHFHSA-N 1 1 477.009 2.994 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886679 721382025 /nfs/dbraw/zinc/38/20/25/721382025.db2.gz FLLTXLURETUMLC-HRFSGMKKSA-N 1 1 492.624 2.825 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164885634 721383986 /nfs/dbraw/zinc/38/39/86/721383986.db2.gz CWBQDOQEQYNVQZ-HRAATJIYSA-N 1 1 487.979 2.617 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885720 721391888 /nfs/dbraw/zinc/39/18/88/721391888.db2.gz DHBXIGNJQAJFQA-JXFKEZNVSA-N 1 1 458.985 2.506 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891984 721407803 /nfs/dbraw/zinc/40/78/03/721407803.db2.gz XTYFOUODWAGSFO-HRAATJIYSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164888903 721408161 /nfs/dbraw/zinc/40/81/61/721408161.db2.gz PDRJXAUMZUHLCP-IERDGZPVSA-N 1 1 472.964 2.832 20 0 JFADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883519 721418254 /nfs/dbraw/zinc/41/82/54/721418254.db2.gz AMGLGZVGIQSSLM-GBXCKJPGSA-N 1 1 464.054 2.982 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888358 721418282 /nfs/dbraw/zinc/41/82/82/721418282.db2.gz OKLHTCHSZSNSKL-YCRPNKLZSA-N 1 1 472.417 2.726 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888356 721418357 /nfs/dbraw/zinc/41/83/57/721418357.db2.gz OKLHTCHSZSNSKL-VFNWGFHPSA-N 1 1 472.417 2.726 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883470 721419085 /nfs/dbraw/zinc/41/90/85/721419085.db2.gz AARMKZBODPCDMS-UWJYYQICSA-N 1 1 472.964 2.832 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)O2)CC1 ZINC001164891942 721421472 /nfs/dbraw/zinc/42/14/72/721421472.db2.gz WTNCGVADMKWAOD-IIBYNOLFSA-N 1 1 466.964 2.989 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782762 721423946 /nfs/dbraw/zinc/42/39/46/721423946.db2.gz HXAYIWASIVEGSA-HDICACEKSA-N 1 1 466.592 2.693 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164782762 721423950 /nfs/dbraw/zinc/42/39/50/721423950.db2.gz HXAYIWASIVEGSA-HDICACEKSA-N 1 1 466.592 2.693 20 0 JFADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164896139 721427941 /nfs/dbraw/zinc/42/79/41/721427941.db2.gz QQRQUPYNFWFQRD-JYFHCDHNSA-N 1 1 450.631 2.975 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894386 721428519 /nfs/dbraw/zinc/42/85/19/721428519.db2.gz LXGDITUHCSZOGQ-LAUBAEHRSA-N 1 1 466.964 2.989 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164895816 721433219 /nfs/dbraw/zinc/43/32/19/721433219.db2.gz QADNONGRZHYGOK-HRAATJIYSA-N 1 1 472.964 2.832 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2)C1 ZINC001164890773 721433243 /nfs/dbraw/zinc/43/32/43/721433243.db2.gz FKESKGQBDNMMRY-JJTGBXKASA-N 1 1 455.647 2.719 20 0 JFADMO CC1CCN(C(=O)c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2)CC1 ZINC001164898589 721434064 /nfs/dbraw/zinc/43/40/64/721434064.db2.gz WEJNDIBNYVMRGZ-BVAGGSTKSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C3)O2)CC1 ZINC001164892361 721435515 /nfs/dbraw/zinc/43/55/15/721435515.db2.gz IGCBHQJTFXXQOR-RLWLMLJZSA-N 1 1 465.598 2.680 20 0 JFADMO COC(=O)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c2ccccc2c1OC ZINC001164900003 721442168 /nfs/dbraw/zinc/44/21/68/721442168.db2.gz ZYNSHKNNAADYKW-BCHFMIIMSA-N 1 1 468.598 2.795 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1OC ZINC001164899472 721444297 /nfs/dbraw/zinc/44/42/97/721444297.db2.gz YMSASMCFJLYGGN-HRFSGMKKSA-N 1 1 497.640 2.935 20 0 JFADMO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCNC3)CC2 ZINC001164785992 721453186 /nfs/dbraw/zinc/45/31/86/721453186.db2.gz LIDSBOIHBGPLFZ-GOSISDBHSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCNC3)CC2 ZINC001164785992 721453190 /nfs/dbraw/zinc/45/31/90/721453190.db2.gz LIDSBOIHBGPLFZ-GOSISDBHSA-N 1 1 450.027 2.510 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1S(C)(=O)=O)CC2 ZINC001164789260 721464918 /nfs/dbraw/zinc/46/49/18/721464918.db2.gz MAFIIFCOCZGUTA-SFHVURJKSA-N 1 1 472.051 2.872 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164788777 721469825 /nfs/dbraw/zinc/46/98/25/721469825.db2.gz KKCQXPCXFBANON-OAQYLSRUSA-N 1 1 461.676 2.764 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789436 721474089 /nfs/dbraw/zinc/47/40/89/721474089.db2.gz MTLGLFZADCCFQS-GOSISDBHSA-N 1 1 466.026 2.614 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164807224 721537589 /nfs/dbraw/zinc/53/75/89/721537589.db2.gz QPSMPGYWYXVJHK-WAOWUJCRSA-N 1 1 494.974 2.775 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164807224 721537591 /nfs/dbraw/zinc/53/75/91/721537591.db2.gz QPSMPGYWYXVJHK-WAOWUJCRSA-N 1 1 494.974 2.775 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164908782 721542950 /nfs/dbraw/zinc/54/29/50/721542950.db2.gz QNSURQQLNBTYPX-IFMALSPDSA-N 1 1 469.561 2.737 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164908787 721543551 /nfs/dbraw/zinc/54/35/51/721543551.db2.gz QNSURQQLNBTYPX-IRLDBZIGSA-N 1 1 469.561 2.737 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)C1 ZINC001164907196 721555391 /nfs/dbraw/zinc/55/53/91/721555391.db2.gz MOPGIFZBZZAAKA-SYYKKAFVSA-N 1 1 469.561 2.737 20 0 JFADMO CN(C)C(=O)[C@@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CC2 ZINC001164903565 721570235 /nfs/dbraw/zinc/57/02/35/721570235.db2.gz CPHZXGJNOKKXLG-QUCCMNQESA-N 1 1 471.646 2.575 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164801411 721571516 /nfs/dbraw/zinc/57/15/16/721571516.db2.gz GNEJZVRXJKHUJY-ZDXQCDESSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164801411 721571523 /nfs/dbraw/zinc/57/15/23/721571523.db2.gz GNEJZVRXJKHUJY-ZDXQCDESSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@H]2CCCO[C@H]12 ZINC001164809922 721572780 /nfs/dbraw/zinc/57/27/80/721572780.db2.gz YGRAPVLXYCGGNA-SCTDSRPQSA-N 1 1 451.905 2.642 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@H]2CCCO[C@H]12 ZINC001164809922 721572783 /nfs/dbraw/zinc/57/27/83/721572783.db2.gz YGRAPVLXYCGGNA-SCTDSRPQSA-N 1 1 451.905 2.642 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2C1=O ZINC001164900937 721575120 /nfs/dbraw/zinc/57/51/20/721575120.db2.gz BEZFNCNLFOYAQQ-AEFFLSMTSA-N 1 1 455.628 2.707 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C1=O ZINC001164904065 721576261 /nfs/dbraw/zinc/57/62/61/721576261.db2.gz UJMDAAUXIRNXBO-ROUUACIJSA-N 1 1 451.596 2.961 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164805027 721581056 /nfs/dbraw/zinc/58/10/56/721581056.db2.gz KBSPASBLQBNKHB-CKLTXHEASA-N 1 1 473.643 2.812 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164805027 721581058 /nfs/dbraw/zinc/58/10/58/721581058.db2.gz KBSPASBLQBNKHB-CKLTXHEASA-N 1 1 473.643 2.812 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1C(=O)OCC ZINC001164806914 721591070 /nfs/dbraw/zinc/59/10/70/721591070.db2.gz NQEPPTOTJXVSDC-GIWBLDEGSA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1C(=O)OCC ZINC001164806914 721591072 /nfs/dbraw/zinc/59/10/72/721591072.db2.gz NQEPPTOTJXVSDC-GIWBLDEGSA-N 1 1 468.554 2.698 20 0 JFADMO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCOCC1 ZINC001164799521 721596248 /nfs/dbraw/zinc/59/62/48/721596248.db2.gz MTNIKOFPLITITL-ZCNNSNEGSA-N 1 1 497.665 2.761 20 0 JFADMO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805610 721607556 /nfs/dbraw/zinc/60/75/56/721607556.db2.gz PYUIBJPPZUNXAN-ATIYNZHBSA-N 1 1 460.582 2.686 20 0 JFADMO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805610 721607557 /nfs/dbraw/zinc/60/75/57/721607557.db2.gz PYUIBJPPZUNXAN-ATIYNZHBSA-N 1 1 460.582 2.686 20 0 JFADMO NS(=O)(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904744 721698952 /nfs/dbraw/zinc/69/89/52/721698952.db2.gz GBGZKEDDAPZXRQ-SFHVURJKSA-N 1 1 457.934 2.515 20 0 JFADMO NS(=O)(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904741 721699658 /nfs/dbraw/zinc/69/96/58/721699658.db2.gz GBGZKEDDAPZXRQ-GOSISDBHSA-N 1 1 457.934 2.515 20 0 JFADMO CN1c2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N2CCC[C@@H]2C1=O ZINC001164905665 721706409 /nfs/dbraw/zinc/70/64/09/721706409.db2.gz IHEATPMMGXTNTM-WZONZLPQSA-N 1 1 469.540 2.555 20 0 JFADMO CN1c2cnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2N2CCC[C@@H]2C1=O ZINC001164909549 721755727 /nfs/dbraw/zinc/75/57/27/721755727.db2.gz HOZNVOSLUGDCMK-OAQYLSRUSA-N 1 1 459.554 2.605 20 0 JFADMO CN1c2cnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2N2CCC[C@@H]2C1=O ZINC001164909549 721755734 /nfs/dbraw/zinc/75/57/34/721755734.db2.gz HOZNVOSLUGDCMK-OAQYLSRUSA-N 1 1 459.554 2.605 20 0 JFADMO COc1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164910270 721767285 /nfs/dbraw/zinc/76/72/85/721767285.db2.gz AZPHHWSRCZCTGN-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164910270 721767288 /nfs/dbraw/zinc/76/72/88/721767288.db2.gz AZPHHWSRCZCTGN-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1C ZINC001164913304 721768342 /nfs/dbraw/zinc/76/83/42/721768342.db2.gz WADAUPSQTSVJRY-DEOSSOPVSA-N 1 1 483.594 2.679 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1C ZINC001164913304 721768348 /nfs/dbraw/zinc/76/83/48/721768348.db2.gz WADAUPSQTSVJRY-DEOSSOPVSA-N 1 1 483.594 2.679 20 0 JFADMO COc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164915148 721785209 /nfs/dbraw/zinc/78/52/09/721785209.db2.gz IPUKKOVSYYNGLU-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164915148 721785210 /nfs/dbraw/zinc/78/52/10/721785210.db2.gz IPUKKOVSYYNGLU-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164916390 721786092 /nfs/dbraw/zinc/78/60/92/721786092.db2.gz QMLZISNWFKMMCF-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164916390 721786096 /nfs/dbraw/zinc/78/60/96/721786096.db2.gz QMLZISNWFKMMCF-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO Cc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164913452 721794249 /nfs/dbraw/zinc/79/42/49/721794249.db2.gz DHKZQPXEMMXTSF-DEOSSOPVSA-N 1 1 451.596 2.991 20 0 JFADMO Cc1nc2sc3c(c2c(N2CCO[C@@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164913452 721794250 /nfs/dbraw/zinc/79/42/50/721794250.db2.gz DHKZQPXEMMXTSF-DEOSSOPVSA-N 1 1 451.596 2.991 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@H]21 ZINC001165028141 721818602 /nfs/dbraw/zinc/81/86/02/721818602.db2.gz WLAKZLQSBQFDRG-KSEOMHKRSA-N 1 1 455.628 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@@H]21 ZINC001165024679 721827586 /nfs/dbraw/zinc/82/75/86/721827586.db2.gz KYURDQIYQQCKHB-WTIAFYNJSA-N 1 1 455.628 2.998 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)n1 ZINC001164919864 721844043 /nfs/dbraw/zinc/84/40/43/721844043.db2.gz DOTMLJCQSVYCSE-MOPGFXCFSA-N 1 1 475.659 2.850 20 0 JFADMO CCOC(=O)C[C@H]1C(=O)NCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001165034178 721875423 /nfs/dbraw/zinc/87/54/23/721875423.db2.gz GPQASPMZIKRZMM-KRWDZBQOSA-N 1 1 471.627 2.814 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945726 721943630 /nfs/dbraw/zinc/94/36/30/721943630.db2.gz UNICTLCRXUOCAB-RPBOFIJWSA-N 1 1 460.582 2.729 20 0 JFADMO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164945726 721943633 /nfs/dbraw/zinc/94/36/33/721943633.db2.gz UNICTLCRXUOCAB-RPBOFIJWSA-N 1 1 460.582 2.729 20 0 JFADMO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165050541 721980575 /nfs/dbraw/zinc/98/05/75/721980575.db2.gz UURMGZRFIZCZAI-RUZDIDTESA-N 1 1 471.561 2.524 20 0 JFADMO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165050541 721980577 /nfs/dbraw/zinc/98/05/77/721980577.db2.gz UURMGZRFIZCZAI-RUZDIDTESA-N 1 1 471.561 2.524 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)c2c1C ZINC001164947285 721989468 /nfs/dbraw/zinc/98/94/68/721989468.db2.gz CHDGWZBJZQSEOF-MOPGFXCFSA-N 1 1 492.715 2.859 20 0 JFADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]32)cn1 ZINC001164956693 722030979 /nfs/dbraw/zinc/03/09/79/722030979.db2.gz IDISEGMPSSPDPE-MZKUHISZSA-N 1 1 486.620 2.645 20 0 JFADMO NC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164960455 722052184 /nfs/dbraw/zinc/05/21/84/722052184.db2.gz NXIKBOIVROPOSD-UHFFFAOYSA-N 1 1 465.932 2.893 20 0 JFADMO c1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c(N3CCOCC3)nc2c1 ZINC001164964194 722055488 /nfs/dbraw/zinc/05/54/88/722055488.db2.gz SXOFLSMPUFFZFI-UHFFFAOYSA-N 1 1 474.609 2.980 20 0 JFADMO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1C(=O)OCC ZINC001164963552 722062294 /nfs/dbraw/zinc/06/22/94/722062294.db2.gz BJSBXFOLJCVFQR-UHFFFAOYSA-N 1 1 482.581 2.949 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)c2)CC1 ZINC001164970353 722082447 /nfs/dbraw/zinc/08/24/47/722082447.db2.gz WUXGYAAEPUKXIS-ZEQRLZLVSA-N 1 1 468.573 2.948 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 ZINC001164981936 722095452 /nfs/dbraw/zinc/09/54/52/722095452.db2.gz PNAIHXUYEMTEFB-FUHWJXTLSA-N 1 1 453.616 2.983 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC(C)=O ZINC001164981151 722132379 /nfs/dbraw/zinc/13/23/79/722132379.db2.gz ORFVQPLJKBPFJL-NBGIEHNGSA-N 1 1 491.548 2.603 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164977078 722143726 /nfs/dbraw/zinc/14/37/26/722143726.db2.gz IMASQOBNICPPHI-XKCSPQBFSA-N 1 1 473.643 2.671 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ncn3)CC2)cc1 ZINC001164985411 722149765 /nfs/dbraw/zinc/14/97/65/722149765.db2.gz ZJBUFTOCLZIJCC-AZGAKELHSA-N 1 1 485.636 2.926 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971098 722153345 /nfs/dbraw/zinc/15/33/45/722153345.db2.gz AQSBOCKIYATXQA-DLBZAZTESA-N 1 1 452.937 2.863 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1N1CCOCC1 ZINC001164973179 722158966 /nfs/dbraw/zinc/15/89/66/722158966.db2.gz LRJHFYDLCRUHRF-QZTJIDSGSA-N 1 1 479.412 2.742 20 0 JFADMO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001164987875 722172973 /nfs/dbraw/zinc/17/29/73/722172973.db2.gz PFVBBLSXYMVMKO-XMMPIXPASA-N 1 1 483.576 2.575 20 0 JFADMO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001164987875 722172974 /nfs/dbraw/zinc/17/29/74/722172974.db2.gz PFVBBLSXYMVMKO-XMMPIXPASA-N 1 1 483.576 2.575 20 0 JFADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c12 ZINC001164984510 722178241 /nfs/dbraw/zinc/17/82/41/722178241.db2.gz FCFXBXNTUMIGAI-MSOLQXFVSA-N 1 1 456.572 2.769 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4ccncc4)n2)CC3)CC1 ZINC001165001062 722236844 /nfs/dbraw/zinc/23/68/44/722236844.db2.gz AJZFPYSXTZBABE-UHFFFAOYSA-N 1 1 486.958 2.884 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc(Cl)c2c1 ZINC001165001756 722238352 /nfs/dbraw/zinc/23/83/52/722238352.db2.gz LMEUFZISNMXDLZ-UHFFFAOYSA-N 1 1 489.958 2.984 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccn4)nc4sccc42)CC3)CC1 ZINC001165002318 722238938 /nfs/dbraw/zinc/23/89/38/722238938.db2.gz UGDPCYYRYKAXCI-UHFFFAOYSA-N 1 1 458.595 2.900 20 0 JFADMO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002378 722243007 /nfs/dbraw/zinc/24/30/07/722243007.db2.gz CGIQWYHCKWXGFN-ZEQKJWHPSA-N 1 1 471.605 2.956 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999827 722247253 /nfs/dbraw/zinc/24/72/53/722247253.db2.gz CTFVDGXDQHIFEA-RDGATRHJSA-N 1 1 452.603 2.921 20 0 JFADMO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001264017294 1059505329 /nfs/dbraw/zinc/50/53/29/1059505329.db2.gz JEQBPUWQKSVTCM-JIPXPUAJSA-N 1 1 473.577 2.909 20 0 JFADMO CN1C(=O)CO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccnc1 ZINC001264293556 1059562627 /nfs/dbraw/zinc/56/26/27/1059562627.db2.gz ONJLONWVLWXDAL-YADHBBJMSA-N 1 1 476.499 2.733 20 0 JFADMO Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001264708084 1059653327 /nfs/dbraw/zinc/65/33/27/1059653327.db2.gz JSZRWSLAONJDIP-GOSISDBHSA-N 1 1 458.584 2.546 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3COc4ccc(Br)cc43)cc2)CC1 ZINC001264765160 1059667118 /nfs/dbraw/zinc/66/71/18/1059667118.db2.gz MTWJLJPHTHNCJW-IBGZPJMESA-N 1 1 458.356 2.880 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3csc(CNC(=O)OC(C)(C)C)n3)cc2)CC1 ZINC001264799448 1059682307 /nfs/dbraw/zinc/68/23/07/1059682307.db2.gz DVUYPLBRZPWGEI-UHFFFAOYSA-N 1 1 459.572 2.808 20 0 JFADMO CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C(=O)OC(C)(C)C ZINC001264943073 1059734048 /nfs/dbraw/zinc/73/40/48/1059734048.db2.gz RMZAJCCSKKHYHQ-LJQANCHMSA-N 1 1 453.605 2.565 20 0 JFADMO CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C(=O)OC(C)(C)C ZINC001264943073 1059734072 /nfs/dbraw/zinc/73/40/72/1059734072.db2.gz RMZAJCCSKKHYHQ-LJQANCHMSA-N 1 1 453.605 2.565 20 0 JFADMO Cn1cc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)c2)cn1 ZINC001264943910 1059734693 /nfs/dbraw/zinc/73/46/93/1059734693.db2.gz ZEPWCMURCOVVHE-UHFFFAOYSA-N 1 1 453.568 2.666 20 0 JFADMO Cn1cc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)c2)cn1 ZINC001264943910 1059734706 /nfs/dbraw/zinc/73/47/06/1059734706.db2.gz ZEPWCMURCOVVHE-UHFFFAOYSA-N 1 1 453.568 2.666 20 0 JFADMO CC(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247644 1059806659 /nfs/dbraw/zinc/80/66/59/1059806659.db2.gz PALQDRQWCGSUSK-REWPJTCUSA-N 1 1 450.539 2.605 20 0 JFADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393741 1059840988 /nfs/dbraw/zinc/84/09/88/1059840988.db2.gz HKLBZAAMPQBDCL-PMACEKPBSA-N 1 1 458.628 2.704 20 0 JFADMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC001265404412 1059846366 /nfs/dbraw/zinc/84/63/66/1059846366.db2.gz QPVACPXHRIHVFX-RAUXBKROSA-N 1 1 451.633 2.964 20 0 JFADMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC001265404411 1059846422 /nfs/dbraw/zinc/84/64/22/1059846422.db2.gz QPVACPXHRIHVFX-QGZVKYPTSA-N 1 1 451.633 2.964 20 0 JFADMO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412349 1059849898 /nfs/dbraw/zinc/84/98/98/1059849898.db2.gz DMMKRFYTDYLTFA-JXFKEZNVSA-N 1 1 451.614 2.820 20 0 JFADMO C[N@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C2(CCCCC2)C1 ZINC001265479191 1059869144 /nfs/dbraw/zinc/86/91/44/1059869144.db2.gz DZJKYEQOSNDOJO-UHFFFAOYSA-N 1 1 455.024 2.613 20 0 JFADMO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001265581256 1059890898 /nfs/dbraw/zinc/89/08/98/1059890898.db2.gz UJHRHWCEDUXYIG-ZHRRBRCNSA-N 1 1 450.942 2.627 20 0 JFADMO CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC001265793508 1059926873 /nfs/dbraw/zinc/92/68/73/1059926873.db2.gz QAACRDCMDRKCCS-UHFFFAOYSA-N 1 1 450.583 2.870 20 0 JFADMO O=C(Cn1ncc(=O)c2ccccc21)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001266091714 1059962507 /nfs/dbraw/zinc/96/25/07/1059962507.db2.gz SSGYQESPJXLNGJ-UHFFFAOYSA-N 1 1 455.356 2.940 20 0 JFADMO CCS(=O)(=O)N1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)(c2ccccc2)CC1 ZINC001280197942 1060000957 /nfs/dbraw/zinc/00/09/57/1060000957.db2.gz ZOYFFHGKNCBWOU-HSZRJFAPSA-N 1 1 455.624 2.761 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286837020 1061091374 /nfs/dbraw/zinc/09/13/74/1061091374.db2.gz CHALWCABYCWLAO-BGYRXZFFSA-N 1 1 496.660 2.741 20 0 JFADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001286839670 1061097917 /nfs/dbraw/zinc/09/79/17/1061097917.db2.gz VKOULBMXMIKSDB-XDUQDVKTSA-N 1 1 460.648 2.912 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001286841606 1061108212 /nfs/dbraw/zinc/10/82/12/1061108212.db2.gz MSGODWKVNYXSIH-QHCPKHFHSA-N 1 1 470.618 2.968 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001286842807 1061117873 /nfs/dbraw/zinc/11/78/73/1061117873.db2.gz BQZGUAJYGLISRG-UHFFFAOYSA-N 1 1 453.635 2.833 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001286843696 1061124670 /nfs/dbraw/zinc/12/46/70/1061124670.db2.gz CONLTKMJWIHZNJ-MHZLTWQESA-N 1 1 498.672 2.803 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286847247 1061156379 /nfs/dbraw/zinc/15/63/79/1061156379.db2.gz AWBWBBNBZMASRH-FQEVSTJZSA-N 1 1 454.623 2.694 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001286850082 1061176677 /nfs/dbraw/zinc/17/66/77/1061176677.db2.gz XYMGZQCNKXOJKG-HXUWFJFHSA-N 1 1 453.566 2.849 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286850653 1061179514 /nfs/dbraw/zinc/17/95/14/1061179514.db2.gz PQZTZFODFIJQSZ-GOTSBHOMSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286851024 1061181200 /nfs/dbraw/zinc/18/12/00/1061181200.db2.gz KIAGPOMOCMZAPQ-QFIPXVFZSA-N 1 1 468.646 2.593 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286851024 1061181211 /nfs/dbraw/zinc/18/12/11/1061181211.db2.gz KIAGPOMOCMZAPQ-QFIPXVFZSA-N 1 1 468.646 2.593 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286851023 1061181315 /nfs/dbraw/zinc/18/13/15/1061181315.db2.gz KIAGPOMOCMZAPQ-JOCHJYFZSA-N 1 1 468.646 2.593 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286851023 1061181322 /nfs/dbraw/zinc/18/13/22/1061181322.db2.gz KIAGPOMOCMZAPQ-JOCHJYFZSA-N 1 1 468.646 2.593 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286852418 1061190179 /nfs/dbraw/zinc/19/01/79/1061190179.db2.gz WPANBCUVNOQJJJ-ZTCOLXNVSA-N 1 1 468.646 2.997 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001286860152 1061226274 /nfs/dbraw/zinc/22/62/74/1061226274.db2.gz MCEOJAGQIORKLW-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286861223 1061230981 /nfs/dbraw/zinc/23/09/81/1061230981.db2.gz PMFNOMOTXZZCBX-QHCPKHFHSA-N 1 1 498.672 2.971 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286861223 1061231003 /nfs/dbraw/zinc/23/10/03/1061231003.db2.gz PMFNOMOTXZZCBX-QHCPKHFHSA-N 1 1 498.672 2.971 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289587180 1061231923 /nfs/dbraw/zinc/23/19/23/1061231923.db2.gz WOAFFEGQBRLEBI-RTWAWAEBSA-N 1 1 472.634 2.944 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286862177 1061234001 /nfs/dbraw/zinc/23/40/01/1061234001.db2.gz NTPQLYGVHFDZOD-UHFFFAOYSA-N 1 1 492.571 2.716 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286862177 1061234020 /nfs/dbraw/zinc/23/40/20/1061234020.db2.gz NTPQLYGVHFDZOD-UHFFFAOYSA-N 1 1 492.571 2.716 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)o1 ZINC001289601122 1061245889 /nfs/dbraw/zinc/24/58/89/1061245889.db2.gz SZTJNCPWLSVCOG-UHFFFAOYSA-N 1 1 456.513 2.642 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)o1 ZINC001289601122 1061245907 /nfs/dbraw/zinc/24/59/07/1061245907.db2.gz SZTJNCPWLSVCOG-UHFFFAOYSA-N 1 1 456.513 2.642 20 0 JFADMO Cc1ccc(-c2nnc(N3CCO[C@H](CNC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)o1 ZINC001289606939 1061252210 /nfs/dbraw/zinc/25/22/10/1061252210.db2.gz GQZAVURFFHKWLP-GOSISDBHSA-N 1 1 471.562 2.782 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@@H]2C)CC1 ZINC001286868465 1061256978 /nfs/dbraw/zinc/25/69/78/1061256978.db2.gz AISQVDFVZKWLGA-GBXCKJPGSA-N 1 1 454.619 2.661 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC001286868647 1061258331 /nfs/dbraw/zinc/25/83/31/1061258331.db2.gz AAKXUYUBQFHFDK-REWPJTCUSA-N 1 1 454.619 2.750 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001286870481 1061265522 /nfs/dbraw/zinc/26/55/22/1061265522.db2.gz IPPCZPOCXWOCPS-QPPBQGQZSA-N 1 1 495.672 2.547 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@H]2C)CC1 ZINC001286870820 1061268242 /nfs/dbraw/zinc/26/82/42/1061268242.db2.gz KNCBXTSSONRKQR-XLIONFOSSA-N 1 1 477.057 2.505 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3OCCC3(C)C)C[C@H]2C)CC1 ZINC001286870836 1061268538 /nfs/dbraw/zinc/26/85/38/1061268538.db2.gz KUISYPHOQBLCNF-FCEUIQTBSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870893 1061268969 /nfs/dbraw/zinc/26/89/69/1061268969.db2.gz LMQYRHWLEZJRGA-AKIFATBCSA-N 1 1 476.666 2.571 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871439 1061272148 /nfs/dbraw/zinc/27/21/48/1061272148.db2.gz OFKGNHNWNAARAJ-MAUKXSAKSA-N 1 1 474.597 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@@H]2C)CC1 ZINC001286871705 1061274708 /nfs/dbraw/zinc/27/47/08/1061274708.db2.gz PDARXRGLFHPRIW-PXNSSMCTSA-N 1 1 490.603 2.631 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@@H]2C)CC1 ZINC001286871763 1061275635 /nfs/dbraw/zinc/27/56/35/1061275635.db2.gz PSZVLBKBSXQQKY-CVDCTZTESA-N 1 1 470.666 2.684 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@@H]2C)CC1 ZINC001286872199 1061277037 /nfs/dbraw/zinc/27/70/37/1061277037.db2.gz TXBPHQFIAZWGPN-URXFXBBRSA-N 1 1 490.693 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@H]2C)CC1 ZINC001286872198 1061277275 /nfs/dbraw/zinc/27/72/75/1061277275.db2.gz TXBPHQFIAZWGPN-QPPBQGQZSA-N 1 1 490.693 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@H]2C)CC1 ZINC001286872357 1061277333 /nfs/dbraw/zinc/27/73/33/1061277333.db2.gz UQCPGPWYUJLWMP-DYESRHJHSA-N 1 1 461.010 2.698 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@H]2C)CC1 ZINC001286872536 1061279102 /nfs/dbraw/zinc/27/91/02/1061279102.db2.gz WAAGZZPEMODFQN-CTNGQTDRSA-N 1 1 460.667 2.771 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001286872803 1061280972 /nfs/dbraw/zinc/28/09/72/1061280972.db2.gz YJPMGICZMGHKCR-BAGYTPMASA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001286872906 1061282542 /nfs/dbraw/zinc/28/25/42/1061282542.db2.gz VXUWMOYLAGMIPY-AQNXPRMDSA-N 1 1 488.608 2.583 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286873003 1061283827 /nfs/dbraw/zinc/28/38/27/1061283827.db2.gz ZYRXNGDGRAWCOA-WMZHIEFXSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC001286875005 1061290947 /nfs/dbraw/zinc/29/09/47/1061290947.db2.gz DUWIKGIEIXCNAJ-GOSISDBHSA-N 1 1 474.053 2.682 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286875005 1061290966 /nfs/dbraw/zinc/29/09/66/1061290966.db2.gz DUWIKGIEIXCNAJ-GOSISDBHSA-N 1 1 474.053 2.682 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286875005 1061290982 /nfs/dbraw/zinc/29/09/82/1061290982.db2.gz DUWIKGIEIXCNAJ-GOSISDBHSA-N 1 1 474.053 2.682 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286876006 1061292931 /nfs/dbraw/zinc/29/29/31/1061292931.db2.gz KIEMASPCXXXRLW-UHFFFAOYSA-N 1 1 453.978 2.794 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC001286877631 1061296104 /nfs/dbraw/zinc/29/61/04/1061296104.db2.gz YODNVPRAWQBUHR-QGZVFWFLSA-N 1 1 492.043 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286877631 1061296125 /nfs/dbraw/zinc/29/61/25/1061296125.db2.gz YODNVPRAWQBUHR-QGZVFWFLSA-N 1 1 492.043 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286877631 1061296145 /nfs/dbraw/zinc/29/61/45/1061296145.db2.gz YODNVPRAWQBUHR-QGZVFWFLSA-N 1 1 492.043 2.821 20 0 JFADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001289694442 1061306202 /nfs/dbraw/zinc/30/62/02/1061306202.db2.gz XTJQQSTWMSQOEC-UHFFFAOYSA-N 1 1 483.642 2.568 20 0 JFADMO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001289694442 1061306216 /nfs/dbraw/zinc/30/62/16/1061306216.db2.gz XTJQQSTWMSQOEC-UHFFFAOYSA-N 1 1 483.642 2.568 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)C(C)C)CC12CCCCC2 ZINC001286882708 1061310934 /nfs/dbraw/zinc/31/09/34/1061310934.db2.gz DRKOXUACODYXHC-UHFFFAOYSA-N 1 1 453.635 2.976 20 0 JFADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(-c4cnn(C)c4)n3CC[N@H+](C)C(C)C)CC2)cc1F ZINC001289700383 1061311732 /nfs/dbraw/zinc/31/17/32/1061311732.db2.gz QSNPUMKITSUMPE-UHFFFAOYSA-N 1 1 496.635 2.999 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286882944 1061312503 /nfs/dbraw/zinc/31/25/03/1061312503.db2.gz KPVISCNEMHRLDI-QFIPXVFZSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc(C(=O)NC(C)C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001289704849 1061316496 /nfs/dbraw/zinc/31/64/96/1061316496.db2.gz WSQPCLGSWGXJBC-UHFFFAOYSA-N 1 1 473.641 2.774 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H](C)C1 ZINC001286884548 1061319319 /nfs/dbraw/zinc/31/93/19/1061319319.db2.gz ULLJKTXZTUMXEH-UPVQGACJSA-N 1 1 498.672 2.888 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001286885861 1061326057 /nfs/dbraw/zinc/32/60/57/1061326057.db2.gz RDIMBAZCPRNSQP-NRFANRHFSA-N 1 1 484.645 2.642 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC001286885861 1061326077 /nfs/dbraw/zinc/32/60/77/1061326077.db2.gz RDIMBAZCPRNSQP-NRFANRHFSA-N 1 1 484.645 2.642 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001286886331 1061328662 /nfs/dbraw/zinc/32/86/62/1061328662.db2.gz ZBIHESPRCCIJAX-IBGZPJMESA-N 1 1 451.575 2.736 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCc3c(C)noc3C)C[C@H]2C)CC1 ZINC001286886479 1061329413 /nfs/dbraw/zinc/32/94/13/1061329413.db2.gz DSLDYYKMTQKYME-VGOFRKELSA-N 1 1 471.650 2.703 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886424 1061329486 /nfs/dbraw/zinc/32/94/86/1061329486.db2.gz CTQGPPFRROHNQY-PZJWPPBQSA-N 1 1 491.681 2.695 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001286886642 1061330226 /nfs/dbraw/zinc/33/02/26/1061330226.db2.gz GQNNPZJZZQAGMD-XUZZJYLKSA-N 1 1 498.672 2.624 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccncc3Cl)C[C@@H]2C)CC1 ZINC001286886780 1061331423 /nfs/dbraw/zinc/33/14/23/1061331423.db2.gz IPTKRRFPUIHMNB-LAUBAEHRSA-N 1 1 460.026 2.562 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001289725692 1061333415 /nfs/dbraw/zinc/33/34/15/1061333415.db2.gz IIXJEEXBMQNPJA-JTHBVZDNSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286887031 1061333312 /nfs/dbraw/zinc/33/33/12/1061333312.db2.gz MEOWIODYOFRZLZ-AUSIDOKSSA-N 1 1 486.636 2.812 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4c(F)cccc4F)n3CC(C)C)C[C@H]2C)CC1 ZINC001286887081 1061333434 /nfs/dbraw/zinc/33/34/34/1061333434.db2.gz MQUWBOOBGAWGOE-VGOFRKELSA-N 1 1 460.573 2.792 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC(C)C)cc3)C[C@@H]2C)CC1 ZINC001286887157 1061333814 /nfs/dbraw/zinc/33/38/14/1061333814.db2.gz OCZRJTAVKZNXDN-CYFREDJKSA-N 1 1 454.619 2.658 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(C)COC2)cc1C ZINC001289726168 1061334307 /nfs/dbraw/zinc/33/43/07/1061334307.db2.gz FQFHTDXXIANJMX-BGYRXZFFSA-N 1 1 470.618 2.729 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(C)COC2)cc1C ZINC001289726168 1061334325 /nfs/dbraw/zinc/33/43/25/1061334325.db2.gz FQFHTDXXIANJMX-BGYRXZFFSA-N 1 1 470.618 2.729 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3cccs3)C[C@H]2C)CC1 ZINC001286887215 1061334465 /nfs/dbraw/zinc/33/44/65/1061334465.db2.gz PGMSRRMRJXFXGT-BSWQBHCVSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C(C)C)C[C@@H]2C)CC1 ZINC001286887241 1061335247 /nfs/dbraw/zinc/33/52/47/1061335247.db2.gz PRBMAWUXIVALHR-PZJWPPBQSA-N 1 1 496.660 2.596 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CCc3ccccc3C(F)(F)F)C[C@H]2C)CC1 ZINC001286887507 1061336788 /nfs/dbraw/zinc/33/67/88/1061336788.db2.gz RXOOMQMKMWVQMY-IERDGZPVSA-N 1 1 464.536 2.837 20 0 JFADMO Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001289727961 1061337413 /nfs/dbraw/zinc/33/74/13/1061337413.db2.gz XEUZVDASAXDNRU-UHFFFAOYSA-N 1 1 498.657 2.902 20 0 JFADMO Cc1nnsc1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001289727961 1061337432 /nfs/dbraw/zinc/33/74/32/1061337432.db2.gz XEUZVDASAXDNRU-UHFFFAOYSA-N 1 1 498.657 2.902 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286887828 1061338787 /nfs/dbraw/zinc/33/87/87/1061338787.db2.gz UVUNBHZZSDIDCI-BEFAXECRSA-N 1 1 497.591 2.890 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001289729442 1061339882 /nfs/dbraw/zinc/33/98/82/1061339882.db2.gz OHYGQBPEPKXNPK-AZUAARDMSA-N 1 1 492.571 2.933 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286888710 1061343069 /nfs/dbraw/zinc/34/30/69/1061343069.db2.gz QCDLWIYHFMJCPC-SLFFLAALSA-N 1 1 488.608 2.553 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)cn3C)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001286889814 1061350696 /nfs/dbraw/zinc/35/06/96/1061350696.db2.gz MLBUWFMBIYPUKP-DLBZAZTESA-N 1 1 492.466 2.693 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001286889833 1061351233 /nfs/dbraw/zinc/35/12/33/1061351233.db2.gz MXXZUKVMIGHUEN-CALCHBBNSA-N 1 1 475.435 2.964 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CC(C)C)cc1C ZINC001289739669 1061353177 /nfs/dbraw/zinc/35/31/77/1061353177.db2.gz JLKUZSUVFPEFLD-UHFFFAOYSA-N 1 1 481.645 2.938 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CC(C)C)cc1C ZINC001289739669 1061353197 /nfs/dbraw/zinc/35/31/97/1061353197.db2.gz JLKUZSUVFPEFLD-UHFFFAOYSA-N 1 1 481.645 2.938 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1C ZINC001289739654 1061353277 /nfs/dbraw/zinc/35/32/77/1061353277.db2.gz JIKSSLNBJSZWNH-FCHUYYIVSA-N 1 1 470.618 2.608 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cscn2)CC1 ZINC001286890321 1061353843 /nfs/dbraw/zinc/35/38/43/1061353843.db2.gz PWFSEECFLHYABH-UHFFFAOYSA-N 1 1 491.568 2.804 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CC(C)C)cc1C ZINC001289741987 1061357865 /nfs/dbraw/zinc/35/78/65/1061357865.db2.gz YYEPJDMTFDBRTI-OAQYLSRUSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891291 1061358508 /nfs/dbraw/zinc/35/85/08/1061358508.db2.gz XHOXPOOQGRJVGB-DEOSSOPVSA-N 1 1 481.689 2.742 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001289742575 1061358779 /nfs/dbraw/zinc/35/87/79/1061358779.db2.gz CALYMTLCZYNSNA-KRWDZBQOSA-N 1 1 484.548 2.921 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001289742575 1061358798 /nfs/dbraw/zinc/35/87/98/1061358798.db2.gz CALYMTLCZYNSNA-KRWDZBQOSA-N 1 1 484.548 2.921 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286891304 1061359138 /nfs/dbraw/zinc/35/91/38/1061359138.db2.gz IASNTTGDCYWECP-UHFFFAOYSA-N 1 1 459.904 2.546 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCSCC2)cc1C ZINC001289743132 1061359525 /nfs/dbraw/zinc/35/95/25/1061359525.db2.gz JEZXIPKXPMEHKN-GOSISDBHSA-N 1 1 498.575 2.964 20 0 JFADMO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891292 1061359769 /nfs/dbraw/zinc/35/97/69/1061359769.db2.gz XHOXPOOQGRJVGB-XMMPIXPASA-N 1 1 481.689 2.742 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2CCC[N@H+](C)C2CCCCC2)cc1C ZINC001289743505 1061360530 /nfs/dbraw/zinc/36/05/30/1061360530.db2.gz PRWDVRAAZDSTOS-UHFFFAOYSA-N 1 1 467.618 2.738 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N(CCCCO)C2CC2)CC1 ZINC001286891591 1061361212 /nfs/dbraw/zinc/36/12/12/1061361212.db2.gz KVOYFCBIOMPROD-UHFFFAOYSA-N 1 1 479.000 2.643 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001286892574 1061364968 /nfs/dbraw/zinc/36/49/68/1061364968.db2.gz XJTUTCUSXRZAOH-GOSISDBHSA-N 1 1 453.566 2.784 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001289750633 1061372121 /nfs/dbraw/zinc/37/21/21/1061372121.db2.gz ITELUXMRIANLBB-NRFANRHFSA-N 1 1 483.661 2.902 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001286895218 1061374844 /nfs/dbraw/zinc/37/48/44/1061374844.db2.gz PPHPTFWJOCHYTC-NTKDMRAZSA-N 1 1 495.672 2.862 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286896331 1061379056 /nfs/dbraw/zinc/37/90/56/1061379056.db2.gz AYEXSUOKLMNPTM-BGYRXZFFSA-N 1 1 477.613 2.816 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286896331 1061379077 /nfs/dbraw/zinc/37/90/77/1061379077.db2.gz AYEXSUOKLMNPTM-BGYRXZFFSA-N 1 1 477.613 2.816 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001289769431 1061390511 /nfs/dbraw/zinc/39/05/11/1061390511.db2.gz PTACKBVQBVPQKN-HSALFYBXSA-N 1 1 486.642 2.882 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286900769 1061393262 /nfs/dbraw/zinc/39/32/62/1061393262.db2.gz LBVJTVAIGJBQTN-NFAVZRQZSA-N 1 1 456.639 2.683 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001286900893 1061393385 /nfs/dbraw/zinc/39/33/85/1061393385.db2.gz LXAHDTQYWCFTMG-XPPIMPSXSA-N 1 1 483.661 2.769 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289774570 1061396675 /nfs/dbraw/zinc/39/66/75/1061396675.db2.gz RZQLAYOOKWVTFU-VQTJNVASSA-N 1 1 463.648 2.828 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001289786167 1061410858 /nfs/dbraw/zinc/41/08/58/1061410858.db2.gz BGSXVVJQUBFYDO-UHFFFAOYSA-N 1 1 487.645 2.644 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC2(O)CCOCC2)cc1 ZINC001289786167 1061410864 /nfs/dbraw/zinc/41/08/64/1061410864.db2.gz BGSXVVJQUBFYDO-UHFFFAOYSA-N 1 1 487.645 2.644 20 0 JFADMO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792118 1061423470 /nfs/dbraw/zinc/42/34/70/1061423470.db2.gz KLWSHTCVUVGSHP-MSOLQXFVSA-N 1 1 462.545 2.528 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286906766 1061430778 /nfs/dbraw/zinc/43/07/78/1061430778.db2.gz GLZUMGLEWITZEQ-FGZHOGPDSA-N 1 1 475.037 2.940 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286907353 1061435570 /nfs/dbraw/zinc/43/55/70/1061435570.db2.gz QWDMDKMHANAPPU-OXJNMPFZSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286907353 1061435578 /nfs/dbraw/zinc/43/55/78/1061435578.db2.gz QWDMDKMHANAPPU-OXJNMPFZSA-N 1 1 491.434 2.533 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001289802709 1061439963 /nfs/dbraw/zinc/43/99/63/1061439963.db2.gz NLQABYXXTKWRRZ-RTWAWAEBSA-N 1 1 454.619 2.989 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289812942 1061463784 /nfs/dbraw/zinc/46/37/84/1061463784.db2.gz XWEGBHDUZVSCAR-TZIWHRDSSA-N 1 1 454.619 2.988 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911722 1061464794 /nfs/dbraw/zinc/46/47/94/1061464794.db2.gz KUWXQGOZGHMXGN-UKILVPOCSA-N 1 1 498.672 2.936 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286913743 1061477273 /nfs/dbraw/zinc/47/72/73/1061477273.db2.gz YCZBLNPUWNVVEX-SFTDATJTSA-N 1 1 487.649 2.717 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289819399 1061479896 /nfs/dbraw/zinc/47/98/96/1061479896.db2.gz UXZIFRFVTNVPTA-HHHXNRCGSA-N 1 1 498.672 2.707 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289819399 1061479915 /nfs/dbraw/zinc/47/99/15/1061479915.db2.gz UXZIFRFVTNVPTA-HHHXNRCGSA-N 1 1 498.672 2.707 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001286914324 1061481036 /nfs/dbraw/zinc/48/10/36/1061481036.db2.gz IPATZOLCHHLANB-FQEVSTJZSA-N 1 1 450.591 2.909 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286914989 1061489292 /nfs/dbraw/zinc/48/92/92/1061489292.db2.gz JDEGPFWLMSCRJS-GOSISDBHSA-N 1 1 467.618 2.735 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCS(C)(=O)=O)cc1 ZINC001289824419 1061490501 /nfs/dbraw/zinc/49/05/01/1061490501.db2.gz JWXWRFIBPFNPEU-LJQANCHMSA-N 1 1 461.632 2.521 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2cnn(C)c2)cc1C ZINC001289825909 1061500177 /nfs/dbraw/zinc/50/01/77/1061500177.db2.gz NAAGRWDTFVRZRM-UHFFFAOYSA-N 1 1 467.618 2.803 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001289828556 1061504172 /nfs/dbraw/zinc/50/41/72/1061504172.db2.gz PUFWRCXEIVLLBV-IBGZPJMESA-N 1 1 469.508 2.655 20 0 JFADMO Cc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001289847965 1061520939 /nfs/dbraw/zinc/52/09/39/1061520939.db2.gz ALVNXKPSCJCZOB-LJQANCHMSA-N 1 1 478.663 2.586 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)(C)C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001289854932 1061526119 /nfs/dbraw/zinc/52/61/19/1061526119.db2.gz QDQAIEYUZGBZKB-UHFFFAOYSA-N 1 1 460.648 2.561 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286926052 1061537755 /nfs/dbraw/zinc/53/77/55/1061537755.db2.gz HWMNVAXGBKFQSB-YUVXSKOASA-N 1 1 476.666 2.760 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCC(=O)N2)cc1 ZINC001289861396 1061543441 /nfs/dbraw/zinc/54/34/41/1061543441.db2.gz ULVVVELZJOGXGY-HXUWFJFHSA-N 1 1 486.686 2.952 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001289862519 1061545171 /nfs/dbraw/zinc/54/51/71/1061545171.db2.gz IKNQSRZWTZOHQA-NHCUHLMSSA-N 1 1 486.686 2.783 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001289864186 1061547586 /nfs/dbraw/zinc/54/75/86/1061547586.db2.gz VMUGOOOMMXBAOT-GOSISDBHSA-N 1 1 451.662 2.844 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289864186 1061547603 /nfs/dbraw/zinc/54/76/03/1061547603.db2.gz VMUGOOOMMXBAOT-GOSISDBHSA-N 1 1 451.662 2.844 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289868259 1061550151 /nfs/dbraw/zinc/55/01/51/1061550151.db2.gz PVCGTAOXVYBOJR-PMACEKPBSA-N 1 1 472.659 2.691 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286929636 1061551805 /nfs/dbraw/zinc/55/18/05/1061551805.db2.gz PWGYZRYWGKQOSV-QHCPKHFHSA-N 1 1 498.672 2.937 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286934757 1061570723 /nfs/dbraw/zinc/57/07/23/1061570723.db2.gz KBSQRXCHIRVAAW-BGYRXZFFSA-N 1 1 486.636 2.860 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093454 1061572247 /nfs/dbraw/zinc/57/22/47/1061572247.db2.gz DQHUFJMIIACOQX-RTWAWAEBSA-N 1 1 489.690 2.582 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(O)c2)CC[N@H+]1CCOC ZINC001294094610 1061572928 /nfs/dbraw/zinc/57/29/28/1061572928.db2.gz KNMHNSLWGLNSDU-JOCHJYFZSA-N 1 1 450.587 2.955 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001289890987 1061577070 /nfs/dbraw/zinc/57/70/70/1061577070.db2.gz ZKEGCQIASFCXQR-XJUOHMSHSA-N 1 1 484.645 2.804 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001289890987 1061577093 /nfs/dbraw/zinc/57/70/93/1061577093.db2.gz ZKEGCQIASFCXQR-XJUOHMSHSA-N 1 1 484.645 2.804 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294099282 1061579842 /nfs/dbraw/zinc/57/98/42/1061579842.db2.gz MHRIYMMFOMXLNY-AVJFOWIRSA-N 1 1 493.693 2.939 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001286940336 1061582209 /nfs/dbraw/zinc/58/22/09/1061582209.db2.gz BREUZKOCVDMOSD-KBXCAEBGSA-N 1 1 464.973 2.562 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001294103387 1061583547 /nfs/dbraw/zinc/58/35/47/1061583547.db2.gz JMVOPQHUGCTGCL-GUDVDZBRSA-N 1 1 455.694 2.915 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294104394 1061584362 /nfs/dbraw/zinc/58/43/62/1061584362.db2.gz ONRVJIFMEDGQPV-HSALFYBXSA-N 1 1 488.599 2.951 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001294104875 1061585728 /nfs/dbraw/zinc/58/57/28/1061585728.db2.gz NVTHBBDOTMMVAS-HXUWFJFHSA-N 1 1 469.634 2.726 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001294105542 1061586809 /nfs/dbraw/zinc/58/68/09/1061586809.db2.gz YQZXOQRLMUDHHD-NHCUHLMSSA-N 1 1 457.623 2.576 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001289901946 1061588171 /nfs/dbraw/zinc/58/81/71/1061588171.db2.gz NQNUGVFYMXFXLL-NRFANRHFSA-N 1 1 495.672 2.865 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001289902381 1061588589 /nfs/dbraw/zinc/58/85/89/1061588589.db2.gz QRQSWXHUBJFDOU-OAQYLSRUSA-N 1 1 484.645 2.975 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001289902381 1061588608 /nfs/dbraw/zinc/58/86/08/1061588608.db2.gz QRQSWXHUBJFDOU-OAQYLSRUSA-N 1 1 484.645 2.975 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294106562 1061589697 /nfs/dbraw/zinc/58/96/97/1061589697.db2.gz PHUJHZLGXLVEHT-FQEVSTJZSA-N 1 1 476.666 2.558 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294106562 1061589720 /nfs/dbraw/zinc/58/97/20/1061589720.db2.gz PHUJHZLGXLVEHT-FQEVSTJZSA-N 1 1 476.666 2.558 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001289909556 1061599595 /nfs/dbraw/zinc/59/95/95/1061599595.db2.gz QMVGNZQEGHSRRX-NSHGMRRFSA-N 1 1 462.664 2.886 20 0 JFADMO CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294120769 1061601226 /nfs/dbraw/zinc/60/12/26/1061601226.db2.gz NKMGTDRCAIQYTM-WIYYLYMNSA-N 1 1 461.632 2.696 20 0 JFADMO CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294120767 1061601230 /nfs/dbraw/zinc/60/12/30/1061601230.db2.gz NKMGTDRCAIQYTM-NQIIRXRSSA-N 1 1 461.632 2.696 20 0 JFADMO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294121417 1061602181 /nfs/dbraw/zinc/60/21/81/1061602181.db2.gz WSXCQPDHNFLRIE-JOCHJYFZSA-N 1 1 470.618 2.895 20 0 JFADMO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001294137341 1061621675 /nfs/dbraw/zinc/62/16/75/1061621675.db2.gz LYQHQDSKDSIXLC-IRLDBZIGSA-N 1 1 490.674 2.512 20 0 JFADMO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001294140233 1061627468 /nfs/dbraw/zinc/62/74/68/1061627468.db2.gz ZOONUJOCVKIKTF-AZUAARDMSA-N 1 1 496.703 2.746 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286946151 1061631077 /nfs/dbraw/zinc/63/10/77/1061631077.db2.gz JSBHQQDCVUGIGE-NHCICSSKSA-N 1 1 468.646 2.639 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948670 1061661625 /nfs/dbraw/zinc/66/16/25/1061661625.db2.gz ZYPLIZPXZTXWSQ-FBLLAGFSSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001286949760 1061674424 /nfs/dbraw/zinc/67/44/24/1061674424.db2.gz OHCVQIJXHQDZHU-UHFFFAOYSA-N 1 1 450.591 2.782 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001289972289 1061679889 /nfs/dbraw/zinc/67/98/89/1061679889.db2.gz JSEIBXNRROLQSF-AZUAARDMSA-N 1 1 460.648 2.784 20 0 JFADMO CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001286951836 1061692337 /nfs/dbraw/zinc/69/23/37/1061692337.db2.gz FRPHMRZJNNLDAZ-OYRHEFFESA-N 1 1 485.652 2.529 20 0 JFADMO CN(CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001294188729 1061697455 /nfs/dbraw/zinc/69/74/55/1061697455.db2.gz FKTRGVJTAYLGNV-HXUWFJFHSA-N 1 1 454.596 2.580 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978928 1061699369 /nfs/dbraw/zinc/69/93/69/1061699369.db2.gz HWUPCJQGUSOIKO-NVQXNPDNSA-N 1 1 483.661 2.579 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978925 1061699512 /nfs/dbraw/zinc/69/95/12/1061699512.db2.gz HWUPCJQGUSOIKO-GJZUVCINSA-N 1 1 483.661 2.579 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCN(C)CC(F)(F)F)n1 ZINC001289983699 1061706607 /nfs/dbraw/zinc/70/66/07/1061706607.db2.gz RGURZNWSOMQGLQ-GOSISDBHSA-N 1 1 481.567 2.832 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCOCC(F)F)n1 ZINC001289985075 1061708617 /nfs/dbraw/zinc/70/86/17/1061708617.db2.gz FZYMIVPOLKUXFR-BGYRXZFFSA-N 1 1 477.604 2.925 20 0 JFADMO CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001286955505 1061709833 /nfs/dbraw/zinc/70/98/33/1061709833.db2.gz ZKZMGKINZMIVKK-HHHXNRCGSA-N 1 1 498.672 2.982 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286955867 1061711710 /nfs/dbraw/zinc/71/17/10/1061711710.db2.gz YHWOCCPECGATNX-GOSISDBHSA-N 1 1 485.658 2.517 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001294209831 1061713310 /nfs/dbraw/zinc/71/33/10/1061713310.db2.gz BCUMYCQNHGJVKA-UHFFFAOYSA-N 1 1 463.577 2.753 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1 ZINC001294210666 1061715883 /nfs/dbraw/zinc/71/58/83/1061715883.db2.gz MOAXHGIXBQPZEN-SFHVURJKSA-N 1 1 459.344 2.941 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286957956 1061722772 /nfs/dbraw/zinc/72/27/72/1061722772.db2.gz HIZWVWGGBIVESE-UHFFFAOYSA-N 1 1 483.642 2.655 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOCC1(C)C ZINC001286957956 1061722791 /nfs/dbraw/zinc/72/27/91/1061722791.db2.gz HIZWVWGGBIVESE-UHFFFAOYSA-N 1 1 483.642 2.655 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294215855 1061724700 /nfs/dbraw/zinc/72/47/00/1061724700.db2.gz VZTBHRHMWLUMRT-MRXNPFEDSA-N 1 1 480.455 2.835 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294216280 1061725513 /nfs/dbraw/zinc/72/55/13/1061725513.db2.gz YVIHCBYRTKFMSO-UHFFFAOYSA-N 1 1 474.009 2.851 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217419 1061729027 /nfs/dbraw/zinc/72/90/27/1061729027.db2.gz HABHAYBUPLPLJU-SQJMNOBHSA-N 1 1 497.688 2.674 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294217470 1061729125 /nfs/dbraw/zinc/72/91/25/1061729125.db2.gz IYRVESIVLMSQNB-UHFFFAOYSA-N 1 1 474.009 2.851 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001294218458 1061729572 /nfs/dbraw/zinc/72/95/72/1061729572.db2.gz RBGLVQGQMQDUEZ-FQEVSTJZSA-N 1 1 455.563 2.955 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294219391 1061730262 /nfs/dbraw/zinc/73/02/62/1061730262.db2.gz YJVGXQHEHWUPLY-QUCCMNQESA-N 1 1 459.547 2.808 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294223124 1061733432 /nfs/dbraw/zinc/73/34/32/1061733432.db2.gz BUZQYRUGKPVNSE-JOCHJYFZSA-N 1 1 470.618 2.920 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001294223695 1061733668 /nfs/dbraw/zinc/73/36/68/1061733668.db2.gz JAYJJTAAYUOQSU-HSZRJFAPSA-N 1 1 472.682 2.924 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294223767 1061734234 /nfs/dbraw/zinc/73/42/34/1061734234.db2.gz KIRZWLXBXPAEGJ-UHFFFAOYSA-N 1 1 489.621 2.795 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001294224193 1061734594 /nfs/dbraw/zinc/73/45/94/1061734594.db2.gz PVYJZHQSCWELPL-KRWDZBQOSA-N 1 1 455.632 2.866 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224413 1061735038 /nfs/dbraw/zinc/73/50/38/1061735038.db2.gz SZJMKUDMTDFWLW-FPOVZHCZSA-N 1 1 472.638 2.649 20 0 JFADMO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC001290010607 1061735119 /nfs/dbraw/zinc/73/51/19/1061735119.db2.gz UWRVJMFFQGPRLC-UHFFFAOYSA-N 1 1 467.662 2.947 20 0 JFADMO Cc1cccc(CCCn2c(CC(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC001290010607 1061735143 /nfs/dbraw/zinc/73/51/43/1061735143.db2.gz UWRVJMFFQGPRLC-UHFFFAOYSA-N 1 1 467.662 2.947 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294225064 1061735815 /nfs/dbraw/zinc/73/58/15/1061735815.db2.gz ACAKUQGSOOUKAL-DFBJGRDBSA-N 1 1 491.681 2.826 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294225308 1061736410 /nfs/dbraw/zinc/73/64/10/1061736410.db2.gz BZWYECHVCOCCIA-RBUKOAKNSA-N 1 1 450.628 2.960 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001294225716 1061737512 /nfs/dbraw/zinc/73/75/12/1061737512.db2.gz GTDUORCNFJKLSL-MOPGFXCFSA-N 1 1 466.627 2.544 20 0 JFADMO CCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226273 1061738907 /nfs/dbraw/zinc/73/89/07/1061738907.db2.gz RNNJPIOOIDLVKY-XZOQPEGZSA-N 1 1 494.750 2.860 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001294228066 1061742175 /nfs/dbraw/zinc/74/21/75/1061742175.db2.gz ACISRGQNNHBQRI-UHFFFAOYSA-N 1 1 489.690 2.696 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294228425 1061743232 /nfs/dbraw/zinc/74/32/32/1061743232.db2.gz FHFRPFHHXXPQNU-IPMKNSEASA-N 1 1 455.669 2.552 20 0 JFADMO Cc1cccc(CCn2c(CC(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC001290022339 1061743806 /nfs/dbraw/zinc/74/38/06/1061743806.db2.gz OZWHWWOOYSKGDE-UHFFFAOYSA-N 1 1 453.635 2.557 20 0 JFADMO Cc1cccc(CCn2c(CC(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC001290022339 1061743837 /nfs/dbraw/zinc/74/38/37/1061743837.db2.gz OZWHWWOOYSKGDE-UHFFFAOYSA-N 1 1 453.635 2.557 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294229249 1061745897 /nfs/dbraw/zinc/74/58/97/1061745897.db2.gz WVKJRJKCCYAUNW-XMMPIXPASA-N 1 1 456.591 2.640 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001294230073 1061747004 /nfs/dbraw/zinc/74/70/04/1061747004.db2.gz UVOLJEWZEGMMQT-LJQANCHMSA-N 1 1 470.588 2.944 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001290033219 1061749730 /nfs/dbraw/zinc/74/97/30/1061749730.db2.gz DWGFYFVDGWHTEY-UUWRZZSWSA-N 1 1 486.686 2.692 20 0 JFADMO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290037182 1061753156 /nfs/dbraw/zinc/75/31/56/1061753156.db2.gz GFXCVHVJRXHKFA-SZPZYZBQSA-N 1 1 483.661 2.551 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1 ZINC001286973468 1061762214 /nfs/dbraw/zinc/76/22/14/1061762214.db2.gz RQCGIMJJHRJDIY-HUUCEWRRSA-N 1 1 487.468 2.779 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCNC(=O)C(C)C)c1 ZINC001290058022 1061777850 /nfs/dbraw/zinc/77/78/50/1061777850.db2.gz BPOZVSMGASBDDI-AREMUKBSSA-N 1 1 484.645 2.629 20 0 JFADMO CCCCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294295819 1061781131 /nfs/dbraw/zinc/78/11/31/1061781131.db2.gz DLSUQBUXKDDNSR-RUZDIDTESA-N 1 1 476.666 2.501 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001286976331 1061783186 /nfs/dbraw/zinc/78/31/86/1061783186.db2.gz DEIRSKQUWCELBO-WSTZPKSXSA-N 1 1 475.663 2.790 20 0 JFADMO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c(C)n1 ZINC001294296895 1061784448 /nfs/dbraw/zinc/78/44/48/1061784448.db2.gz CTJVSLWYQJSZQZ-LJQANCHMSA-N 1 1 454.623 2.794 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290064432 1061788879 /nfs/dbraw/zinc/78/88/79/1061788879.db2.gz QRXMPOUSEZQXPL-NRFANRHFSA-N 1 1 484.645 2.629 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001290069385 1061793823 /nfs/dbraw/zinc/79/38/23/1061793823.db2.gz HQZQSTJLWVWAQE-JOCHJYFZSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290070440 1061795881 /nfs/dbraw/zinc/79/58/81/1061795881.db2.gz CWRHZKCSBKPPSY-FQEVSTJZSA-N 1 1 451.575 2.853 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294308301 1061795829 /nfs/dbraw/zinc/79/58/29/1061795829.db2.gz PXSPBNBEJYDXCJ-OAQYLSRUSA-N 1 1 498.676 2.508 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294308429 1061796068 /nfs/dbraw/zinc/79/60/68/1061796068.db2.gz KPSWJBGCYMFQNN-XZOQPEGZSA-N 1 1 453.635 2.590 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001294308581 1061796562 /nfs/dbraw/zinc/79/65/62/1061796562.db2.gz SCVLSGAPCJBXRP-PZJWPPBQSA-N 1 1 473.666 2.566 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294309199 1061798500 /nfs/dbraw/zinc/79/85/00/1061798500.db2.gz SLPPSFMIBZEHIJ-HSALFYBXSA-N 1 1 459.591 2.861 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286978550 1061799480 /nfs/dbraw/zinc/79/94/80/1061799480.db2.gz VVFPAKSOSGPYKF-DXIQSLLYSA-N 1 1 489.686 2.877 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001286978550 1061799501 /nfs/dbraw/zinc/79/95/01/1061799501.db2.gz VVFPAKSOSGPYKF-DXIQSLLYSA-N 1 1 489.686 2.877 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294310197 1061800973 /nfs/dbraw/zinc/80/09/73/1061800973.db2.gz FXDBXQBWDPVABV-HSZRJFAPSA-N 1 1 495.672 2.773 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294311501 1061801510 /nfs/dbraw/zinc/80/15/10/1061801510.db2.gz MWDPYIALYKIHRU-KCZVDYSFSA-N 1 1 470.618 2.663 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC001294311697 1061802406 /nfs/dbraw/zinc/80/24/06/1061802406.db2.gz NUGNNXMUMCOTIB-HBMCJLEFSA-N 1 1 473.666 2.769 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286978909 1061802343 /nfs/dbraw/zinc/80/23/43/1061802343.db2.gz XCKDBGOYEIGSCB-TXTKFYIRSA-N 1 1 489.686 2.878 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286978909 1061802372 /nfs/dbraw/zinc/80/23/72/1061802372.db2.gz XCKDBGOYEIGSCB-TXTKFYIRSA-N 1 1 489.686 2.878 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312056 1061803241 /nfs/dbraw/zinc/80/32/41/1061803241.db2.gz SPQAPLOAKCKUAM-FQEVSTJZSA-N 1 1 452.669 2.576 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001294313356 1061805292 /nfs/dbraw/zinc/80/52/92/1061805292.db2.gz BYFILZYHEFWUPT-NJDAHSKKSA-N 1 1 482.695 2.502 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294313760 1061805931 /nfs/dbraw/zinc/80/59/31/1061805931.db2.gz DVEYFNLHPRDODU-FGZHOGPDSA-N 1 1 474.675 2.932 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294315575 1061807427 /nfs/dbraw/zinc/80/74/27/1061807427.db2.gz BYAQUUQMZUNULW-OAQYLSRUSA-N 1 1 476.666 2.890 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294315662 1061808494 /nfs/dbraw/zinc/80/84/94/1061808494.db2.gz CKWOWZNAHCNKKY-JTHBVZDNSA-N 1 1 484.645 2.771 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294316299 1061809990 /nfs/dbraw/zinc/80/99/90/1061809990.db2.gz FGFUFSNKTSLROW-UXHICEINSA-N 1 1 455.669 2.873 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294317294 1061813758 /nfs/dbraw/zinc/81/37/58/1061813758.db2.gz KPEFYBFRRAHQJB-UUOWRZLLSA-N 1 1 487.674 2.626 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001294317696 1061814858 /nfs/dbraw/zinc/81/48/58/1061814858.db2.gz XVXCHYUHDWBNGF-CBPXPLCBSA-N 1 1 496.722 2.890 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294318971 1061820214 /nfs/dbraw/zinc/82/02/14/1061820214.db2.gz XPELATLUQKFFJR-YADHBBJMSA-N 1 1 487.693 2.796 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294319415 1061821879 /nfs/dbraw/zinc/82/18/79/1061821879.db2.gz ZIUZISXVZREZMK-BPYKYCOYSA-N 1 1 476.666 2.640 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001286983016 1061831764 /nfs/dbraw/zinc/83/17/64/1061831764.db2.gz VBDSWOWOQQOBIZ-MBOZVWFJSA-N 1 1 484.066 2.703 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286983017 1061831868 /nfs/dbraw/zinc/83/18/68/1061831868.db2.gz WUEGSLXAPNDUIB-UHFFFAOYSA-N 1 1 460.667 2.816 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286983017 1061831892 /nfs/dbraw/zinc/83/18/92/1061831892.db2.gz WUEGSLXAPNDUIB-UHFFFAOYSA-N 1 1 460.667 2.816 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001290104656 1061833891 /nfs/dbraw/zinc/83/38/91/1061833891.db2.gz ZBPVRDRWFAJNFC-GOSISDBHSA-N 1 1 460.648 2.596 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294326082 1061834864 /nfs/dbraw/zinc/83/48/64/1061834864.db2.gz PNHJGBUTBFAVQA-PMACEKPBSA-N 1 1 471.650 2.905 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294326082 1061834880 /nfs/dbraw/zinc/83/48/80/1061834880.db2.gz PNHJGBUTBFAVQA-PMACEKPBSA-N 1 1 471.650 2.905 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCN1CCOC[C@H]1C ZINC001290107952 1061835595 /nfs/dbraw/zinc/83/55/95/1061835595.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 1 1 456.635 2.521 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCN1CCOC[C@H]1C ZINC001290107952 1061835619 /nfs/dbraw/zinc/83/56/19/1061835619.db2.gz WHKSODGZAPHXHP-OAQYLSRUSA-N 1 1 456.635 2.521 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001294327801 1061843742 /nfs/dbraw/zinc/84/37/42/1061843742.db2.gz XIZFMXGBIBSDNT-SLFFLAALSA-N 1 1 454.623 2.741 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001290123184 1061852609 /nfs/dbraw/zinc/85/26/09/1061852609.db2.gz CZUWDBKHXZDECH-HXUWFJFHSA-N 1 1 474.675 2.988 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294331867 1061855731 /nfs/dbraw/zinc/85/57/31/1061855731.db2.gz HDUXAQRZWHAZTC-VBANMALSSA-N 1 1 482.673 2.651 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131206 1061865171 /nfs/dbraw/zinc/86/51/71/1061865171.db2.gz DSLHHZMFISWQFC-ZBFHGGJFSA-N 1 1 455.386 2.723 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001294338568 1061879832 /nfs/dbraw/zinc/87/98/32/1061879832.db2.gz VMPYOMODOVGUEH-NRFANRHFSA-N 1 1 461.699 2.736 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294340930 1061886135 /nfs/dbraw/zinc/88/61/35/1061886135.db2.gz AULCZKIIEPGRBG-NJDAHSKKSA-N 1 1 468.650 2.988 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001286991254 1061890105 /nfs/dbraw/zinc/89/01/05/1061890105.db2.gz SFHJABJULQQOKY-QFIPXVFZSA-N 1 1 498.672 2.560 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001294341773 1061890829 /nfs/dbraw/zinc/89/08/29/1061890829.db2.gz JZVAMEUGQYSRPE-FPOVZHCZSA-N 1 1 456.639 2.686 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290151181 1061892613 /nfs/dbraw/zinc/89/26/13/1061892613.db2.gz NEJVQUBBGOYPSD-HSZRJFAPSA-N 1 1 476.629 2.546 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)N1CCOCC1 ZINC001290153692 1061895072 /nfs/dbraw/zinc/89/50/72/1061895072.db2.gz VAWDWLCPXLZPTK-ZRZAMGCNSA-N 1 1 484.689 2.834 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)N1CCOCC1 ZINC001290153692 1061895098 /nfs/dbraw/zinc/89/50/98/1061895098.db2.gz VAWDWLCPXLZPTK-ZRZAMGCNSA-N 1 1 484.689 2.834 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001290166828 1061910293 /nfs/dbraw/zinc/91/02/93/1061910293.db2.gz LBPRUGKSSHWTIE-FGZHOGPDSA-N 1 1 488.702 2.769 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290175358 1061922648 /nfs/dbraw/zinc/92/26/48/1061922648.db2.gz YRMZCSWEIPFBEH-QHCPKHFHSA-N 1 1 495.716 2.896 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290175358 1061922670 /nfs/dbraw/zinc/92/26/70/1061922670.db2.gz YRMZCSWEIPFBEH-QHCPKHFHSA-N 1 1 495.716 2.896 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290175358 1061922687 /nfs/dbraw/zinc/92/26/87/1061922687.db2.gz YRMZCSWEIPFBEH-QHCPKHFHSA-N 1 1 495.716 2.896 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290176418 1061924307 /nfs/dbraw/zinc/92/43/07/1061924307.db2.gz JTJQLOQAXWLJFN-UHFFFAOYSA-N 1 1 462.589 2.675 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294358848 1061929988 /nfs/dbraw/zinc/92/99/88/1061929988.db2.gz RXLVAMWXFKUALJ-XMMPIXPASA-N 1 1 475.037 2.798 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294359166 1061930406 /nfs/dbraw/zinc/93/04/06/1061930406.db2.gz SQHISKHBQPVKAJ-UHFFFAOYSA-N 1 1 469.634 2.584 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294359166 1061930424 /nfs/dbraw/zinc/93/04/24/1061930424.db2.gz SQHISKHBQPVKAJ-UHFFFAOYSA-N 1 1 469.634 2.584 20 0 JFADMO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001290197444 1061938293 /nfs/dbraw/zinc/93/82/93/1061938293.db2.gz SMVDPCYZEHIOJG-XIFFEERXSA-N 1 1 467.643 2.913 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287019628 1061958472 /nfs/dbraw/zinc/95/84/72/1061958472.db2.gz ATAHNODGDZMCCY-UHFFFAOYSA-N 1 1 490.678 2.684 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287019628 1061958492 /nfs/dbraw/zinc/95/84/92/1061958492.db2.gz ATAHNODGDZMCCY-UHFFFAOYSA-N 1 1 490.678 2.684 20 0 JFADMO CCCCOCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294390137 1061960305 /nfs/dbraw/zinc/96/03/05/1061960305.db2.gz PVQLWILRNMITLN-PUHATCMVSA-N 1 1 476.666 2.715 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287025345 1061969104 /nfs/dbraw/zinc/96/91/04/1061969104.db2.gz JQPOAXUZKXYBPN-BWKNWUBXSA-N 1 1 459.610 2.951 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287025355 1061969253 /nfs/dbraw/zinc/96/92/53/1061969253.db2.gz JQPOAXUZKXYBPN-SQJMNOBHSA-N 1 1 459.610 2.951 20 0 JFADMO CC1=CCN(c2nnc(CCOc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001290265585 1061996206 /nfs/dbraw/zinc/99/62/06/1061996206.db2.gz YMSIVBJCPYJFGI-QHCPKHFHSA-N 1 1 466.630 2.999 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCCCO1 ZINC001287034565 1061997445 /nfs/dbraw/zinc/99/74/45/1061997445.db2.gz PLGYNBBLPQEDQC-JTHBVZDNSA-N 1 1 471.646 2.998 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454419 1062000005 /nfs/dbraw/zinc/00/00/05/1062000005.db2.gz QYAGGQPYYQKONA-PMACEKPBSA-N 1 1 491.681 2.986 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 ZINC001294454110 1062000163 /nfs/dbraw/zinc/00/01/63/1062000163.db2.gz NWWUMIAZLPAZIS-LJQANCHMSA-N 1 1 470.618 2.748 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2CC)C1 ZINC001294454685 1062000683 /nfs/dbraw/zinc/00/06/83/1062000683.db2.gz AZKXEWXXKIBZEH-INIZCTEOSA-N 1 1 490.454 2.874 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294456120 1062003625 /nfs/dbraw/zinc/00/36/25/1062003625.db2.gz IBPYIYLEZVZVFT-OAHLLOKOSA-N 1 1 499.479 2.781 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001287037433 1062003921 /nfs/dbraw/zinc/00/39/21/1062003921.db2.gz OUMLKDNOCYWRIX-GOSISDBHSA-N 1 1 458.573 2.662 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001287037433 1062003944 /nfs/dbraw/zinc/00/39/44/1062003944.db2.gz OUMLKDNOCYWRIX-GOSISDBHSA-N 1 1 458.573 2.662 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)C1 ZINC001294458017 1062005553 /nfs/dbraw/zinc/00/55/53/1062005553.db2.gz PGMZVFUUTXHLKH-HXUWFJFHSA-N 1 1 475.659 2.943 20 0 JFADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001290278363 1062007136 /nfs/dbraw/zinc/00/71/36/1062007136.db2.gz HMRUZIBQDFRVRR-SFHVURJKSA-N 1 1 456.620 2.566 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2C)C1 ZINC001294460013 1062007716 /nfs/dbraw/zinc/00/77/16/1062007716.db2.gz ADWSWRUKSIJAEF-MRXNPFEDSA-N 1 1 458.998 2.952 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294461108 1062009616 /nfs/dbraw/zinc/00/96/16/1062009616.db2.gz ROURTHCWPWVHRG-RBUKOAKNSA-N 1 1 461.632 2.557 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294461935 1062011712 /nfs/dbraw/zinc/01/17/12/1062011712.db2.gz FWAFPNGNGYCCFY-OAQYLSRUSA-N 1 1 455.651 2.927 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001287042236 1062011646 /nfs/dbraw/zinc/01/16/46/1062011646.db2.gz FYVVTGDWPMGWLN-GOSISDBHSA-N 1 1 485.599 2.814 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294461784 1062011937 /nfs/dbraw/zinc/01/19/37/1062011937.db2.gz DQSZURHGLJMHAO-FQEVSTJZSA-N 1 1 483.642 2.549 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001287042352 1062012192 /nfs/dbraw/zinc/01/21/92/1062012192.db2.gz KBNDEEOWHAVTEU-UHFFFAOYSA-N 1 1 458.582 2.677 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(F)F)CC1 ZINC001287042364 1062012290 /nfs/dbraw/zinc/01/22/90/1062012290.db2.gz KOZCTFLTBONFDN-UHFFFAOYSA-N 1 1 489.575 2.903 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294463067 1062013258 /nfs/dbraw/zinc/01/32/58/1062013258.db2.gz OIBDHQFLWYFDTB-RTBURBONSA-N 1 1 461.632 2.557 20 0 JFADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287043079 1062014099 /nfs/dbraw/zinc/01/40/99/1062014099.db2.gz NTQYAJBICNTHMP-OAHLLOKOSA-N 1 1 499.479 2.781 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465985 1062014736 /nfs/dbraw/zinc/01/47/36/1062014736.db2.gz AIOXZKZHQGWMQV-PKTZIBPZSA-N 1 1 489.686 2.933 20 0 JFADMO Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001290286804 1062015735 /nfs/dbraw/zinc/01/57/35/1062015735.db2.gz BMVMUMUGSCCNEL-NHCUHLMSSA-N 1 1 473.666 2.949 20 0 JFADMO Cc1cnn(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001290286804 1062015757 /nfs/dbraw/zinc/01/57/57/1062015757.db2.gz BMVMUMUGSCCNEL-NHCUHLMSSA-N 1 1 473.666 2.949 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468737 1062018776 /nfs/dbraw/zinc/01/87/76/1062018776.db2.gz PBPAVIWDRMKTDY-RTWAWAEBSA-N 1 1 462.639 2.819 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469076 1062020906 /nfs/dbraw/zinc/02/09/06/1062020906.db2.gz UICNOLMJQXBMMH-FGZHOGPDSA-N 1 1 459.660 2.899 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001294469411 1062021833 /nfs/dbraw/zinc/02/18/33/1062021833.db2.gz YSSAAYYLSWZIIF-WZOHSFFVSA-N 1 1 494.681 2.916 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294469723 1062022910 /nfs/dbraw/zinc/02/29/10/1062022910.db2.gz GBSQKETZZDJDKV-RBUKOAKNSA-N 1 1 479.622 2.599 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001294469671 1062023109 /nfs/dbraw/zinc/02/31/09/1062023109.db2.gz DWPINEDLKZETFZ-JXQFQVJHSA-N 1 1 474.675 2.989 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001294469670 1062023204 /nfs/dbraw/zinc/02/32/04/1062023204.db2.gz DWPINEDLKZETFZ-IMWIBFENSA-N 1 1 474.675 2.989 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)C1 ZINC001294469924 1062023462 /nfs/dbraw/zinc/02/34/62/1062023462.db2.gz ILMJTXDHHYYRIZ-NJYVYQBISA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)C1 ZINC001294469926 1062023506 /nfs/dbraw/zinc/02/35/06/1062023506.db2.gz IMDOMSTVWXJGLI-LJQANCHMSA-N 1 1 484.674 2.836 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001287045662 1062024812 /nfs/dbraw/zinc/02/48/12/1062024812.db2.gz LTLUELTYCRTJMS-FQEVSTJZSA-N 1 1 460.648 2.542 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCOCC2)C1 ZINC001294470824 1062025133 /nfs/dbraw/zinc/02/51/33/1062025133.db2.gz NINNBCANDULBTC-PWRODBHTSA-N 1 1 463.667 2.906 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294470915 1062025624 /nfs/dbraw/zinc/02/56/24/1062025624.db2.gz FQDOZJAQPJJCKW-NRFANRHFSA-N 1 1 469.634 2.910 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294474158 1062027058 /nfs/dbraw/zinc/02/70/58/1062027058.db2.gz NLKRJIBAEHIHRJ-QZTJIDSGSA-N 1 1 481.613 2.750 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476082 1062028385 /nfs/dbraw/zinc/02/83/85/1062028385.db2.gz YZHRGRKHWUHJAL-FPOVZHCZSA-N 1 1 495.594 2.695 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476079 1062028434 /nfs/dbraw/zinc/02/84/34/1062028434.db2.gz YZHRGRKHWUHJAL-CTNGQTDRSA-N 1 1 495.594 2.695 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCCc3ccccc3)n2CCCn2cc(CO)nn2)CC1 ZINC001287046572 1062029411 /nfs/dbraw/zinc/02/94/11/1062029411.db2.gz UQGJGPMYMBJEFO-UHFFFAOYSA-N 1 1 480.661 2.938 20 0 JFADMO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001294481211 1062031416 /nfs/dbraw/zinc/03/14/16/1062031416.db2.gz YODJQHXCIPTIAI-SFHVURJKSA-N 1 1 471.631 2.891 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287047539 1062032798 /nfs/dbraw/zinc/03/27/98/1062032798.db2.gz IYSHCEMGMTXSMQ-LJQANCHMSA-N 1 1 458.582 2.976 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001294504567 1062039866 /nfs/dbraw/zinc/03/98/66/1062039866.db2.gz BIUOZDHNNYIILB-UHFFFAOYSA-N 1 1 453.635 2.963 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 ZINC001294505166 1062040286 /nfs/dbraw/zinc/04/02/86/1062040286.db2.gz HSGXKAHNUHQAAZ-UHFFFAOYSA-N 1 1 473.647 2.760 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001294505199 1062040485 /nfs/dbraw/zinc/04/04/85/1062040485.db2.gz IITYATBBGOFOMB-HXUWFJFHSA-N 1 1 462.561 2.678 20 0 JFADMO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC001290317206 1062040340 /nfs/dbraw/zinc/04/03/40/1062040340.db2.gz DDGHVWHIQKVVFY-PMACEKPBSA-N 1 1 489.690 2.922 20 0 JFADMO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC=CCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001287049075 1062041608 /nfs/dbraw/zinc/04/16/08/1062041608.db2.gz JBJKQTGTXBDLQF-FQEVSTJZSA-N 1 1 460.623 2.881 20 0 JFADMO C[N@@H+](CCCNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318948 1062043076 /nfs/dbraw/zinc/04/30/76/1062043076.db2.gz RZNCGATVGMCBAJ-HKBQPEDESA-N 1 1 451.633 2.773 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294506203 1062043807 /nfs/dbraw/zinc/04/38/07/1062043807.db2.gz HWYSMHXZFCRKJH-CVEARBPZSA-N 1 1 467.368 2.882 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294506275 1062043939 /nfs/dbraw/zinc/04/39/39/1062043939.db2.gz IUHRHKYQVURBIA-UHFFFAOYSA-N 1 1 462.042 2.541 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(N3CC[N@@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049741 1062044443 /nfs/dbraw/zinc/04/44/43/1062044443.db2.gz VGYCGKBBOHOOBQ-RBUKOAKNSA-N 1 1 462.639 2.744 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(N3CC[N@H+]4CCOC[C@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049741 1062044466 /nfs/dbraw/zinc/04/44/66/1062044466.db2.gz VGYCGKBBOHOOBQ-RBUKOAKNSA-N 1 1 462.639 2.744 20 0 JFADMO CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287050462 1062047468 /nfs/dbraw/zinc/04/74/68/1062047468.db2.gz LXZCTTIOWCPBHS-UHFFFAOYSA-N 1 1 489.690 2.671 20 0 JFADMO CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287050462 1062047485 /nfs/dbraw/zinc/04/74/85/1062047485.db2.gz LXZCTTIOWCPBHS-UHFFFAOYSA-N 1 1 489.690 2.671 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001294513085 1062047510 /nfs/dbraw/zinc/04/75/10/1062047510.db2.gz AETMCFCWJKRAPH-UHFFFAOYSA-N 1 1 452.607 2.999 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001294516206 1062052809 /nfs/dbraw/zinc/05/28/09/1062052809.db2.gz OFLZMIOEALAAHJ-LJQANCHMSA-N 1 1 477.654 2.702 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001294516224 1062053226 /nfs/dbraw/zinc/05/32/26/1062053226.db2.gz OZRPYDASBYNDTA-JOCHJYFZSA-N 1 1 481.645 2.668 20 0 JFADMO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053483 /nfs/dbraw/zinc/05/34/83/1062053483.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 1 1 453.635 2.672 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053502 /nfs/dbraw/zinc/05/35/02/1062053502.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 1 1 453.635 2.672 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294518868 1062054294 /nfs/dbraw/zinc/05/42/94/1062054294.db2.gz AYLVTWZIIHIXNK-VQTJNVASSA-N 1 1 491.681 2.791 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518942 1062054803 /nfs/dbraw/zinc/05/48/03/1062054803.db2.gz CNAIPZZOCPPQCB-JOCHJYFZSA-N 1 1 491.658 2.926 20 0 JFADMO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294519357 1062054994 /nfs/dbraw/zinc/05/49/94/1062054994.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 1 1 469.682 2.714 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294519357 1062055018 /nfs/dbraw/zinc/05/50/18/1062055018.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 1 1 469.682 2.714 20 0 JFADMO CCC[N@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294519358 1062055346 /nfs/dbraw/zinc/05/53/46/1062055346.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 1 1 469.682 2.714 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001294519358 1062055368 /nfs/dbraw/zinc/05/53/68/1062055368.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 1 1 469.682 2.714 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001294520909 1062056694 /nfs/dbraw/zinc/05/66/94/1062056694.db2.gz BKPXJPQSUSTZSG-HXUWFJFHSA-N 1 1 470.618 2.753 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 ZINC001294521458 1062057209 /nfs/dbraw/zinc/05/72/09/1062057209.db2.gz NIOUXXCJQLWWHJ-LJQANCHMSA-N 1 1 489.621 2.869 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294523048 1062059251 /nfs/dbraw/zinc/05/92/51/1062059251.db2.gz QIFCTYLMRKWEGS-UHFFFAOYSA-N 1 1 450.635 2.969 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294524799 1062061729 /nfs/dbraw/zinc/06/17/29/1062061729.db2.gz RCTWGEZIBZWQJV-URXFXBBRSA-N 1 1 467.662 2.666 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524800 1062061823 /nfs/dbraw/zinc/06/18/23/1062061823.db2.gz RCTWGEZIBZWQJV-XUZZJYLKSA-N 1 1 467.662 2.666 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294526216 1062062573 /nfs/dbraw/zinc/06/25/73/1062062573.db2.gz UGEIWIRUOZBGNR-UHFFFAOYSA-N 1 1 456.591 2.710 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294527988 1062063814 /nfs/dbraw/zinc/06/38/14/1062063814.db2.gz RIRBBMXMCBAWKL-DEOSSOPVSA-N 1 1 456.591 2.928 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294527848 1062063914 /nfs/dbraw/zinc/06/39/14/1062063914.db2.gz QBKUJRYDMVXQAA-HXUWFJFHSA-N 1 1 458.632 2.636 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001294529161 1062065619 /nfs/dbraw/zinc/06/56/19/1062065619.db2.gz HSMQTYXIWFNBLK-SFTDATJTSA-N 1 1 497.706 2.672 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001294529572 1062066247 /nfs/dbraw/zinc/06/62/47/1062066247.db2.gz NFBORGVNDAWAKV-OAQYLSRUSA-N 1 1 494.637 2.512 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001290355251 1062067495 /nfs/dbraw/zinc/06/74/95/1062067495.db2.gz YYQRYOIQODIYIO-IEBWSBKVSA-N 1 1 474.679 2.628 20 0 JFADMO CC[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530360 1062067562 /nfs/dbraw/zinc/06/75/62/1062067562.db2.gz DNQLUTNOEIPGSB-SFTDATJTSA-N 1 1 454.962 2.789 20 0 JFADMO CC[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530360 1062067573 /nfs/dbraw/zinc/06/75/73/1062067573.db2.gz DNQLUTNOEIPGSB-SFTDATJTSA-N 1 1 454.962 2.789 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287056257 1062075420 /nfs/dbraw/zinc/07/54/20/1062075420.db2.gz APYJIPRYJBVMAM-LEWJYISDSA-N 1 1 485.633 2.680 20 0 JFADMO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001294552320 1062076528 /nfs/dbraw/zinc/07/65/28/1062076528.db2.gz DSMACFMBJGLQIS-RPWUZVMVSA-N 1 1 455.624 2.905 20 0 JFADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372389 1062076694 /nfs/dbraw/zinc/07/66/94/1062076694.db2.gz MHEPTDZWSXKZBE-DLBZAZTESA-N 1 1 454.017 2.945 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287058919 1062087739 /nfs/dbraw/zinc/08/77/39/1062087739.db2.gz OMOQZGOMCMIXCQ-IBGZPJMESA-N 1 1 464.655 2.916 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001287059190 1062088076 /nfs/dbraw/zinc/08/80/76/1062088076.db2.gz DGEDQVHXQBHHPG-TZIWHRDSSA-N 1 1 492.665 2.512 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC001290388368 1062091923 /nfs/dbraw/zinc/09/19/23/1062091923.db2.gz KINIARRQINFNET-UHFFFAOYSA-N 1 1 479.614 2.532 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCC3CCOCC3)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001290400654 1062103138 /nfs/dbraw/zinc/10/31/38/1062103138.db2.gz HZNLEVPXIRLMPM-UHFFFAOYSA-N 1 1 462.664 2.998 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCC2)cs1 ZINC001290400614 1062103223 /nfs/dbraw/zinc/10/32/23/1062103223.db2.gz HCUHTRHOSHUAHK-UHFFFAOYSA-N 1 1 462.664 2.876 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(O)CCCCC2)cs1 ZINC001290400614 1062103231 /nfs/dbraw/zinc/10/32/31/1062103231.db2.gz HCUHTRHOSHUAHK-UHFFFAOYSA-N 1 1 462.664 2.876 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cccc(CO)c2)cs1 ZINC001290401339 1062105424 /nfs/dbraw/zinc/10/54/24/1062105424.db2.gz OANLRXIQPUDCHG-UHFFFAOYSA-N 1 1 470.643 2.721 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cccc(CO)c2)cs1 ZINC001290401339 1062105434 /nfs/dbraw/zinc/10/54/34/1062105434.db2.gz OANLRXIQPUDCHG-UHFFFAOYSA-N 1 1 470.643 2.721 20 0 JFADMO CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294602344 1062112477 /nfs/dbraw/zinc/11/24/77/1062112477.db2.gz MLDQRPTUXVKXAW-GOSISDBHSA-N 1 1 491.434 2.869 20 0 JFADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)CC2CC2)cc1 ZINC001290415435 1062135497 /nfs/dbraw/zinc/13/54/97/1062135497.db2.gz FNWSVXIYIIUSBF-UHFFFAOYSA-N 1 1 455.624 2.808 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001287065559 1062137270 /nfs/dbraw/zinc/13/72/70/1062137270.db2.gz DTJNEGSIXUCVBR-FQEVSTJZSA-N 1 1 460.623 2.928 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001290416386 1062137874 /nfs/dbraw/zinc/13/78/74/1062137874.db2.gz SRMZYXBNYJJWQT-ZRBLBEILSA-N 1 1 456.631 2.814 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC001294632459 1062140138 /nfs/dbraw/zinc/14/01/38/1062140138.db2.gz IUUQGHYCVPQDIN-YADHBBJMSA-N 1 1 495.672 2.795 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC001294634357 1062145204 /nfs/dbraw/zinc/14/52/04/1062145204.db2.gz SUFODTJGLWSZOJ-QFIPXVFZSA-N 1 1 495.672 2.809 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294637460 1062150282 /nfs/dbraw/zinc/15/02/82/1062150282.db2.gz ILPTWXFMMQHCOV-MRXNPFEDSA-N 1 1 471.997 2.681 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@H](c3ccsc3)C2)C1 ZINC001294637621 1062152066 /nfs/dbraw/zinc/15/20/66/1062152066.db2.gz LKGFOCUHJZHKRM-LXZJYRNTSA-N 1 1 496.703 2.648 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC001294639330 1062154140 /nfs/dbraw/zinc/15/41/40/1062154140.db2.gz SJTJDPPPBDOSLO-NRSPTQNISA-N 1 1 492.665 2.828 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294640512 1062157497 /nfs/dbraw/zinc/15/74/97/1062157497.db2.gz AXYSZPWSLHCNCC-QYZOEREBSA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)CCS(C)(=O)=O)C1 ZINC001294641890 1062163965 /nfs/dbraw/zinc/16/39/65/1062163965.db2.gz QIQCVTYQECKKIO-HNNXBMFYSA-N 1 1 487.468 2.639 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001294642894 1062166322 /nfs/dbraw/zinc/16/63/22/1062166322.db2.gz WQTPTPLKWLIUBR-BTYIYWSLSA-N 1 1 478.439 2.730 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnn(CCO)c3-c3ccccc3)C2)cc(OC)c1 ZINC001294644693 1062170716 /nfs/dbraw/zinc/17/07/16/1062170716.db2.gz DSTFXWYIQGHWAZ-FQEVSTJZSA-N 1 1 450.539 2.564 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cnn(CCO)c3-c3ccccc3)C2)cc(OC)c1 ZINC001294644693 1062170723 /nfs/dbraw/zinc/17/07/23/1062170723.db2.gz DSTFXWYIQGHWAZ-FQEVSTJZSA-N 1 1 450.539 2.564 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)C2)cc(OC)c1 ZINC001294646161 1062175172 /nfs/dbraw/zinc/17/51/72/1062175172.db2.gz QVZRDEODUHRBIY-IBGZPJMESA-N 1 1 454.527 2.625 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)C2)cc(OC)c1 ZINC001294646161 1062175189 /nfs/dbraw/zinc/17/51/89/1062175189.db2.gz QVZRDEODUHRBIY-IBGZPJMESA-N 1 1 454.527 2.625 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287068873 1062175341 /nfs/dbraw/zinc/17/53/41/1062175341.db2.gz RASVPZXJCYOVIH-HSZRJFAPSA-N 1 1 492.024 2.819 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646625 1062177419 /nfs/dbraw/zinc/17/74/19/1062177419.db2.gz XEYNMDUIXBPYLP-PZJWPPBQSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646625 1062177431 /nfs/dbraw/zinc/17/74/31/1062177431.db2.gz XEYNMDUIXBPYLP-PZJWPPBQSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)cc(OC)c1 ZINC001294646824 1062178619 /nfs/dbraw/zinc/17/86/19/1062178619.db2.gz ZNCRPNNWBCBFAR-OAHLLOKOSA-N 1 1 452.477 2.799 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)cc(OC)c1 ZINC001294646824 1062178630 /nfs/dbraw/zinc/17/86/30/1062178630.db2.gz ZNCRPNNWBCBFAR-OAHLLOKOSA-N 1 1 452.477 2.799 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294647241 1062181739 /nfs/dbraw/zinc/18/17/39/1062181739.db2.gz RQMOCRKFBLQIOJ-INIZCTEOSA-N 1 1 463.989 2.931 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294647191 1062181848 /nfs/dbraw/zinc/18/18/48/1062181848.db2.gz DBWQMGMZJJKKRR-RTWAWAEBSA-N 1 1 474.675 2.751 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647772 1062183572 /nfs/dbraw/zinc/18/35/72/1062183572.db2.gz FXPRTDACQLFPKT-IBGZPJMESA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294647859 1062184783 /nfs/dbraw/zinc/18/47/83/1062184783.db2.gz GWEUOBWSKOPLIC-AWEZNQCLSA-N 1 1 488.477 2.736 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294648463 1062186947 /nfs/dbraw/zinc/18/69/47/1062186947.db2.gz RFTXCOBJDFZERJ-UXHICEINSA-N 1 1 485.633 2.802 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294650228 1062194480 /nfs/dbraw/zinc/19/44/80/1062194480.db2.gz IKMGGNHBZQNOTK-KRWDZBQOSA-N 1 1 467.540 2.900 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](OC)C2)C1 ZINC001294651684 1062197989 /nfs/dbraw/zinc/19/79/89/1062197989.db2.gz ZXUMYXDRTIXMMM-PKOBYXMFSA-N 1 1 459.591 2.928 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001294655885 1062200936 /nfs/dbraw/zinc/20/09/36/1062200936.db2.gz DDXDKLJRJYEYNK-OKZBNKHCSA-N 1 1 466.677 2.609 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655884 1062201212 /nfs/dbraw/zinc/20/12/12/1062201212.db2.gz DDXDKLJRJYEYNK-FGTMMUONSA-N 1 1 466.677 2.609 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656836 1062201913 /nfs/dbraw/zinc/20/19/13/1062201913.db2.gz IJQIMPHSKGDSQH-MOPGFXCFSA-N 1 1 456.591 2.615 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294657909 1062202517 /nfs/dbraw/zinc/20/25/17/1062202517.db2.gz NZKWQMYVEWGVGZ-LJQANCHMSA-N 1 1 466.696 2.918 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294657773 1062202565 /nfs/dbraw/zinc/20/25/65/1062202565.db2.gz LNZVYRRVMAVNEG-WCIQWLHISA-N 1 1 462.639 2.863 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287072936 1062209788 /nfs/dbraw/zinc/20/97/88/1062209788.db2.gz DOQIPDROKCILOK-FQEVSTJZSA-N 1 1 453.591 2.629 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440868 1062210989 /nfs/dbraw/zinc/21/09/89/1062210989.db2.gz YMRCIEVLQUABKZ-APWZRJJASA-N 1 1 477.704 2.518 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC001294661343 1062211522 /nfs/dbraw/zinc/21/15/22/1062211522.db2.gz LFVDGDMOAXLEMG-NRFANRHFSA-N 1 1 456.610 2.993 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294661108 1062211805 /nfs/dbraw/zinc/21/18/05/1062211805.db2.gz ITECOJSIUZCDKR-SFTDATJTSA-N 1 1 492.665 2.506 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294661542 1062212380 /nfs/dbraw/zinc/21/23/80/1062212380.db2.gz QHPOAJCGXMAURD-RBBKRZOGSA-N 1 1 475.037 2.596 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001294666353 1062219152 /nfs/dbraw/zinc/21/91/52/1062219152.db2.gz CVZNDFSRFLYEFO-SFHVURJKSA-N 1 1 460.554 2.617 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294666816 1062220479 /nfs/dbraw/zinc/22/04/79/1062220479.db2.gz LNNUDBZKWQCSOJ-IBGZPJMESA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294666817 1062220610 /nfs/dbraw/zinc/22/06/10/1062220610.db2.gz LNNUDBZKWQCSOJ-LJQANCHMSA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294667289 1062221201 /nfs/dbraw/zinc/22/12/01/1062221201.db2.gz WSMCQKQEBXEZCC-CJFMBICVSA-N 1 1 454.619 2.908 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667537 1062222275 /nfs/dbraw/zinc/22/22/75/1062222275.db2.gz APCIEFTWTNFPNS-FCHUYYIVSA-N 1 1 459.660 2.809 20 0 JFADMO Cc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cs1 ZINC001290447864 1062224722 /nfs/dbraw/zinc/22/47/22/1062224722.db2.gz LVUIWUCYGLHHEF-OAQYLSRUSA-N 1 1 461.680 2.640 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)C1 ZINC001294669366 1062225357 /nfs/dbraw/zinc/22/53/57/1062225357.db2.gz IXPDYHFCBFVJHB-LJQANCHMSA-N 1 1 454.619 2.976 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294670301 1062227362 /nfs/dbraw/zinc/22/73/62/1062227362.db2.gz RGJSOQRNZGRDEW-NHCUHLMSSA-N 1 1 454.619 2.873 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294670300 1062227397 /nfs/dbraw/zinc/22/73/97/1062227397.db2.gz RGJSOQRNZGRDEW-LEWJYISDSA-N 1 1 454.619 2.873 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294672104 1062231512 /nfs/dbraw/zinc/23/15/12/1062231512.db2.gz YJLJFYLCASGMGE-IFMALSPDSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1n[nH]c(CCn2c(-c3ccccc3F)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC001290454434 1062232092 /nfs/dbraw/zinc/23/20/92/1062232092.db2.gz PJGKJPSZJXPZQG-UHFFFAOYSA-N 1 1 496.513 2.844 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001294674671 1062234245 /nfs/dbraw/zinc/23/42/45/1062234245.db2.gz LZSWEORHYGYNER-XDNAFOTISA-N 1 1 461.529 2.502 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001294683609 1062243103 /nfs/dbraw/zinc/24/31/03/1062243103.db2.gz JYPFZPULYXZWPZ-PMACEKPBSA-N 1 1 459.664 2.904 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 ZINC001294684662 1062245255 /nfs/dbraw/zinc/24/52/55/1062245255.db2.gz WIFVQZCTNYCRBU-HXUWFJFHSA-N 1 1 480.723 2.755 20 0 JFADMO CC(C)(C)OCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287083614 1062245361 /nfs/dbraw/zinc/24/53/61/1062245361.db2.gz ZGPAXWLGCPQJOU-IBGZPJMESA-N 1 1 461.582 2.970 20 0 JFADMO Cc1nc(CCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001290463809 1062247577 /nfs/dbraw/zinc/24/75/77/1062247577.db2.gz UPGKTXPYVPWQOJ-UHFFFAOYSA-N 1 1 455.632 2.819 20 0 JFADMO Cc1nc(CCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001290463809 1062247604 /nfs/dbraw/zinc/24/76/04/1062247604.db2.gz UPGKTXPYVPWQOJ-UHFFFAOYSA-N 1 1 455.632 2.819 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001294694490 1062254835 /nfs/dbraw/zinc/25/48/35/1062254835.db2.gz UPCXCXUCZUVBMK-VQTJNVASSA-N 1 1 456.639 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001294694694 1062255318 /nfs/dbraw/zinc/25/53/18/1062255318.db2.gz LMKINDCTDOMJTG-PIBDYAPNSA-N 1 1 476.666 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001294696346 1062257838 /nfs/dbraw/zinc/25/78/38/1062257838.db2.gz QTYRYLQFUVJQAJ-LNRXMEIDSA-N 1 1 496.722 2.796 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294697094 1062258738 /nfs/dbraw/zinc/25/87/38/1062258738.db2.gz SZEJONBUMARNFV-MZYLBHOOSA-N 1 1 459.683 2.655 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294698076 1062260217 /nfs/dbraw/zinc/26/02/17/1062260217.db2.gz WQHZATVJTAZRLO-ROMRWMGNSA-N 1 1 459.639 2.871 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294699504 1062263525 /nfs/dbraw/zinc/26/35/25/1062263525.db2.gz PYJYZNUTMSIUDB-OAQYLSRUSA-N 1 1 484.645 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001294700211 1062264823 /nfs/dbraw/zinc/26/48/23/1062264823.db2.gz VOBJQBMTCGOVPQ-IFMALSPDSA-N 1 1 489.690 2.712 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001294700398 1062265865 /nfs/dbraw/zinc/26/58/65/1062265865.db2.gz SEPKCLCLVATTBE-QUCCMNQESA-N 1 1 470.618 2.799 20 0 JFADMO CC(C)(Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287087626 1062268809 /nfs/dbraw/zinc/26/88/09/1062268809.db2.gz IZWFDNPJWDFGLX-NRFANRHFSA-N 1 1 470.540 2.914 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294707199 1062270990 /nfs/dbraw/zinc/27/09/90/1062270990.db2.gz FEVDWRLQGIEFSU-PZJWPPBQSA-N 1 1 454.619 2.809 20 0 JFADMO Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC001290482171 1062271817 /nfs/dbraw/zinc/27/18/17/1062271817.db2.gz GIYKLLSMJUNSSY-OAQYLSRUSA-N 1 1 482.658 2.608 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294708015 1062272637 /nfs/dbraw/zinc/27/26/37/1062272637.db2.gz PTOAKOZXUJMEIW-NHCUHLMSSA-N 1 1 463.623 2.896 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294707878 1062272740 /nfs/dbraw/zinc/27/27/40/1062272740.db2.gz BTAWIJKFIBSYRC-PLXFJCCSSA-N 1 1 490.693 2.936 20 0 JFADMO CC(C)(Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287089343 1062275575 /nfs/dbraw/zinc/27/55/75/1062275575.db2.gz ZGJRLDXYTMSBHW-GOSISDBHSA-N 1 1 468.524 2.999 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708887 1062276092 /nfs/dbraw/zinc/27/60/92/1062276092.db2.gz SMQYPJUZHFMSKO-UNMCSNQZSA-N 1 1 496.722 2.687 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001294710787 1062278908 /nfs/dbraw/zinc/27/89/08/1062278908.db2.gz MHZKQXAZTLBCRK-FQEVSTJZSA-N 1 1 486.646 2.937 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294712599 1062282724 /nfs/dbraw/zinc/28/27/24/1062282724.db2.gz UPCMXPFUIZUBCR-UYAOXDASSA-N 1 1 487.674 2.591 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294712706 1062283721 /nfs/dbraw/zinc/28/37/21/1062283721.db2.gz STRWRMIJTHHSFX-VAMGGRTRSA-N 1 1 453.653 2.798 20 0 JFADMO CCCN1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cc[nH+]c2C)CC1=O ZINC001294713054 1062285039 /nfs/dbraw/zinc/28/50/39/1062285039.db2.gz WMPHNBHWRYSGEC-UHFFFAOYSA-N 1 1 499.019 2.515 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294713388 1062285452 /nfs/dbraw/zinc/28/54/52/1062285452.db2.gz VTRGGFPRIHCHAC-REHUZNOOSA-N 1 1 463.623 2.584 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294713167 1062285700 /nfs/dbraw/zinc/28/57/00/1062285700.db2.gz UQBKWPFTQHNFRF-KAOXLYBCSA-N 1 1 490.693 2.803 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294713610 1062286869 /nfs/dbraw/zinc/28/68/69/1062286869.db2.gz ZSSVJJXFEFKPAC-PMACEKPBSA-N 1 1 489.665 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294713612 1062287179 /nfs/dbraw/zinc/28/71/79/1062287179.db2.gz ZSSVJJXFEFKPAC-VQTJNVASSA-N 1 1 489.665 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294713626 1062287759 /nfs/dbraw/zinc/28/77/59/1062287759.db2.gz ZVJCKRSSLVCNCR-FQEVSTJZSA-N 1 1 459.664 2.957 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294713729 1062288249 /nfs/dbraw/zinc/28/82/49/1062288249.db2.gz ZRBAUSCPEPXHJW-PXDATVDWSA-N 1 1 476.666 2.642 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287092571 1062288993 /nfs/dbraw/zinc/28/89/93/1062288993.db2.gz IOZJCWPNJYRPDM-NRFANRHFSA-N 1 1 484.645 2.887 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(CCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287092571 1062289013 /nfs/dbraw/zinc/28/90/13/1062289013.db2.gz IOZJCWPNJYRPDM-NRFANRHFSA-N 1 1 484.645 2.887 20 0 JFADMO Cc1ncc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290498831 1062290177 /nfs/dbraw/zinc/29/01/77/1062290177.db2.gz XLHYRYCBKBXEBL-UHFFFAOYSA-N 1 1 497.673 2.743 20 0 JFADMO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001294720124 1062294281 /nfs/dbraw/zinc/29/42/81/1062294281.db2.gz IKZHYECSHWWOLW-RLWLMLJZSA-N 1 1 490.693 2.888 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001290503319 1062298526 /nfs/dbraw/zinc/29/85/26/1062298526.db2.gz GGXMOFIKVLFZHH-YSIASYRMSA-N 1 1 463.652 2.890 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001290503948 1062299712 /nfs/dbraw/zinc/29/97/12/1062299712.db2.gz NMIMRUXCMKWECJ-CQSZACIVSA-N 1 1 475.541 2.572 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001290503753 1062300128 /nfs/dbraw/zinc/30/01/28/1062300128.db2.gz KGBVFWIYDUNERE-LJQANCHMSA-N 1 1 453.595 2.519 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N(C)Cc2ncnn2CC(F)F)cn1 ZINC001290504311 1062301282 /nfs/dbraw/zinc/30/12/82/1062301282.db2.gz RUXZIVGQJOVMID-UHFFFAOYSA-N 1 1 470.532 2.907 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC(C)C)C(C)C)cn1 ZINC001290504108 1062301324 /nfs/dbraw/zinc/30/13/24/1062301324.db2.gz QXCIHBKHWUULTF-HXUWFJFHSA-N 1 1 471.631 2.988 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(N3CCC(S(C)(=O)=O)CC3)nnc2C(C)(C)C)cn1 ZINC001290504617 1062302049 /nfs/dbraw/zinc/30/20/49/1062302049.db2.gz WMIVURQVSHZZOX-UHFFFAOYSA-N 1 1 457.604 2.526 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290505982 1062302362 /nfs/dbraw/zinc/30/23/62/1062302362.db2.gz DVPCWHYLIIINDZ-AWEZNQCLSA-N 1 1 475.395 2.688 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001290506011 1062303320 /nfs/dbraw/zinc/30/33/20/1062303320.db2.gz FXTIVRNELMJJQZ-UTKZUKDTSA-N 1 1 483.539 2.744 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294724631 1062305090 /nfs/dbraw/zinc/30/50/90/1062305090.db2.gz SNEKWICTFNUTOS-NRFANRHFSA-N 1 1 454.619 2.895 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC001294724580 1062305288 /nfs/dbraw/zinc/30/52/88/1062305288.db2.gz QQCBQNWEWLVTCB-UHFFFAOYSA-N 1 1 467.662 2.728 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1=O ZINC001294724580 1062305313 /nfs/dbraw/zinc/30/53/13/1062305313.db2.gz QQCBQNWEWLVTCB-UHFFFAOYSA-N 1 1 467.662 2.728 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1=O ZINC001294724580 1062305333 /nfs/dbraw/zinc/30/53/33/1062305333.db2.gz QQCBQNWEWLVTCB-UHFFFAOYSA-N 1 1 467.662 2.728 20 0 JFADMO CC(C)(O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287098416 1062305498 /nfs/dbraw/zinc/30/54/98/1062305498.db2.gz IODSAKQQFSEEKH-HSALFYBXSA-N 1 1 492.665 2.511 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001290507820 1062305928 /nfs/dbraw/zinc/30/59/28/1062305928.db2.gz RNXVASOFQVBNPA-KRWDZBQOSA-N 1 1 476.507 2.830 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001290507821 1062305970 /nfs/dbraw/zinc/30/59/70/1062305970.db2.gz RNXVASOFQVBNPA-QGZVFWFLSA-N 1 1 476.507 2.830 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001290510586 1062308263 /nfs/dbraw/zinc/30/82/63/1062308263.db2.gz DQVQXNPCXDDAJY-KDOFPFPSSA-N 1 1 462.396 2.848 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(F)cccc1Cl ZINC001290511084 1062308735 /nfs/dbraw/zinc/30/87/35/1062308735.db2.gz LURMATCCMACIDU-AWEZNQCLSA-N 1 1 484.001 2.912 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001290511188 1062309355 /nfs/dbraw/zinc/30/93/55/1062309355.db2.gz MZXYKUCGRVSXLM-RXVVDRJESA-N 1 1 486.646 2.564 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001290511302 1062310411 /nfs/dbraw/zinc/31/04/11/1062310411.db2.gz QIZCVCCSMKBKOS-IFMALSPDSA-N 1 1 470.666 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001290511357 1062310632 /nfs/dbraw/zinc/31/06/32/1062310632.db2.gz RSZABDDXVSDFLY-HNNXBMFYSA-N 1 1 475.395 2.723 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001290511387 1062310904 /nfs/dbraw/zinc/31/09/04/1062310904.db2.gz SUZYAHVBVPNEOR-GJYPPUQNSA-N 1 1 493.659 2.511 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC(=O)NC(C)C ZINC001290511460 1062310953 /nfs/dbraw/zinc/31/09/53/1062310953.db2.gz VWXUGHHPOUXXIU-UHFFFAOYSA-N 1 1 463.384 2.592 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001290511527 1062311667 /nfs/dbraw/zinc/31/16/67/1062311667.db2.gz YEZYENHAQLVQED-GOSISDBHSA-N 1 1 469.594 2.902 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1=O ZINC001294733027 1062314493 /nfs/dbraw/zinc/31/44/93/1062314493.db2.gz JYOPKBNJDOLWJM-VXKWHMMOSA-N 1 1 460.667 2.989 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC(N)=O ZINC001290515373 1062314848 /nfs/dbraw/zinc/31/48/48/1062314848.db2.gz XYBJZCMYZKCIDG-KRWDZBQOSA-N 1 1 491.600 2.531 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001290515397 1062315712 /nfs/dbraw/zinc/31/57/12/1062315712.db2.gz YLWUVKWADNHYLY-HNNXBMFYSA-N 1 1 472.391 2.970 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001290515708 1062316253 /nfs/dbraw/zinc/31/62/53/1062316253.db2.gz QIPLSUOJYNISGM-UHFFFAOYSA-N 1 1 466.590 2.774 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290515776 1062317199 /nfs/dbraw/zinc/31/71/99/1062317199.db2.gz SUIZEASSOYTTCD-LJQANCHMSA-N 1 1 461.611 2.802 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290517692 1062317475 /nfs/dbraw/zinc/31/74/75/1062317475.db2.gz HGSATZLNXHWOPZ-OFVILXPXSA-N 1 1 487.649 2.655 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290517693 1062318342 /nfs/dbraw/zinc/31/83/42/1062318342.db2.gz HGSATZLNXHWOPZ-PXDATVDWSA-N 1 1 487.649 2.655 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[N@@H+](CC)C2)CC1=O ZINC001294734492 1062318461 /nfs/dbraw/zinc/31/84/61/1062318461.db2.gz WLRDIWXANKUDCR-GOSISDBHSA-N 1 1 460.573 2.938 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)nnc1C(C)(C)C ZINC001290517945 1062318937 /nfs/dbraw/zinc/31/89/37/1062318937.db2.gz PQSJJUUPHDGREI-UHFFFAOYSA-N 1 1 464.618 2.932 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001290518171 1062319532 /nfs/dbraw/zinc/31/95/32/1062319532.db2.gz YIHAYLZBPWSZGF-UHFFFAOYSA-N 1 1 497.547 2.758 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N(C)CCS(C)(=O)=O ZINC001290521332 1062320771 /nfs/dbraw/zinc/32/07/71/1062320771.db2.gz IWXGHDFRZZYGRE-UHFFFAOYSA-N 1 1 485.383 2.533 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290521794 1062322119 /nfs/dbraw/zinc/32/21/19/1062322119.db2.gz PQRRLAXNXZEMNQ-AWEZNQCLSA-N 1 1 476.354 2.754 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001287110064 1062323758 /nfs/dbraw/zinc/32/37/58/1062323758.db2.gz QEATXDCAUCKNAA-UHFFFAOYSA-N 1 1 467.662 2.666 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287110064 1062323780 /nfs/dbraw/zinc/32/37/80/1062323780.db2.gz QEATXDCAUCKNAA-UHFFFAOYSA-N 1 1 467.662 2.666 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287110064 1062323803 /nfs/dbraw/zinc/32/38/03/1062323803.db2.gz QEATXDCAUCKNAA-UHFFFAOYSA-N 1 1 467.662 2.666 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001290524479 1062325634 /nfs/dbraw/zinc/32/56/34/1062325634.db2.gz DBMPUAFZYMHSIT-GOSISDBHSA-N 1 1 466.590 2.915 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001290524902 1062326954 /nfs/dbraw/zinc/32/69/54/1062326954.db2.gz QILYGCYXMKHELY-NRFANRHFSA-N 1 1 453.566 2.954 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001290529990 1062331065 /nfs/dbraw/zinc/33/10/65/1062331065.db2.gz VDHJNMOJEREMHF-BBRMVZONSA-N 1 1 483.520 2.631 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287112805 1062331102 /nfs/dbraw/zinc/33/11/02/1062331102.db2.gz WDTJJOKGPMMOPA-JOCHJYFZSA-N 1 1 460.667 2.552 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001294743474 1062331692 /nfs/dbraw/zinc/33/16/92/1062331692.db2.gz ALXSOSWEFWPCRZ-FDFHNCONSA-N 1 1 470.618 2.872 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001290530110 1062332009 /nfs/dbraw/zinc/33/20/09/1062332009.db2.gz YDCDLLBHSLRMBW-UHFFFAOYSA-N 1 1 469.565 2.896 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2OC)CC1 ZINC001294743493 1062331949 /nfs/dbraw/zinc/33/19/49/1062331949.db2.gz AUYHBOWFEXPWOG-QFIPXVFZSA-N 1 1 483.661 2.622 20 0 JFADMO Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001290530296 1062332369 /nfs/dbraw/zinc/33/23/69/1062332369.db2.gz ZOCNXMUYRJDECC-GOSISDBHSA-N 1 1 468.631 2.702 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 ZINC001294744022 1062334493 /nfs/dbraw/zinc/33/44/93/1062334493.db2.gz JWCGHXMCAYWAAQ-HOTGVXAUSA-N 1 1 489.484 2.642 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001287114123 1062335468 /nfs/dbraw/zinc/33/54/68/1062335468.db2.gz RDKNKENARNMARS-UHFFFAOYSA-N 1 1 461.010 2.625 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294744647 1062336742 /nfs/dbraw/zinc/33/67/42/1062336742.db2.gz ZTLIPODMOHRINV-FPOVZHCZSA-N 1 1 467.618 2.689 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 ZINC001294745429 1062337674 /nfs/dbraw/zinc/33/76/74/1062337674.db2.gz PCFAIJAYSYKJDQ-SFHVURJKSA-N 1 1 482.601 2.915 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)CC1 ZINC001294748798 1062340305 /nfs/dbraw/zinc/34/03/05/1062340305.db2.gz FMVCKOCTAYJIAE-IBGZPJMESA-N 1 1 456.591 2.505 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001287115426 1062341859 /nfs/dbraw/zinc/34/18/59/1062341859.db2.gz IPSUNBVWECLYGH-PKTZIBPZSA-N 1 1 468.646 2.757 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1[C@@H]1CCCO1 ZINC001294754190 1062343208 /nfs/dbraw/zinc/34/32/08/1062343208.db2.gz OHOWXXHTFZMWBN-WOZUAGRISA-N 1 1 453.624 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC ZINC001294754707 1062344467 /nfs/dbraw/zinc/34/44/67/1062344467.db2.gz HLZYOTPWODZMRL-SFTDATJTSA-N 1 1 475.659 2.742 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001294755570 1062345925 /nfs/dbraw/zinc/34/59/25/1062345925.db2.gz PDULJOSYMHFJNL-XDNAFOTISA-N 1 1 459.607 2.782 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001294757451 1062348031 /nfs/dbraw/zinc/34/80/31/1062348031.db2.gz MCNMODORVAFJRM-NRFANRHFSA-N 1 1 453.635 2.833 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccn2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290547786 1062348806 /nfs/dbraw/zinc/34/88/06/1062348806.db2.gz RTZWJNCIMBTBHL-HSZRJFAPSA-N 1 1 466.634 2.607 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290547788 1062349185 /nfs/dbraw/zinc/34/91/85/1062349185.db2.gz RTZWJNCIMBTBHL-QHCPKHFHSA-N 1 1 466.634 2.607 20 0 JFADMO CCCn1nc(-c2nnc(N(C)C[C@H](C)CC)n2C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001294765904 1062357177 /nfs/dbraw/zinc/35/71/77/1062357177.db2.gz ZHUCXTBQDILRAA-IQGLISFBSA-N 1 1 467.618 2.614 20 0 JFADMO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001290561944 1062362567 /nfs/dbraw/zinc/36/25/67/1062362567.db2.gz ISQYTBCCSCJKHO-GOSISDBHSA-N 1 1 459.534 2.945 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287120435 1062363252 /nfs/dbraw/zinc/36/32/52/1062363252.db2.gz LMMOAUQVIMWFPL-UHFFFAOYSA-N 1 1 490.052 2.845 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287120435 1062363276 /nfs/dbraw/zinc/36/32/76/1062363276.db2.gz LMMOAUQVIMWFPL-UHFFFAOYSA-N 1 1 490.052 2.845 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287120465 1062363425 /nfs/dbraw/zinc/36/34/25/1062363425.db2.gz MCDSVPPOVZJFBH-IBGZPJMESA-N 1 1 456.639 2.684 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 ZINC001290566039 1062369053 /nfs/dbraw/zinc/36/90/53/1062369053.db2.gz XCJMPXKRUCVUMP-GOSISDBHSA-N 1 1 485.555 2.771 20 0 JFADMO CCCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](F)COC)c2ccccc2c1=O ZINC001294771941 1062372195 /nfs/dbraw/zinc/37/21/95/1062372195.db2.gz VPNALFSLXLPBQF-LJQANCHMSA-N 1 1 485.608 2.970 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287122828 1062374293 /nfs/dbraw/zinc/37/42/93/1062374293.db2.gz XOYHJWBYOQURDN-LEWJYISDSA-N 1 1 462.683 2.801 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287124288 1062381604 /nfs/dbraw/zinc/38/16/04/1062381604.db2.gz HMNRCLCGZRWWME-FGZHOGPDSA-N 1 1 489.709 2.534 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001294780962 1062385771 /nfs/dbraw/zinc/38/57/71/1062385771.db2.gz PKAQNHLMXMBVNV-ZRCGQRJVSA-N 1 1 484.645 2.863 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001294780962 1062385785 /nfs/dbraw/zinc/38/57/85/1062385785.db2.gz PKAQNHLMXMBVNV-ZRCGQRJVSA-N 1 1 484.645 2.863 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001294781158 1062386269 /nfs/dbraw/zinc/38/62/69/1062386269.db2.gz REBNKBJBOVPWOQ-SFTDATJTSA-N 1 1 499.660 2.979 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001287128016 1062398706 /nfs/dbraw/zinc/39/87/06/1062398706.db2.gz LWAVZCWBFSGZRI-OAQYLSRUSA-N 1 1 472.609 2.796 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001287128340 1062399495 /nfs/dbraw/zinc/39/94/95/1062399495.db2.gz SOEFFUYHJQLAPH-NHCUHLMSSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290592824 1062414156 /nfs/dbraw/zinc/41/41/56/1062414156.db2.gz AJJPDPQKZGIIDT-KRWDZBQOSA-N 1 1 472.663 2.947 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290592824 1062414164 /nfs/dbraw/zinc/41/41/64/1062414164.db2.gz AJJPDPQKZGIIDT-KRWDZBQOSA-N 1 1 472.663 2.947 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290597720 1062419611 /nfs/dbraw/zinc/41/96/11/1062419611.db2.gz HUEZUDKYHQHXCA-QHCPKHFHSA-N 1 1 478.645 2.719 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287131868 1062428045 /nfs/dbraw/zinc/42/80/45/1062428045.db2.gz XCOZWACFQYVKHW-UHFFFAOYSA-N 1 1 463.026 2.918 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001287131868 1062428053 /nfs/dbraw/zinc/42/80/53/1062428053.db2.gz XCOZWACFQYVKHW-UHFFFAOYSA-N 1 1 463.026 2.918 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001294797669 1062435845 /nfs/dbraw/zinc/43/58/45/1062435845.db2.gz VSZWRYFFCNIDAA-PLACYPQZSA-N 1 1 487.693 2.728 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001294803524 1062452645 /nfs/dbraw/zinc/45/26/45/1062452645.db2.gz LWDSQSWKXUBASO-SJLPKXTDSA-N 1 1 459.664 2.859 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294803856 1062454375 /nfs/dbraw/zinc/45/43/75/1062454375.db2.gz NTAKJMPKLASHBL-GMAHTHKFSA-N 1 1 483.661 2.507 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)c2ccccc2)n1 ZINC001290612512 1062456855 /nfs/dbraw/zinc/45/68/55/1062456855.db2.gz LPIHNYXDHRACBX-VRUMLPLGSA-N 1 1 481.645 2.593 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@](C)(O)c2ccccc2)n1 ZINC001290612512 1062456865 /nfs/dbraw/zinc/45/68/65/1062456865.db2.gz LPIHNYXDHRACBX-VRUMLPLGSA-N 1 1 481.645 2.593 20 0 JFADMO C[C@@H]1[C@H](C(=O)NCCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)CC[N@H+]1C ZINC001290615371 1062462725 /nfs/dbraw/zinc/46/27/25/1062462725.db2.gz AWQAWNAOUYLRCD-ZCAUJLLYSA-N 1 1 452.374 2.942 20 0 JFADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC001290615666 1062464055 /nfs/dbraw/zinc/46/40/55/1062464055.db2.gz CVVOHJVZHDWBNB-JCPCDMFFSA-N 1 1 458.367 2.601 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287136512 1062469513 /nfs/dbraw/zinc/46/95/13/1062469513.db2.gz XROSCKWXTDCNRQ-JOCHJYFZSA-N 1 1 464.618 2.552 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCC2(O)CCOCC2)n1 ZINC001290624607 1062490329 /nfs/dbraw/zinc/49/03/29/1062490329.db2.gz CVJCMPUOBBYPQP-UHFFFAOYSA-N 1 1 473.666 2.628 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287141222 1062500192 /nfs/dbraw/zinc/50/01/92/1062500192.db2.gz ZPLAVBKGKJGCRN-SFTDATJTSA-N 1 1 454.619 2.767 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001290629643 1062502852 /nfs/dbraw/zinc/50/28/52/1062502852.db2.gz ULTOWCMKQDWMIM-QHCPKHFHSA-N 1 1 478.645 2.623 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001290633306 1062511221 /nfs/dbraw/zinc/51/12/21/1062511221.db2.gz QOFMFEBUJMDICK-APWZRJJASA-N 1 1 451.566 2.590 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001290634222 1062512623 /nfs/dbraw/zinc/51/26/23/1062512623.db2.gz FKKHTBXPWMBLSH-IBGZPJMESA-N 1 1 499.582 2.798 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001287148456 1062516671 /nfs/dbraw/zinc/51/66/71/1062516671.db2.gz GQCXJJVFQODQCB-TZBSWOFLSA-N 1 1 489.686 2.688 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287148456 1062516690 /nfs/dbraw/zinc/51/66/90/1062516690.db2.gz GQCXJJVFQODQCB-TZBSWOFLSA-N 1 1 489.686 2.688 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001294832448 1062520334 /nfs/dbraw/zinc/52/03/34/1062520334.db2.gz JPKUFTBOCVTQBN-NRFANRHFSA-N 1 1 453.635 2.738 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290639574 1062524070 /nfs/dbraw/zinc/52/40/70/1062524070.db2.gz JPCORXVXNXRWIW-UHFFFAOYSA-N 1 1 474.654 2.927 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640128 1062525719 /nfs/dbraw/zinc/52/57/19/1062525719.db2.gz RQHFASSIXDZZKP-SFTDATJTSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640128 1062525743 /nfs/dbraw/zinc/52/57/43/1062525743.db2.gz RQHFASSIXDZZKP-SFTDATJTSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001290640951 1062528104 /nfs/dbraw/zinc/52/81/04/1062528104.db2.gz MRMXINDJGPDCSH-QZTJIDSGSA-N 1 1 468.572 2.695 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001290640997 1062528446 /nfs/dbraw/zinc/52/84/46/1062528446.db2.gz NBTUIOHCQXNEOH-FQEVSTJZSA-N 1 1 486.665 2.786 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001290640998 1062528639 /nfs/dbraw/zinc/52/86/39/1062528639.db2.gz NBTUIOHCQXNEOH-HXUWFJFHSA-N 1 1 486.665 2.786 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)c4ccccc4F)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001290641653 1062530260 /nfs/dbraw/zinc/53/02/60/1062530260.db2.gz YXUZDHZKHPWLPW-UHFFFAOYSA-N 1 1 496.635 2.972 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290646936 1062538569 /nfs/dbraw/zinc/53/85/69/1062538569.db2.gz ALIKDLVMEBZIMK-FQEVSTJZSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290646936 1062538583 /nfs/dbraw/zinc/53/85/83/1062538583.db2.gz ALIKDLVMEBZIMK-FQEVSTJZSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001290647312 1062540740 /nfs/dbraw/zinc/54/07/40/1062540740.db2.gz WCDPMVRMSDNLTJ-UGKGYDQZSA-N 1 1 470.666 2.565 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001294849164 1062548894 /nfs/dbraw/zinc/54/88/94/1062548894.db2.gz IBYYVSUMGIUSOB-UHFFFAOYSA-N 1 1 465.602 2.531 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290652440 1062550837 /nfs/dbraw/zinc/55/08/37/1062550837.db2.gz IWNZBXFKNIKOSL-HXUWFJFHSA-N 1 1 474.654 2.973 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158342 1062550998 /nfs/dbraw/zinc/55/09/98/1062550998.db2.gz CKBJNXIEYWTYKF-ACRUOGEOSA-N 1 1 492.665 2.632 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001290653911 1062552955 /nfs/dbraw/zinc/55/29/55/1062552955.db2.gz KSGXPCZQDVHVEJ-HXUWFJFHSA-N 1 1 469.659 2.619 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001287159105 1062554637 /nfs/dbraw/zinc/55/46/37/1062554637.db2.gz AOSRRBOXDYQELO-QFIPXVFZSA-N 1 1 455.582 2.735 20 0 JFADMO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287160418 1062559967 /nfs/dbraw/zinc/55/99/67/1062559967.db2.gz DNBCFAJAOGOEJC-BJLQDIEVSA-N 1 1 470.622 2.957 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001287161307 1062561606 /nfs/dbraw/zinc/56/16/06/1062561606.db2.gz LURBSRDAFWVMHL-QFIPXVFZSA-N 1 1 453.566 2.791 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287173400 1062595599 /nfs/dbraw/zinc/59/55/99/1062595599.db2.gz BZJGBOFFCHQZKK-NRFANRHFSA-N 1 1 489.734 2.999 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287173400 1062595623 /nfs/dbraw/zinc/59/56/23/1062595623.db2.gz BZJGBOFFCHQZKK-NRFANRHFSA-N 1 1 489.734 2.999 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287173400 1062595645 /nfs/dbraw/zinc/59/56/45/1062595645.db2.gz BZJGBOFFCHQZKK-NRFANRHFSA-N 1 1 489.734 2.999 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001294884849 1062598810 /nfs/dbraw/zinc/59/88/10/1062598810.db2.gz WDQIHJASIIDQIW-JOCHJYFZSA-N 1 1 491.434 2.535 20 0 JFADMO CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287181733 1062607772 /nfs/dbraw/zinc/60/77/72/1062607772.db2.gz VALAFKSDIRIRBL-HXUWFJFHSA-N 1 1 480.617 2.629 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001287184836 1062611204 /nfs/dbraw/zinc/61/12/04/1062611204.db2.gz XUFUVWWJHCJBRC-KDURUIRLSA-N 1 1 463.648 2.593 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001287184836 1062611213 /nfs/dbraw/zinc/61/12/13/1062611213.db2.gz XUFUVWWJHCJBRC-KDURUIRLSA-N 1 1 463.648 2.593 20 0 JFADMO Cc1nnc(CCn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC(C)C)CC2)s1 ZINC001290692625 1062614554 /nfs/dbraw/zinc/61/45/54/1062614554.db2.gz RZMYDYVEKGERQZ-UHFFFAOYSA-N 1 1 473.622 2.958 20 0 JFADMO CCCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001294901422 1062638308 /nfs/dbraw/zinc/63/83/08/1062638308.db2.gz WTYSPIDPZQSBIP-JOCHJYFZSA-N 1 1 470.618 2.767 20 0 JFADMO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287203383 1062647236 /nfs/dbraw/zinc/64/72/36/1062647236.db2.gz VMRBBJGTKMLCIA-GOSISDBHSA-N 1 1 463.570 2.503 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(=O)Nc1ccc(F)cc1 ZINC001290737506 1062659159 /nfs/dbraw/zinc/65/91/59/1062659159.db2.gz MIFQTURHJDSUCC-HTAPYJJXSA-N 1 1 454.554 2.617 20 0 JFADMO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290746374 1062664996 /nfs/dbraw/zinc/66/49/96/1062664996.db2.gz QWLHURJHSNQOHQ-INIZCTEOSA-N 1 1 472.453 2.766 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287212147 1062666090 /nfs/dbraw/zinc/66/60/90/1062666090.db2.gz MNGSQOOOZOFJMB-JOCHJYFZSA-N 1 1 460.667 2.867 20 0 JFADMO Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290751244 1062669556 /nfs/dbraw/zinc/66/95/56/1062669556.db2.gz PHCPGFVOKBDAPK-KNQAVFIVSA-N 1 1 484.649 2.543 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001287213211 1062670431 /nfs/dbraw/zinc/67/04/31/1062670431.db2.gz ZASLVQKYJAMPJS-MOPGFXCFSA-N 1 1 457.627 2.588 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213920 1062675005 /nfs/dbraw/zinc/67/50/05/1062675005.db2.gz HJHSQBGYZIFKFA-SFHVURJKSA-N 1 1 462.545 2.794 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287215231 1062683955 /nfs/dbraw/zinc/68/39/55/1062683955.db2.gz XNRWPKMTCJBTNU-UHFFFAOYSA-N 1 1 473.710 2.904 20 0 JFADMO C[NH+]1CCN(CCCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290771040 1062688632 /nfs/dbraw/zinc/68/86/32/1062688632.db2.gz JZJFKNVFDDKZMO-UHFFFAOYSA-N 1 1 453.727 2.841 20 0 JFADMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290782263 1062693118 /nfs/dbraw/zinc/69/31/18/1062693118.db2.gz OOVPVIWAKRRGHC-HKUYNNGSSA-N 1 1 459.450 2.889 20 0 JFADMO Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290793726 1062700403 /nfs/dbraw/zinc/70/04/03/1062700403.db2.gz VVODFSNNUUORTN-VXKWHMMOSA-N 1 1 470.618 2.839 20 0 JFADMO Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290793726 1062700423 /nfs/dbraw/zinc/70/04/23/1062700423.db2.gz VVODFSNNUUORTN-VXKWHMMOSA-N 1 1 470.618 2.839 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287220631 1062705322 /nfs/dbraw/zinc/70/53/22/1062705322.db2.gz XWWOPPMGCZIROA-HSZRJFAPSA-N 1 1 483.661 2.519 20 0 JFADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290807945 1062709947 /nfs/dbraw/zinc/70/99/47/1062709947.db2.gz AGLFTXVUGIEEDH-SFHVURJKSA-N 1 1 463.586 2.649 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCNc1ccccn1 ZINC001287223571 1062710046 /nfs/dbraw/zinc/71/00/46/1062710046.db2.gz NLORSWGJJBUDAT-JOCHJYFZSA-N 1 1 470.666 2.530 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001287223926 1062710899 /nfs/dbraw/zinc/71/08/99/1062710899.db2.gz PVAZNIPNYVXORZ-UHFFFAOYSA-N 1 1 474.656 2.764 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001287223728 1062711034 /nfs/dbraw/zinc/71/10/34/1062711034.db2.gz OMLISRQANNYGLL-BGYRXZFFSA-N 1 1 468.650 2.935 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290824892 1062719141 /nfs/dbraw/zinc/71/91/41/1062719141.db2.gz RYLMBHKHYUPYNR-LEWJYISDSA-N 1 1 464.655 2.907 20 0 JFADMO CC(C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001287231306 1062720280 /nfs/dbraw/zinc/72/02/80/1062720280.db2.gz KCVUHINZLLRLDX-HDICACEKSA-N 1 1 450.509 2.648 20 0 JFADMO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287232175 1062722674 /nfs/dbraw/zinc/72/26/74/1062722674.db2.gz NPXQKTKHFCLGGU-VQTJNVASSA-N 1 1 474.675 2.989 20 0 JFADMO CC(C)c1noc([C@H](C)N2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001287232697 1062724531 /nfs/dbraw/zinc/72/45/31/1062724531.db2.gz WFDNUSNFKHRJKV-RBUKOAKNSA-N 1 1 460.627 2.859 20 0 JFADMO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCNC(=O)C(C)(C)C ZINC001290840684 1062729257 /nfs/dbraw/zinc/72/92/57/1062729257.db2.gz NLDHJDVVNXCPLY-RUZDIDTESA-N 1 1 454.619 2.620 20 0 JFADMO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCNC(=O)C(C)(C)C ZINC001290840684 1062729272 /nfs/dbraw/zinc/72/92/72/1062729272.db2.gz NLDHJDVVNXCPLY-RUZDIDTESA-N 1 1 454.619 2.620 20 0 JFADMO Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001290841580 1062729800 /nfs/dbraw/zinc/72/98/00/1062729800.db2.gz DUSLXMRGMOWSEG-UHFFFAOYSA-N 1 1 470.618 2.772 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC001290846541 1062732946 /nfs/dbraw/zinc/73/29/46/1062732946.db2.gz FELYUEQAVKYXLE-ZXJYCPGTSA-N 1 1 455.580 2.616 20 0 JFADMO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001290856181 1062739280 /nfs/dbraw/zinc/73/92/80/1062739280.db2.gz BWBFTBNJAVLLTA-KRWDZBQOSA-N 1 1 474.656 2.830 20 0 JFADMO Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290868230 1062750957 /nfs/dbraw/zinc/75/09/57/1062750957.db2.gz VPDMEXKXIHHKFM-MRXNPFEDSA-N 1 1 468.524 2.855 20 0 JFADMO CCCOc1ccc(Cn2c(N3CC[N@@H+](CC)[C@@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cn1 ZINC001294971982 1062754076 /nfs/dbraw/zinc/75/40/76/1062754076.db2.gz QCQLOHRQJMIOQR-YADARESESA-N 1 1 458.607 2.693 20 0 JFADMO CCCOc1cccc(CCn2c(C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001294972881 1062755921 /nfs/dbraw/zinc/75/59/21/1062755921.db2.gz OJQBKKXTEZZHKX-CPJSRVTESA-N 1 1 468.646 2.997 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290870778 1062756923 /nfs/dbraw/zinc/75/69/23/1062756923.db2.gz XJEQXCQIWRYCQB-HXUWFJFHSA-N 1 1 459.683 2.668 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001287284435 1062758864 /nfs/dbraw/zinc/75/88/64/1062758864.db2.gz XMSUIPJZHNGNDX-UXHICEINSA-N 1 1 459.664 2.794 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290887569 1062766987 /nfs/dbraw/zinc/76/69/87/1062766987.db2.gz FYSCZKBQYOTWGG-XLIONFOSSA-N 1 1 464.408 2.774 20 0 JFADMO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290888604 1062767674 /nfs/dbraw/zinc/76/76/74/1062767674.db2.gz WXSWAJQLXXNFFY-NQIIRXRSSA-N 1 1 458.607 2.837 20 0 JFADMO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891536 1062768891 /nfs/dbraw/zinc/76/88/91/1062768891.db2.gz NLUHBXBYLLGCAL-WMZOPIPTSA-N 1 1 459.450 2.891 20 0 JFADMO C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891536 1062768911 /nfs/dbraw/zinc/76/89/11/1062768911.db2.gz NLUHBXBYLLGCAL-WMZOPIPTSA-N 1 1 459.450 2.891 20 0 JFADMO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290900593 1062772880 /nfs/dbraw/zinc/77/28/80/1062772880.db2.gz QFHXVWWYGJSNEZ-PCCBWWKXSA-N 1 1 462.639 2.683 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001287299365 1062773406 /nfs/dbraw/zinc/77/34/06/1062773406.db2.gz SLWIIYRVPLPASX-OAQYLSRUSA-N 1 1 461.582 2.968 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001287299365 1062773427 /nfs/dbraw/zinc/77/34/27/1062773427.db2.gz SLWIIYRVPLPASX-OAQYLSRUSA-N 1 1 461.582 2.968 20 0 JFADMO Cc1noc(C)c1[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001290910799 1062786360 /nfs/dbraw/zinc/78/63/60/1062786360.db2.gz OINZLGZJSKZMNY-SFHVURJKSA-N 1 1 487.649 2.604 20 0 JFADMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC001290920990 1062796670 /nfs/dbraw/zinc/79/66/70/1062796670.db2.gz RBOZMEXXJDTBGA-UHFFFAOYSA-N 1 1 455.502 2.658 20 0 JFADMO CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001295008917 1062796748 /nfs/dbraw/zinc/79/67/48/1062796748.db2.gz QPKZEQNEKJKBBK-REWPJTCUSA-N 1 1 484.645 2.548 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295014618 1062804640 /nfs/dbraw/zinc/80/46/40/1062804640.db2.gz DSWHZLMJPBEWSU-VWPQPMDRSA-N 1 1 496.722 2.938 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001295015730 1062810853 /nfs/dbraw/zinc/81/08/53/1062810853.db2.gz ZWLAJXBILQQGGG-QFIPXVFZSA-N 1 1 489.690 2.903 20 0 JFADMO CC(C)C[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1)[NH+](C)C ZINC001287339743 1062817800 /nfs/dbraw/zinc/81/78/00/1062817800.db2.gz YDJFDVYJOSKTQK-VWLOTQADSA-N 1 1 483.705 2.846 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001295020794 1062822133 /nfs/dbraw/zinc/82/21/33/1062822133.db2.gz FOJVFCQOGDCIMZ-GOSISDBHSA-N 1 1 477.679 2.939 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295045569 1062846980 /nfs/dbraw/zinc/84/69/80/1062846980.db2.gz ROXOKGJENXZMSM-NJDAHSKKSA-N 1 1 492.665 2.586 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001295047972 1062851183 /nfs/dbraw/zinc/85/11/83/1062851183.db2.gz BZMYGGYPZYEUDQ-QWFCFKBJSA-N 1 1 472.638 2.997 20 0 JFADMO CCN(C)C(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001295054773 1062857846 /nfs/dbraw/zinc/85/78/46/1062857846.db2.gz DOBAGFUIAUVUGJ-HFZDXXHNSA-N 1 1 484.645 2.814 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287420420 1062859733 /nfs/dbraw/zinc/85/97/33/1062859733.db2.gz QNCGYRDTGLNOFZ-BKMJKUGQSA-N 1 1 486.636 2.656 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)CC2)c1 ZINC001295059458 1062871095 /nfs/dbraw/zinc/87/10/95/1062871095.db2.gz BECKDGIVOJXJQM-XMMPIXPASA-N 1 1 450.583 2.803 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)CC2)c1 ZINC001295059458 1062871113 /nfs/dbraw/zinc/87/11/13/1062871113.db2.gz BECKDGIVOJXJQM-XMMPIXPASA-N 1 1 450.583 2.803 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287438052 1062871836 /nfs/dbraw/zinc/87/18/36/1062871836.db2.gz SCDCQGXEDNEOGO-FCHUYYIVSA-N 1 1 460.667 2.576 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287443721 1062879041 /nfs/dbraw/zinc/87/90/41/1062879041.db2.gz XTEPTEAKFMRUPK-HBMCJLEFSA-N 1 1 482.739 2.999 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287445495 1062880044 /nfs/dbraw/zinc/88/00/44/1062880044.db2.gz AUIPWUIEDIDNCS-RTWAWAEBSA-N 1 1 489.709 2.550 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287448545 1062884255 /nfs/dbraw/zinc/88/42/55/1062884255.db2.gz VTFKDXBMNPRQRD-PZJWPPBQSA-N 1 1 479.633 2.529 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287448547 1062884864 /nfs/dbraw/zinc/88/48/64/1062884864.db2.gz VTFKDXBMNPRQRD-TZIWHRDSSA-N 1 1 479.633 2.529 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290996267 1062888690 /nfs/dbraw/zinc/88/86/90/1062888690.db2.gz CLVLCJLZHPMBGV-SVFBPWRDSA-N 1 1 487.693 2.727 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287454407 1062889702 /nfs/dbraw/zinc/88/97/02/1062889702.db2.gz QBQHNWUNGBRJFE-UHFFFAOYSA-N 1 1 499.679 2.994 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287454407 1062889727 /nfs/dbraw/zinc/88/97/27/1062889727.db2.gz QBQHNWUNGBRJFE-UHFFFAOYSA-N 1 1 499.679 2.994 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287454407 1062889749 /nfs/dbraw/zinc/88/97/49/1062889749.db2.gz QBQHNWUNGBRJFE-UHFFFAOYSA-N 1 1 499.679 2.994 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287461673 1062899182 /nfs/dbraw/zinc/89/91/82/1062899182.db2.gz ABNHZRAZMGOHNJ-NHCUHLMSSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001287461673 1062899194 /nfs/dbraw/zinc/89/91/94/1062899194.db2.gz ABNHZRAZMGOHNJ-NHCUHLMSSA-N 1 1 473.691 2.584 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCOc1ccccc1 ZINC001287462204 1062901152 /nfs/dbraw/zinc/90/11/52/1062901152.db2.gz JUEBDHYZUKLICH-QFIPXVFZSA-N 1 1 454.619 2.689 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462881 1062904178 /nfs/dbraw/zinc/90/41/78/1062904178.db2.gz UDZGBHUBVPNJJD-OAQYLSRUSA-N 1 1 460.573 2.740 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291009595 1062907046 /nfs/dbraw/zinc/90/70/46/1062907046.db2.gz IIDHFLODWSZAEC-SZPZYZBQSA-N 1 1 468.646 2.998 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011284 1062911926 /nfs/dbraw/zinc/91/19/26/1062911926.db2.gz IJWBQBHNBACGGN-BBWFWOEESA-N 1 1 492.612 2.955 20 0 JFADMO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001295081115 1062912894 /nfs/dbraw/zinc/91/28/94/1062912894.db2.gz VRQWLEGYTCOGRO-UHFFFAOYSA-N 1 1 468.627 2.762 20 0 JFADMO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001295081247 1062913183 /nfs/dbraw/zinc/91/31/83/1062913183.db2.gz WKCGIWCZMSHGJH-HXUWFJFHSA-N 1 1 454.619 2.689 20 0 JFADMO CC(C)OC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012112 1062914777 /nfs/dbraw/zinc/91/47/77/1062914777.db2.gz USGSLNZKTWNYHW-HSALFYBXSA-N 1 1 484.711 2.650 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001295083950 1062916925 /nfs/dbraw/zinc/91/69/25/1062916925.db2.gz IATXYKMUCDCZBB-UHFFFAOYSA-N 1 1 470.618 2.799 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287470547 1062918485 /nfs/dbraw/zinc/91/84/85/1062918485.db2.gz AVVNSFSTTUPQJG-UHFFFAOYSA-N 1 1 470.666 2.827 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287470547 1062918502 /nfs/dbraw/zinc/91/85/02/1062918502.db2.gz AVVNSFSTTUPQJG-UHFFFAOYSA-N 1 1 470.666 2.827 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287475723 1062926048 /nfs/dbraw/zinc/92/60/48/1062926048.db2.gz YRVQDMYBRWYGAQ-HXUWFJFHSA-N 1 1 459.614 2.574 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001291015704 1062926798 /nfs/dbraw/zinc/92/67/98/1062926798.db2.gz VGXYAOYQISZPOH-NSHGMRRFSA-N 1 1 465.689 2.922 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001291018438 1062932934 /nfs/dbraw/zinc/93/29/34/1062932934.db2.gz GIXMLXSBEABKNE-YUVXSKOASA-N 1 1 454.619 2.783 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCOCC1CCOCC1 ZINC001287477506 1062934533 /nfs/dbraw/zinc/93/45/33/1062934533.db2.gz ZVMUCWZUWYFKDQ-NRFANRHFSA-N 1 1 463.667 2.999 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287482027 1062937561 /nfs/dbraw/zinc/93/75/61/1062937561.db2.gz LMNQFCRWLNKKOR-LJQANCHMSA-N 1 1 460.589 2.908 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001287485717 1062940901 /nfs/dbraw/zinc/94/09/01/1062940901.db2.gz ATZAHZYJAXBPKT-GGAORHGYSA-N 1 1 488.702 2.859 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291022839 1062943533 /nfs/dbraw/zinc/94/35/33/1062943533.db2.gz MDICAUNQIKKRGL-AKHDSKFASA-N 1 1 496.703 2.648 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)c1 ZINC001295126941 1062944226 /nfs/dbraw/zinc/94/42/26/1062944226.db2.gz JZNGIGGGILRFME-NQIIRXRSSA-N 1 1 486.642 2.975 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)c1 ZINC001295126974 1062944323 /nfs/dbraw/zinc/94/43/23/1062944323.db2.gz LANMVXSYQNOJDH-UHFFFAOYSA-N 1 1 486.418 2.814 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)c1 ZINC001295127212 1062945032 /nfs/dbraw/zinc/94/50/32/1062945032.db2.gz MZEUAUUVYBZADW-UHFFFAOYSA-N 1 1 478.645 2.732 20 0 JFADMO CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001287488314 1062946167 /nfs/dbraw/zinc/94/61/67/1062946167.db2.gz XXUHYMURNCZEED-PXNSSMCTSA-N 1 1 460.026 2.989 20 0 JFADMO CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001287488312 1062946212 /nfs/dbraw/zinc/94/62/12/1062946212.db2.gz XXUHYMURNCZEED-FXAWDEMLSA-N 1 1 460.026 2.989 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)c1 ZINC001295127496 1062946629 /nfs/dbraw/zinc/94/66/29/1062946629.db2.gz QTCLNJCTYVKDAP-GOSISDBHSA-N 1 1 460.648 2.769 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](COC)C2)c1 ZINC001295127793 1062947175 /nfs/dbraw/zinc/94/71/75/1062947175.db2.gz UQMHAAKKNXFRQJ-QHCPKHFHSA-N 1 1 450.587 2.616 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295134844 1062951718 /nfs/dbraw/zinc/95/17/18/1062951718.db2.gz NKXYQOBWDVQMAO-GHTZIAJQSA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295134844 1062951733 /nfs/dbraw/zinc/95/17/33/1062951733.db2.gz NKXYQOBWDVQMAO-GHTZIAJQSA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[N@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295134846 1062952006 /nfs/dbraw/zinc/95/20/06/1062952006.db2.gz NKXYQOBWDVQMAO-RXVVDRJESA-N 1 1 488.658 2.643 20 0 JFADMO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295134846 1062952029 /nfs/dbraw/zinc/95/20/29/1062952029.db2.gz NKXYQOBWDVQMAO-RXVVDRJESA-N 1 1 488.658 2.643 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287507184 1062955297 /nfs/dbraw/zinc/95/52/97/1062955297.db2.gz REXOHPCOBSHZSH-LJQANCHMSA-N 1 1 463.671 2.606 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287507184 1062955312 /nfs/dbraw/zinc/95/53/12/1062955312.db2.gz REXOHPCOBSHZSH-LJQANCHMSA-N 1 1 463.671 2.606 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287507184 1062955329 /nfs/dbraw/zinc/95/53/29/1062955329.db2.gz REXOHPCOBSHZSH-LJQANCHMSA-N 1 1 463.671 2.606 20 0 JFADMO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CC1 ZINC001295143694 1062961922 /nfs/dbraw/zinc/96/19/22/1062961922.db2.gz DTUGUKGRDBDKNC-VYDXJSESSA-N 1 1 470.640 2.551 20 0 JFADMO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CC1 ZINC001295143694 1062961946 /nfs/dbraw/zinc/96/19/46/1062961946.db2.gz DTUGUKGRDBDKNC-VYDXJSESSA-N 1 1 470.640 2.551 20 0 JFADMO C[C@H]1C[C@H](N(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001291032527 1062963857 /nfs/dbraw/zinc/96/38/57/1062963857.db2.gz PVJKGDOISVVFAZ-RBBKRZOGSA-N 1 1 468.646 2.924 20 0 JFADMO C[C@@H]1C[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291033901 1062965736 /nfs/dbraw/zinc/96/57/36/1062965736.db2.gz IRHFYSGIDOQKPV-AQNXPRMDSA-N 1 1 492.665 2.790 20 0 JFADMO C[C@@H]1C[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291033901 1062965751 /nfs/dbraw/zinc/96/57/51/1062965751.db2.gz IRHFYSGIDOQKPV-AQNXPRMDSA-N 1 1 492.665 2.790 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145522 1062966027 /nfs/dbraw/zinc/96/60/27/1062966027.db2.gz FJWCIRYYVMIYOZ-ROUUACIJSA-N 1 1 455.452 2.974 20 0 JFADMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC001295145455 1062966169 /nfs/dbraw/zinc/96/61/69/1062966169.db2.gz DHUVGZGIUBCHLP-LHYMKVENSA-N 1 1 451.611 2.909 20 0 JFADMO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295147812 1062968714 /nfs/dbraw/zinc/96/87/14/1062968714.db2.gz MYPPBIXUPNMCSF-VQIMIIECSA-N 1 1 476.578 2.776 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291043354 1062972151 /nfs/dbraw/zinc/97/21/51/1062972151.db2.gz BPZBWNXWHSWZAO-FGTMMUONSA-N 1 1 466.627 2.784 20 0 JFADMO CC(C)CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287544821 1062977272 /nfs/dbraw/zinc/97/72/72/1062977272.db2.gz QPEOOFVXOVNLAP-LNEBKTTKSA-N 1 1 476.710 2.964 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001291051389 1062981502 /nfs/dbraw/zinc/98/15/02/1062981502.db2.gz DXAMZPUEMDHDFS-FGTMMUONSA-N 1 1 485.599 2.813 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051554 1062981600 /nfs/dbraw/zinc/98/16/00/1062981600.db2.gz HDNIPPAYYCDISR-BKSPAHHJSA-N 1 1 455.651 2.742 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295170428 1062994150 /nfs/dbraw/zinc/99/41/50/1062994150.db2.gz KAGXEQAEDSUOCF-LJQANCHMSA-N 1 1 488.614 2.571 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287583495 1062995376 /nfs/dbraw/zinc/99/53/76/1062995376.db2.gz SLPQHTNVJVTZPG-GOTSBHOMSA-N 1 1 489.686 2.954 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287583495 1062995384 /nfs/dbraw/zinc/99/53/84/1062995384.db2.gz SLPQHTNVJVTZPG-GOTSBHOMSA-N 1 1 489.686 2.954 20 0 JFADMO C[C@@H]1CCC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291068191 1063016052 /nfs/dbraw/zinc/01/60/52/1063016052.db2.gz KNCSAXQAJNOPOT-IRLDBZIGSA-N 1 1 459.683 2.803 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001287643576 1063020774 /nfs/dbraw/zinc/02/07/74/1063020774.db2.gz MCGYTFUXAFKQMC-FQEVSTJZSA-N 1 1 467.680 2.698 20 0 JFADMO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC001295215915 1063028948 /nfs/dbraw/zinc/02/89/48/1063028948.db2.gz CFCGRWBYGGDSAA-LEWJYISDSA-N 1 1 492.665 2.812 20 0 JFADMO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO)C1CC1 ZINC001295215922 1063029572 /nfs/dbraw/zinc/02/95/72/1063029572.db2.gz CFCGRWBYGGDSAA-SFTDATJTSA-N 1 1 492.665 2.812 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C)C1CCCCC1 ZINC001295217052 1063033084 /nfs/dbraw/zinc/03/30/84/1063033084.db2.gz LQGYXAKNOJOAAF-FQEVSTJZSA-N 1 1 470.684 2.500 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC001295220214 1063038957 /nfs/dbraw/zinc/03/89/57/1063038957.db2.gz VBNVAWRFFMMLAX-UXHICEINSA-N 1 1 470.684 2.500 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693572 1063040069 /nfs/dbraw/zinc/04/00/69/1063040069.db2.gz MXKJLYVKWQJUDE-NVXWUHKLSA-N 1 1 455.360 2.923 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695030 1063041008 /nfs/dbraw/zinc/04/10/08/1063041008.db2.gz VCMKSAPGTBGANV-UYAOXDASSA-N 1 1 458.580 2.506 20 0 JFADMO CCC[C@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC[N@H+]1CCOC ZINC001295222776 1063042753 /nfs/dbraw/zinc/04/27/53/1063042753.db2.gz CTPLHGXPTHNVAR-VQTJNVASSA-N 1 1 454.409 2.976 20 0 JFADMO CCN(c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226246 1063045852 /nfs/dbraw/zinc/04/58/52/1063045852.db2.gz UCWVQLGFOFQCQL-KNQAVFIVSA-N 1 1 459.660 2.923 20 0 JFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 ZINC001295228898 1063051052 /nfs/dbraw/zinc/05/10/52/1063051052.db2.gz YDZBWPLQVOAZRS-GOSISDBHSA-N 1 1 451.633 2.608 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229817 1063052651 /nfs/dbraw/zinc/05/26/51/1063052651.db2.gz SPAARASTJCYUHG-IRLDBZIGSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095505 1063054761 /nfs/dbraw/zinc/05/47/61/1063054761.db2.gz MUDSTHANYCKFGE-UXHICEINSA-N 1 1 470.666 2.932 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095504 1063054867 /nfs/dbraw/zinc/05/48/67/1063054867.db2.gz MUDSTHANYCKFGE-PMACEKPBSA-N 1 1 470.666 2.932 20 0 JFADMO C[C@@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001291095784 1063055656 /nfs/dbraw/zinc/05/56/56/1063055656.db2.gz SMPZPKUSIJZJGK-FLFXDLLNSA-N 1 1 462.639 2.742 20 0 JFADMO CC(C)CN1C[C@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287733769 1063057134 /nfs/dbraw/zinc/05/71/34/1063057134.db2.gz QJGAXTMPLLQJEK-RTWAWAEBSA-N 1 1 461.655 2.832 20 0 JFADMO CC(C)CN1C[C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287733770 1063057195 /nfs/dbraw/zinc/05/71/95/1063057195.db2.gz QJGAXTMPLLQJEK-SFTDATJTSA-N 1 1 461.655 2.832 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291096656 1063057639 /nfs/dbraw/zinc/05/76/39/1063057639.db2.gz IPFNTXDTGHKCDY-RBUKOAKNSA-N 1 1 494.644 2.547 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096867 1063058802 /nfs/dbraw/zinc/05/88/02/1063058802.db2.gz LWNGCZCXMRNJCD-ICSRJNTNSA-N 1 1 475.588 2.736 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096868 1063058845 /nfs/dbraw/zinc/05/88/45/1063058845.db2.gz LWNGCZCXMRNJCD-QUCCMNQESA-N 1 1 475.588 2.736 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096888 1063058890 /nfs/dbraw/zinc/05/88/90/1063058890.db2.gz MLOIGNVNOVBHRR-HKUYNNGSSA-N 1 1 468.593 2.992 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(O)cc3)CC2)C1 ZINC001287734194 1063059583 /nfs/dbraw/zinc/05/95/83/1063059583.db2.gz ZVYVXFVWPQTJKJ-OAQYLSRUSA-N 1 1 483.661 2.817 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001291097718 1063060931 /nfs/dbraw/zinc/06/09/31/1063060931.db2.gz AJGHHWDIUUAIFX-NRFANRHFSA-N 1 1 461.699 2.732 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001287738051 1063061208 /nfs/dbraw/zinc/06/12/08/1063061208.db2.gz MYAUYDKKLSSYSD-WCIQWLHISA-N 1 1 454.685 2.739 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738557 1063061815 /nfs/dbraw/zinc/06/18/15/1063061815.db2.gz PDHSOXZIADQBGC-UXHICEINSA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001287738228 1063061858 /nfs/dbraw/zinc/06/18/58/1063061858.db2.gz NUDZPLCVPNFGAH-WOJBJXKFSA-N 1 1 475.659 2.942 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001287738480 1063061895 /nfs/dbraw/zinc/06/18/95/1063061895.db2.gz OMDRHZCGUYNKEB-LEWJYISDSA-N 1 1 468.650 2.844 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739247 1063062458 /nfs/dbraw/zinc/06/24/58/1063062458.db2.gz RMYZLQORDKCQBY-SJORKVTESA-N 1 1 476.638 2.738 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 ZINC001291099012 1063063642 /nfs/dbraw/zinc/06/36/42/1063063642.db2.gz ZUEUOXIASKIGGW-NRFANRHFSA-N 1 1 454.619 2.778 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)C1 ZINC001287739944 1063064033 /nfs/dbraw/zinc/06/40/33/1063064033.db2.gz TZQFJLBYUZUECY-MSOLQXFVSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291099233 1063064396 /nfs/dbraw/zinc/06/43/96/1063064396.db2.gz DGBCHFMPDBFOHR-PKOBYXMFSA-N 1 1 451.662 2.818 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291099383 1063065455 /nfs/dbraw/zinc/06/54/55/1063065455.db2.gz GCPBZSMZMCEFFW-LJQANCHMSA-N 1 1 462.639 2.500 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291099597 1063066090 /nfs/dbraw/zinc/06/60/90/1063066090.db2.gz KEPUWQUQEOHVNY-OALUTQOASA-N 1 1 458.582 2.962 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291099400 1063066265 /nfs/dbraw/zinc/06/62/65/1063066265.db2.gz GPOORTHJSLRJIE-IBGZPJMESA-N 1 1 492.665 2.791 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001287740799 1063067096 /nfs/dbraw/zinc/06/70/96/1063067096.db2.gz GYNNGDNXNYCGNI-QFIPXVFZSA-N 1 1 487.718 2.509 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287742064 1063068869 /nfs/dbraw/zinc/06/88/69/1063068869.db2.gz LRWGVMLORCUUHY-AZUAARDMSA-N 1 1 453.653 2.511 20 0 JFADMO CCN(c1nnc(COc2ccc(OC)cc2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295257290 1063073643 /nfs/dbraw/zinc/07/36/43/1063073643.db2.gz DJXZRDWUROVNTQ-HXUWFJFHSA-N 1 1 491.658 2.611 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001291101785 1063073886 /nfs/dbraw/zinc/07/38/86/1063073886.db2.gz BHQHKNRRKOBSRZ-SFHVURJKSA-N 1 1 473.666 2.898 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103356 1063080913 /nfs/dbraw/zinc/08/09/13/1063080913.db2.gz CGKCCXMXRUNHRR-RTWAWAEBSA-N 1 1 495.672 2.560 20 0 JFADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291103840 1063081492 /nfs/dbraw/zinc/08/14/92/1063081492.db2.gz LMPXGOADTQWLKF-MOPGFXCFSA-N 1 1 482.633 2.528 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCN2CCOCC2)CC1 ZINC001287753177 1063082180 /nfs/dbraw/zinc/08/21/80/1063082180.db2.gz UQUNJWIVOAZZDC-UHFFFAOYSA-N 1 1 462.042 2.884 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103962 1063082493 /nfs/dbraw/zinc/08/24/93/1063082493.db2.gz MUTJEBQNYZYFSG-NCXUSEDFSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291103991 1063082852 /nfs/dbraw/zinc/08/28/52/1063082852.db2.gz NGKIZBBCLNOLOT-QGZVFWFLSA-N 1 1 460.573 2.936 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104281 1063083458 /nfs/dbraw/zinc/08/34/58/1063083458.db2.gz RUQJUCWYJJUMJL-UXHICEINSA-N 1 1 469.634 2.569 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104386 1063084305 /nfs/dbraw/zinc/08/43/05/1063084305.db2.gz TVUKLUUVCIWDQB-QRVBRYPASA-N 1 1 477.654 2.640 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291104434 1063084354 /nfs/dbraw/zinc/08/43/54/1063084354.db2.gz UMXPVEUUVOTURR-LEWJYISDSA-N 1 1 487.693 2.718 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1=O ZINC001287763054 1063089549 /nfs/dbraw/zinc/08/95/49/1063089549.db2.gz XZXJGCONKBHVGR-FQEVSTJZSA-N 1 1 462.602 2.560 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106003 1063090862 /nfs/dbraw/zinc/09/08/62/1063090862.db2.gz QNSFJVLVNLYVCK-PZPWOCDFSA-N 1 1 478.439 2.858 20 0 JFADMO CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001287768631 1063093931 /nfs/dbraw/zinc/09/39/31/1063093931.db2.gz NJTHTRLINICXPW-UHFFFAOYSA-N 1 1 489.064 2.938 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106692 1063094330 /nfs/dbraw/zinc/09/43/30/1063094330.db2.gz ZLMLZLFRUFBRIO-ROUUACIJSA-N 1 1 494.482 2.925 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291107148 1063095329 /nfs/dbraw/zinc/09/53/29/1063095329.db2.gz GMBDTUJTJJSWCL-RTWAWAEBSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107077 1063095461 /nfs/dbraw/zinc/09/54/61/1063095461.db2.gz FVQJZAJMLDRFGO-YADHBBJMSA-N 1 1 469.678 2.931 20 0 JFADMO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291107074 1063095592 /nfs/dbraw/zinc/09/55/92/1063095592.db2.gz FVQJZAJMLDRFGO-FCHUYYIVSA-N 1 1 469.678 2.931 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107505 1063096626 /nfs/dbraw/zinc/09/66/26/1063096626.db2.gz JVAHGJMTFYPMPE-ZIFCJYIRSA-N 1 1 486.583 2.797 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107504 1063096668 /nfs/dbraw/zinc/09/66/68/1063096668.db2.gz JVAHGJMTFYPMPE-ZHALLVOQSA-N 1 1 486.583 2.797 20 0 JFADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107688 1063097058 /nfs/dbraw/zinc/09/70/58/1063097058.db2.gz LQEZGSOZQJEDEL-RTWAWAEBSA-N 1 1 458.626 2.897 20 0 JFADMO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107889 1063098114 /nfs/dbraw/zinc/09/81/14/1063098114.db2.gz NRPUKAGCSZEPIC-VAMGGRTRSA-N 1 1 466.696 2.774 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107885 1063098167 /nfs/dbraw/zinc/09/81/67/1063098167.db2.gz NRHXHWVIKRRMEI-QYZOEREBSA-N 1 1 458.582 2.818 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291108305 1063099691 /nfs/dbraw/zinc/09/96/91/1063099691.db2.gz UDGAXXRDCKSKHW-SFTDATJTSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1=O ZINC001287778236 1063100867 /nfs/dbraw/zinc/10/08/67/1063100867.db2.gz OIRRFYSDIOKMTI-LEWJYISDSA-N 1 1 487.693 2.604 20 0 JFADMO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1=O ZINC001287778237 1063100949 /nfs/dbraw/zinc/10/09/49/1063100949.db2.gz OIRRFYSDIOKMTI-NHCUHLMSSA-N 1 1 487.693 2.604 20 0 JFADMO CCN(C1CCN(c2nnc(CCc3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1)S(C)(=O)=O ZINC001295273346 1063103140 /nfs/dbraw/zinc/10/31/40/1063103140.db2.gz LCBGDOXFRQSLAD-NRFANRHFSA-N 1 1 488.702 2.798 20 0 JFADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291109101 1063103308 /nfs/dbraw/zinc/10/33/08/1063103308.db2.gz GPVWBCRQNPABAH-QYZOEREBSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291109098 1063103391 /nfs/dbraw/zinc/10/33/91/1063103391.db2.gz GPVWBCRQNPABAH-FHWLQOOXSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H](Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001291109641 1063105445 /nfs/dbraw/zinc/10/54/45/1063105445.db2.gz PEPWSIWOVWOBCY-OALUTQOASA-N 1 1 468.650 2.517 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccccn2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295291724 1063136842 /nfs/dbraw/zinc/13/68/42/1063136842.db2.gz FWFQIQKSABIGFL-REWPJTCUSA-N 1 1 450.587 2.929 20 0 JFADMO CC(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123313 1063137272 /nfs/dbraw/zinc/13/72/72/1063137272.db2.gz ITWPKSMDCZNLFH-HXUWFJFHSA-N 1 1 493.678 2.554 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295291950 1063137820 /nfs/dbraw/zinc/13/78/20/1063137820.db2.gz JBFPIZUNGDDZRG-NFBKMPQASA-N 1 1 452.603 2.873 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001291124208 1063141243 /nfs/dbraw/zinc/14/12/43/1063141243.db2.gz ZLPZNMSQVBIALJ-FLFXDLLNSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291124403 1063143929 /nfs/dbraw/zinc/14/39/29/1063143929.db2.gz CPFUAHPOYHMSIM-QYZOEREBSA-N 1 1 485.599 2.814 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001291124879 1063145717 /nfs/dbraw/zinc/14/57/17/1063145717.db2.gz LHPRSCVZMGONTA-IRLDBZIGSA-N 1 1 460.667 2.989 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125513 1063147933 /nfs/dbraw/zinc/14/79/33/1063147933.db2.gz VVAHDUTWLVKCQX-LJQANCHMSA-N 1 1 477.679 2.646 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295296432 1063148172 /nfs/dbraw/zinc/14/81/72/1063148172.db2.gz SPFWIYRXCMQBKK-HSZRJFAPSA-N 1 1 480.661 2.573 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295296432 1063148182 /nfs/dbraw/zinc/14/81/82/1063148182.db2.gz SPFWIYRXCMQBKK-HSZRJFAPSA-N 1 1 480.661 2.573 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295296432 1063148193 /nfs/dbraw/zinc/14/81/93/1063148193.db2.gz SPFWIYRXCMQBKK-HSZRJFAPSA-N 1 1 480.661 2.573 20 0 JFADMO C[C@@H]1CCC[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 ZINC001291125683 1063148699 /nfs/dbraw/zinc/14/86/99/1063148699.db2.gz ZFAYWFNARHXVCB-MBDNFAEBSA-N 1 1 496.722 2.748 20 0 JFADMO C[C@@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291126658 1063155568 /nfs/dbraw/zinc/15/55/68/1063155568.db2.gz QDYSEAGXUNBAHR-AABGKKOBSA-N 1 1 462.664 2.860 20 0 JFADMO CC(C)N(Cc1ccco1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126887 1063156972 /nfs/dbraw/zinc/15/69/72/1063156972.db2.gz VEIWWFYPYDZXRY-ZWKOTPCHSA-N 1 1 452.625 2.628 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC2CCOCC2)C1 ZINC001291126963 1063157905 /nfs/dbraw/zinc/15/79/05/1063157905.db2.gz WKZHGPLOIVBTIO-LJQANCHMSA-N 1 1 455.607 2.910 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291127089 1063158976 /nfs/dbraw/zinc/15/89/76/1063158976.db2.gz YLZYCLVMUPIWQG-RTBURBONSA-N 1 1 458.582 2.820 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291127226 1063161079 /nfs/dbraw/zinc/16/10/79/1063161079.db2.gz AMSOTPBWCRZHDD-MOPGFXCFSA-N 1 1 470.622 2.961 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291127215 1063161254 /nfs/dbraw/zinc/16/12/54/1063161254.db2.gz AJRHEAIKAMVXMS-SFHVURJKSA-N 1 1 456.616 2.706 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001295303092 1063161910 /nfs/dbraw/zinc/16/19/10/1063161910.db2.gz QNXZEDIYVJWZBH-LEWJYISDSA-N 1 1 495.672 2.963 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291127789 1063162085 /nfs/dbraw/zinc/16/20/85/1063162085.db2.gz MHMXHWHMAFERQL-LJQANCHMSA-N 1 1 454.623 2.550 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)C1 ZINC001291128284 1063163222 /nfs/dbraw/zinc/16/32/22/1063163222.db2.gz UNAXMFYNGQBQHV-HNNXBMFYSA-N 1 1 463.508 2.922 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001291128674 1063165320 /nfs/dbraw/zinc/16/53/20/1063165320.db2.gz AQSKQNKHWDWGMS-AABGKKOBSA-N 1 1 462.639 2.960 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291129030 1063167669 /nfs/dbraw/zinc/16/76/69/1063167669.db2.gz HKNDWFAZXPYXPC-IBGZPJMESA-N 1 1 495.093 2.726 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129348 1063169841 /nfs/dbraw/zinc/16/98/41/1063169841.db2.gz MQLVYIUHRZFSFD-IRXDYDNUSA-N 1 1 469.602 2.748 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001291129353 1063170740 /nfs/dbraw/zinc/17/07/40/1063170740.db2.gz MRPVDLLXRKCNGK-JTHBVZDNSA-N 1 1 467.662 2.984 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291129581 1063173468 /nfs/dbraw/zinc/17/34/68/1063173468.db2.gz REJGICJQYGEAEL-NHCUHLMSSA-N 1 1 487.693 2.510 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(CCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291129969 1063175330 /nfs/dbraw/zinc/17/53/30/1063175330.db2.gz XZDTVTIWJHIJHA-OAQYLSRUSA-N 1 1 488.702 2.655 20 0 JFADMO C[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291135821 1063188980 /nfs/dbraw/zinc/18/89/80/1063188980.db2.gz KPECHQIBXVEDCD-NQIIRXRSSA-N 1 1 458.582 2.928 20 0 JFADMO C[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291135822 1063188993 /nfs/dbraw/zinc/18/89/93/1063188993.db2.gz KPECHQIBXVEDCD-RXVVDRJESA-N 1 1 458.582 2.928 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136390 1063192056 /nfs/dbraw/zinc/19/20/56/1063192056.db2.gz VVHUBUMWQVTVCK-KRWDZBQOSA-N 1 1 474.009 2.727 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291136736 1063193356 /nfs/dbraw/zinc/19/33/56/1063193356.db2.gz CRIFMIAJGRTHJD-INIZCTEOSA-N 1 1 464.973 2.517 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001291137147 1063194415 /nfs/dbraw/zinc/19/44/15/1063194415.db2.gz LLEZVSDUSACLMW-ZDUSSCGKSA-N 1 1 458.451 2.822 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001291138000 1063198730 /nfs/dbraw/zinc/19/87/30/1063198730.db2.gz BFCYKAGXXPVKIH-MOPGFXCFSA-N 1 1 454.619 2.951 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291137959 1063199070 /nfs/dbraw/zinc/19/90/70/1063199070.db2.gz AHSNTBPQTQPBAK-UNMCSNQZSA-N 1 1 459.660 2.951 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291138959 1063201865 /nfs/dbraw/zinc/20/18/65/1063201865.db2.gz UCKXZUJFFJKXKX-IAGOWNOFSA-N 1 1 491.434 2.806 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295322680 1063205168 /nfs/dbraw/zinc/20/51/68/1063205168.db2.gz CVZGGQMLUUBVEK-KNQAVFIVSA-N 1 1 470.618 2.970 20 0 JFADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295323768 1063206947 /nfs/dbraw/zinc/20/69/47/1063206947.db2.gz TVUXQSSIOYCAIJ-AEFFLSMTSA-N 1 1 459.597 2.697 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001295323446 1063207193 /nfs/dbraw/zinc/20/71/93/1063207193.db2.gz FPLQZPTXZKECRE-RTWAWAEBSA-N 1 1 476.666 2.510 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3C)n2CCc2ccn(C)n2)CC1 ZINC001295326824 1063216883 /nfs/dbraw/zinc/21/68/83/1063216883.db2.gz CKLNNAWGSDQTEX-UHFFFAOYSA-N 1 1 478.645 2.610 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3C)n2CCc2ccn(C)n2)CC1 ZINC001295326824 1063216907 /nfs/dbraw/zinc/21/69/07/1063216907.db2.gz CKLNNAWGSDQTEX-UHFFFAOYSA-N 1 1 478.645 2.610 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218789 /nfs/dbraw/zinc/21/87/89/1063218789.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 1 1 498.720 2.785 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCC2CCC(OC)CC2)CC1 ZINC001295326935 1063218919 /nfs/dbraw/zinc/21/89/19/1063218919.db2.gz HIXJCXVCJJWEPI-UHFFFAOYSA-N 1 1 498.676 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2CCC2CCC(OC)CC2)CC1 ZINC001295326935 1063218939 /nfs/dbraw/zinc/21/89/39/1063218939.db2.gz HIXJCXVCJJWEPI-UHFFFAOYSA-N 1 1 498.676 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295327292 1063221759 /nfs/dbraw/zinc/22/17/59/1063221759.db2.gz QKSUNLJMRDTWPM-NFBKMPQASA-N 1 1 484.645 2.759 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295327292 1063221779 /nfs/dbraw/zinc/22/17/79/1063221779.db2.gz QKSUNLJMRDTWPM-NFBKMPQASA-N 1 1 484.645 2.759 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(Cl)c2)CC1 ZINC001295327286 1063222297 /nfs/dbraw/zinc/22/22/97/1063222297.db2.gz QKCKNOLUURPUBZ-UHFFFAOYSA-N 1 1 485.036 2.761 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(Cl)c2)CC1 ZINC001295327286 1063222306 /nfs/dbraw/zinc/22/23/06/1063222306.db2.gz QKCKNOLUURPUBZ-UHFFFAOYSA-N 1 1 485.036 2.761 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295327605 1063224852 /nfs/dbraw/zinc/22/48/52/1063224852.db2.gz YWDZJEUVHBLCGD-FYYLOGMGSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295327605 1063224872 /nfs/dbraw/zinc/22/48/72/1063224872.db2.gz YWDZJEUVHBLCGD-FYYLOGMGSA-N 1 1 460.667 2.987 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 ZINC001295328477 1063227290 /nfs/dbraw/zinc/22/72/90/1063227290.db2.gz IQKMSXVJKYKLAB-NRFANRHFSA-N 1 1 499.660 2.563 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 ZINC001295328477 1063227311 /nfs/dbraw/zinc/22/73/11/1063227311.db2.gz IQKMSXVJKYKLAB-NRFANRHFSA-N 1 1 499.660 2.563 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291145963 1063229603 /nfs/dbraw/zinc/22/96/03/1063229603.db2.gz TVVSRUFYFPKTAX-NRFANRHFSA-N 1 1 495.672 2.920 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001295329661 1063229649 /nfs/dbraw/zinc/22/96/49/1063229649.db2.gz UHGAAPXPUCPJOJ-UHFFFAOYSA-N 1 1 469.634 2.789 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001295329661 1063229673 /nfs/dbraw/zinc/22/96/73/1063229673.db2.gz UHGAAPXPUCPJOJ-UHFFFAOYSA-N 1 1 469.634 2.789 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCCCCC2=O)CC1 ZINC001295330593 1063230772 /nfs/dbraw/zinc/23/07/72/1063230772.db2.gz ZSFRRGCQMPTJKN-UHFFFAOYSA-N 1 1 489.709 2.749 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCCCCC2=O)CC1 ZINC001295330593 1063230792 /nfs/dbraw/zinc/23/07/92/1063230792.db2.gz ZSFRRGCQMPTJKN-UHFFFAOYSA-N 1 1 489.709 2.749 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001291147043 1063232583 /nfs/dbraw/zinc/23/25/83/1063232583.db2.gz PRTQGNPXQZAVQO-NQIIRXRSSA-N 1 1 475.037 2.945 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 ZINC001295333812 1063232935 /nfs/dbraw/zinc/23/29/35/1063232935.db2.gz AXDYCJOCWKKKBE-JOCHJYFZSA-N 1 1 487.649 2.748 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 ZINC001295333812 1063232951 /nfs/dbraw/zinc/23/29/51/1063232951.db2.gz AXDYCJOCWKKKBE-JOCHJYFZSA-N 1 1 487.649 2.748 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 ZINC001295333909 1063234082 /nfs/dbraw/zinc/23/40/82/1063234082.db2.gz DIRYXXWVCBBPAD-PMACEKPBSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)c2nccs2)CC1 ZINC001295333909 1063234102 /nfs/dbraw/zinc/23/41/02/1063234102.db2.gz DIRYXXWVCBBPAD-PMACEKPBSA-N 1 1 489.690 2.813 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001291148234 1063235000 /nfs/dbraw/zinc/23/50/00/1063235000.db2.gz NQXDQKOLJVKQCY-VKJFTORMSA-N 1 1 455.028 2.691 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC001291150340 1063237518 /nfs/dbraw/zinc/23/75/18/1063237518.db2.gz ALTDDJDYSWCYNQ-OALUTQOASA-N 1 1 490.674 2.541 20 0 JFADMO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291150341 1063237574 /nfs/dbraw/zinc/23/75/74/1063237574.db2.gz ALTDDJDYSWCYNQ-RBUKOAKNSA-N 1 1 490.674 2.541 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001295334359 1063237825 /nfs/dbraw/zinc/23/78/25/1063237825.db2.gz LNFUYOBCKICVLU-OAQYLSRUSA-N 1 1 470.662 2.959 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2Cc2ccc([C@@H](C)O)cc2)CC1 ZINC001295334359 1063237838 /nfs/dbraw/zinc/23/78/38/1063237838.db2.gz LNFUYOBCKICVLU-OAQYLSRUSA-N 1 1 470.662 2.959 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295334366 1063238083 /nfs/dbraw/zinc/23/80/83/1063238083.db2.gz LZSLRAKHTJCYLP-UXHICEINSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295334366 1063238104 /nfs/dbraw/zinc/23/81/04/1063238104.db2.gz LZSLRAKHTJCYLP-UXHICEINSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2C)CC1 ZINC001295334897 1063244804 /nfs/dbraw/zinc/24/48/04/1063244804.db2.gz WJAKNARKZSRREI-QFIPXVFZSA-N 1 1 469.634 2.652 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2C)CC1 ZINC001295334897 1063244823 /nfs/dbraw/zinc/24/48/23/1063244823.db2.gz WJAKNARKZSRREI-QFIPXVFZSA-N 1 1 469.634 2.652 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 ZINC001295334865 1063245282 /nfs/dbraw/zinc/24/52/82/1063245282.db2.gz UYCVKBMFXAVWCF-YKSBVNFPSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CCCS2)CC1 ZINC001295334865 1063245294 /nfs/dbraw/zinc/24/52/94/1063245294.db2.gz UYCVKBMFXAVWCF-YKSBVNFPSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001295334979 1063246478 /nfs/dbraw/zinc/24/64/78/1063246478.db2.gz KUTOLRTWDGZAOQ-QHCPKHFHSA-N 1 1 468.646 2.623 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001295334979 1063246501 /nfs/dbraw/zinc/24/65/01/1063246501.db2.gz KUTOLRTWDGZAOQ-QHCPKHFHSA-N 1 1 468.646 2.623 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2CC2)CC1 ZINC001295335256 1063251030 /nfs/dbraw/zinc/25/10/30/1063251030.db2.gz QMYSZSFUPUGJIS-UHFFFAOYSA-N 1 1 458.582 2.787 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2CC2)CC1 ZINC001295335256 1063251050 /nfs/dbraw/zinc/25/10/50/1063251050.db2.gz QMYSZSFUPUGJIS-UHFFFAOYSA-N 1 1 458.582 2.787 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)s2)CC1 ZINC001295335506 1063252761 /nfs/dbraw/zinc/25/27/61/1063252761.db2.gz ZUKMIKNYOGKCDL-UHFFFAOYSA-N 1 1 498.701 2.938 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)s2)CC1 ZINC001295335506 1063252778 /nfs/dbraw/zinc/25/27/78/1063252778.db2.gz ZUKMIKNYOGKCDL-UHFFFAOYSA-N 1 1 498.701 2.938 20 0 JFADMO C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291166756 1063253369 /nfs/dbraw/zinc/25/33/69/1063253369.db2.gz FSGSINMVDNVCRK-ICSRJNTNSA-N 1 1 497.612 2.910 20 0 JFADMO C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291166756 1063253396 /nfs/dbraw/zinc/25/33/96/1063253396.db2.gz FSGSINMVDNVCRK-ICSRJNTNSA-N 1 1 497.612 2.910 20 0 JFADMO CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001291175239 1063263417 /nfs/dbraw/zinc/26/34/17/1063263417.db2.gz CVGIIJKEUMWTLT-UHFFFAOYSA-N 1 1 473.691 2.780 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338039 1063264803 /nfs/dbraw/zinc/26/48/03/1063264803.db2.gz GUJDRBNVMGKBEN-IVZQSRNASA-N 1 1 452.958 2.730 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001295343788 1063273696 /nfs/dbraw/zinc/27/36/96/1063273696.db2.gz OQKNSKOCKNPPGR-FQEVSTJZSA-N 1 1 463.671 2.660 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001295345722 1063284425 /nfs/dbraw/zinc/28/44/25/1063284425.db2.gz IXBTUOPEHVQNSF-NRFANRHFSA-N 1 1 469.634 2.558 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001295345722 1063284446 /nfs/dbraw/zinc/28/44/46/1063284446.db2.gz IXBTUOPEHVQNSF-NRFANRHFSA-N 1 1 469.634 2.558 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC001291184941 1063284745 /nfs/dbraw/zinc/28/47/45/1063284745.db2.gz PIJNRQHCOQWJPR-BRWVUGGUSA-N 1 1 463.570 2.547 20 0 JFADMO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290604 /nfs/dbraw/zinc/29/06/04/1063290604.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 1 1 492.709 2.605 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001295353240 1063303152 /nfs/dbraw/zinc/30/31/52/1063303152.db2.gz QVHJKNBERAOXOU-LEWJYISDSA-N 1 1 456.591 2.542 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291197789 1063344704 /nfs/dbraw/zinc/34/47/04/1063344704.db2.gz JYRWLKAEEAAMLY-QZTJIDSGSA-N 1 1 498.632 2.854 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCOCC1CCOCC1 ZINC001291197862 1063345958 /nfs/dbraw/zinc/34/59/58/1063345958.db2.gz LDPIFUPMSXEQDL-FQEVSTJZSA-N 1 1 476.666 2.560 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001295376955 1063347043 /nfs/dbraw/zinc/34/70/43/1063347043.db2.gz QWMHLXPKLLURCK-UPVQGACJSA-N 1 1 475.726 2.897 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001291200532 1063356086 /nfs/dbraw/zinc/35/60/86/1063356086.db2.gz GULLGWQDHFGECU-IEBWSBKVSA-N 1 1 462.639 2.599 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC001291201453 1063357336 /nfs/dbraw/zinc/35/73/36/1063357336.db2.gz WACUAWXJKMOWHF-WBVHZDCISA-N 1 1 450.534 2.777 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001291207351 1063374316 /nfs/dbraw/zinc/37/43/16/1063374316.db2.gz JSRDZOODCSXJHP-QZTJIDSGSA-N 1 1 470.684 2.547 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCC(F)(F)F ZINC001291207699 1063376199 /nfs/dbraw/zinc/37/61/99/1063376199.db2.gz NTWDYPZWYMUZRL-LSDHHAIUSA-N 1 1 466.574 2.541 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210826 1063390255 /nfs/dbraw/zinc/39/02/55/1063390255.db2.gz JJFRTWFPXLUEIH-NVXWUHKLSA-N 1 1 483.480 2.835 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210877 1063391056 /nfs/dbraw/zinc/39/10/56/1063391056.db2.gz KBELEELJWDDSMR-GDBMZVCRSA-N 1 1 469.453 2.824 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC001295406186 1063395730 /nfs/dbraw/zinc/39/57/30/1063395730.db2.gz VWCYDMLVBJRGKE-XXBNENTESA-N 1 1 479.647 2.564 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001291215509 1063426989 /nfs/dbraw/zinc/42/69/89/1063426989.db2.gz QJHCHTXTXZPCMZ-LAUBAEHRSA-N 1 1 461.632 2.693 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001291215511 1063427074 /nfs/dbraw/zinc/42/70/74/1063427074.db2.gz QJHCHTXTXZPCMZ-UWJYYQICSA-N 1 1 461.632 2.693 20 0 JFADMO CCN(CC)c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295428057 1063439616 /nfs/dbraw/zinc/43/96/16/1063439616.db2.gz AQJBBPAZUXVKCD-UHFFFAOYSA-N 1 1 479.423 2.727 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291221211 1063451162 /nfs/dbraw/zinc/45/11/62/1063451162.db2.gz RFOWXMXARNVALO-INIZCTEOSA-N 1 1 499.056 2.988 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291221192 1063451210 /nfs/dbraw/zinc/45/12/10/1063451210.db2.gz QWUAYDRXCNYZEY-UZLBHIALSA-N 1 1 479.000 2.763 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291230110 1063483231 /nfs/dbraw/zinc/48/32/31/1063483231.db2.gz UYWOCJGKPYIFKS-OALUTQOASA-N 1 1 481.567 2.650 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295474828 1063483960 /nfs/dbraw/zinc/48/39/60/1063483960.db2.gz HVOUQKSPDZXCGI-ZRZAMGCNSA-N 1 1 486.709 2.950 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001291231320 1063485933 /nfs/dbraw/zinc/48/59/33/1063485933.db2.gz RQDRBBZZCWWTLV-GGPKGHCWSA-N 1 1 459.664 2.557 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 ZINC001291238654 1063507744 /nfs/dbraw/zinc/50/77/44/1063507744.db2.gz USSBEGIBEIMDOZ-QGZVFWFLSA-N 1 1 465.693 2.910 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242044 1063514755 /nfs/dbraw/zinc/51/47/55/1063514755.db2.gz WHVKMHJLFRFJQO-IEBWSBKVSA-N 1 1 475.638 2.549 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291248367 1063522527 /nfs/dbraw/zinc/52/25/27/1063522527.db2.gz PLOQGTPQRAWGGU-LFALDJFMSA-N 1 1 462.639 2.551 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251492 1063532406 /nfs/dbraw/zinc/53/24/06/1063532406.db2.gz IIDXSRQJOJDUJW-RTBURBONSA-N 1 1 482.695 2.960 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001291253146 1063535279 /nfs/dbraw/zinc/53/52/79/1063535279.db2.gz DSTMRLGBPMIMJN-QUCCMNQESA-N 1 1 461.632 2.698 20 0 JFADMO CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C[NH+](CC)CC)C[C@H]1C ZINC001295502444 1063536661 /nfs/dbraw/zinc/53/66/61/1063536661.db2.gz GDZATTGRFRWDMJ-DENIHFKCSA-N 1 1 453.635 2.650 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255533 1063544316 /nfs/dbraw/zinc/54/43/16/1063544316.db2.gz JKQODOOABUYMBR-QHAWAJNXSA-N 1 1 492.665 2.932 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001295515693 1063549578 /nfs/dbraw/zinc/54/95/78/1063549578.db2.gz FCMHQUHZINFPAF-YSIASYRMSA-N 1 1 459.664 2.762 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001295515689 1063549770 /nfs/dbraw/zinc/54/97/70/1063549770.db2.gz FCMHQUHZINFPAF-IHPCNDPISA-N 1 1 459.664 2.762 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001291259353 1063552207 /nfs/dbraw/zinc/55/22/07/1063552207.db2.gz QSQVEKQUMLUWIN-FUHWJXTLSA-N 1 1 480.455 2.683 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)CC2(CCOCC2)O1 ZINC001291259453 1063552930 /nfs/dbraw/zinc/55/29/30/1063552930.db2.gz SJXPUQBNBSTUNM-SFTDATJTSA-N 1 1 463.667 2.878 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291261382 1063556798 /nfs/dbraw/zinc/55/67/98/1063556798.db2.gz AKGAYVWEQSWQLU-OFNKIYASSA-N 1 1 458.626 2.895 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291264562 1063564021 /nfs/dbraw/zinc/56/40/21/1063564021.db2.gz FHDUHRHVGUWJPK-SJLPKXTDSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291264562 1063564049 /nfs/dbraw/zinc/56/40/49/1063564049.db2.gz FHDUHRHVGUWJPK-SJLPKXTDSA-N 1 1 468.524 2.531 20 0 JFADMO C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291274714 1063580756 /nfs/dbraw/zinc/58/07/56/1063580756.db2.gz GAYNAMYEMXPYKI-VSKRKVRLSA-N 1 1 471.719 2.923 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC001291275181 1063582360 /nfs/dbraw/zinc/58/23/60/1063582360.db2.gz NTHQHIVEQQIKGM-FGZHOGPDSA-N 1 1 470.662 2.787 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001291276970 1063588657 /nfs/dbraw/zinc/58/86/57/1063588657.db2.gz VOKQOWJNXAINOF-GOSISDBHSA-N 1 1 485.599 2.738 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291282309 1063612423 /nfs/dbraw/zinc/61/24/23/1063612423.db2.gz NMLJDTFZNUWBOP-GOSISDBHSA-N 1 1 458.582 2.785 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001295576075 1063614551 /nfs/dbraw/zinc/61/45/51/1063614551.db2.gz PFEDUWLBOJURMW-HOTGVXAUSA-N 1 1 493.584 2.652 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285325 1063626137 /nfs/dbraw/zinc/62/61/37/1063626137.db2.gz OXSCKSAYFJHBRA-YUMYIRISSA-N 1 1 490.693 2.755 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291285516 1063627001 /nfs/dbraw/zinc/62/70/01/1063627001.db2.gz SHSQXXFVXQWQJD-XMTFNYHQSA-N 1 1 461.529 2.642 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286309 1063630696 /nfs/dbraw/zinc/63/06/96/1063630696.db2.gz HDHKYTPQIQCMDP-PLACYPQZSA-N 1 1 492.665 2.716 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286726 1063633665 /nfs/dbraw/zinc/63/36/65/1063633665.db2.gz OAFITCHDEQIRLZ-OAQYLSRUSA-N 1 1 491.640 2.818 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286726 1063633676 /nfs/dbraw/zinc/63/36/76/1063633676.db2.gz OAFITCHDEQIRLZ-OAQYLSRUSA-N 1 1 491.640 2.818 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291287022 1063635178 /nfs/dbraw/zinc/63/51/78/1063635178.db2.gz STRNBCGPZWYNIN-MSOLQXFVSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291287022 1063635197 /nfs/dbraw/zinc/63/51/97/1063635197.db2.gz STRNBCGPZWYNIN-MSOLQXFVSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291287024 1063635240 /nfs/dbraw/zinc/63/52/40/1063635240.db2.gz STRNBCGPZWYNIN-ROUUACIJSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291287024 1063635255 /nfs/dbraw/zinc/63/52/55/1063635255.db2.gz STRNBCGPZWYNIN-ROUUACIJSA-N 1 1 498.031 2.963 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291287216 1063637994 /nfs/dbraw/zinc/63/79/94/1063637994.db2.gz XHNFRXCEBQPJTO-OAQYLSRUSA-N 1 1 493.656 2.761 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291287216 1063638004 /nfs/dbraw/zinc/63/80/04/1063638004.db2.gz XHNFRXCEBQPJTO-OAQYLSRUSA-N 1 1 493.656 2.761 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC001291287637 1063641270 /nfs/dbraw/zinc/64/12/70/1063641270.db2.gz FXGRXGRSBJOHIO-IEBWSBKVSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC001291287636 1063641414 /nfs/dbraw/zinc/64/14/14/1063641414.db2.gz FXGRXGRSBJOHIO-HKUYNNGSSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F ZINC001291287772 1063643128 /nfs/dbraw/zinc/64/31/28/1063643128.db2.gz HOTHTPVUPMDJMG-GOSISDBHSA-N 1 1 462.545 2.507 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCOCC1 ZINC001291287980 1063644965 /nfs/dbraw/zinc/64/49/65/1063644965.db2.gz LDFKTNQGRAJWNS-HXUWFJFHSA-N 1 1 468.646 2.860 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287939 1063645013 /nfs/dbraw/zinc/64/50/13/1063645013.db2.gz KKHOSEUUFWEIDY-KRWDZBQOSA-N 1 1 483.585 2.616 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F ZINC001291288116 1063646432 /nfs/dbraw/zinc/64/64/32/1063646432.db2.gz NFESSWXMOZOPCR-GOSISDBHSA-N 1 1 487.530 2.653 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC001291288119 1063646564 /nfs/dbraw/zinc/64/65/64/1063646564.db2.gz NGMSYKCDYSTNFP-MZNJEOGPSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288151 1063646657 /nfs/dbraw/zinc/64/66/57/1063646657.db2.gz NTGWHTNDJQXWIL-XARGGIHNSA-N 1 1 494.706 2.714 20 0 JFADMO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001291288377 1063647793 /nfs/dbraw/zinc/64/77/93/1063647793.db2.gz RGAFHJCBCSFCEK-VXKWHMMOSA-N 1 1 462.683 2.982 20 0 JFADMO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001291288375 1063647843 /nfs/dbraw/zinc/64/78/43/1063647843.db2.gz RGAFHJCBCSFCEK-FGZHOGPDSA-N 1 1 462.683 2.982 20 0 JFADMO C[C@H]1CN(Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288409 1063648406 /nfs/dbraw/zinc/64/84/06/1063648406.db2.gz RTPIUHOFNYLFJT-FQEVSTJZSA-N 1 1 450.635 2.977 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001291288420 1063649619 /nfs/dbraw/zinc/64/96/19/1063649619.db2.gz SDLKVIKCMGYTPV-NLFFAJNJSA-N 1 1 454.619 2.632 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O ZINC001291288749 1063652407 /nfs/dbraw/zinc/65/24/07/1063652407.db2.gz XXQYMBOPGDOFHD-IBGZPJMESA-N 1 1 488.683 2.580 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCN1CC(F)(F)F ZINC001291289168 1063654831 /nfs/dbraw/zinc/65/48/31/1063654831.db2.gz FQIDZTGUBNZBOJ-OALUTQOASA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291289745 1063658886 /nfs/dbraw/zinc/65/88/86/1063658886.db2.gz PGYUXFJKLZPPEA-HDICACEKSA-N 1 1 460.598 2.934 20 0 JFADMO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290077 1063662356 /nfs/dbraw/zinc/66/23/56/1063662356.db2.gz UTTJBHVAZVEXLQ-MOPGFXCFSA-N 1 1 483.583 2.857 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291290841 1063665444 /nfs/dbraw/zinc/66/54/44/1063665444.db2.gz GSOOVTAMQHRHPV-NSHGMRRFSA-N 1 1 462.639 2.512 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291291174 1063667400 /nfs/dbraw/zinc/66/74/00/1063667400.db2.gz LFUSKYUVAZTMNH-AFDCHOCNSA-N 1 1 492.665 2.631 20 0 JFADMO C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001291291338 1063670281 /nfs/dbraw/zinc/67/02/81/1063670281.db2.gz NHHJTODESFTRDF-VXKWHMMOSA-N 1 1 476.710 2.915 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291790 1063671859 /nfs/dbraw/zinc/67/18/59/1063671859.db2.gz UYFRDQOPGVFOJF-TZIWHRDSSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC001291291888 1063672597 /nfs/dbraw/zinc/67/25/97/1063672597.db2.gz VUTAKAKEZLLNRG-ZRGWGRIASA-N 1 1 480.535 2.782 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292083 1063673499 /nfs/dbraw/zinc/67/34/99/1063673499.db2.gz YQFQZSZZRHJFFT-RBUKOAKNSA-N 1 1 474.572 2.705 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291292240 1063675130 /nfs/dbraw/zinc/67/51/30/1063675130.db2.gz BCDBSCZEXGOGBT-HDICACEKSA-N 1 1 466.051 2.590 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291292240 1063675139 /nfs/dbraw/zinc/67/51/39/1063675139.db2.gz BCDBSCZEXGOGBT-HDICACEKSA-N 1 1 466.051 2.590 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291292883 1063679106 /nfs/dbraw/zinc/67/91/06/1063679106.db2.gz LBFSGKNJWIZSHI-BGYRXZFFSA-N 1 1 472.634 2.599 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291292951 1063680214 /nfs/dbraw/zinc/68/02/14/1063680214.db2.gz MGOBGFUASHGXIT-NRFANRHFSA-N 1 1 499.660 2.822 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC3CCCC3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291293051 1063680840 /nfs/dbraw/zinc/68/08/40/1063680840.db2.gz NYSAIQLIENHKDW-BGYRXZFFSA-N 1 1 460.667 2.992 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293117 1063681819 /nfs/dbraw/zinc/68/18/19/1063681819.db2.gz PHMZFJVUIVLFLC-OYRHEFFESA-N 1 1 470.662 2.914 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294076 1063687887 /nfs/dbraw/zinc/68/78/87/1063687887.db2.gz DVRIRIOZXQCKLR-YJBOKZPZSA-N 1 1 461.408 2.859 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001295646812 1063688385 /nfs/dbraw/zinc/68/83/85/1063688385.db2.gz MNLFQSOWFDBSAL-LJQANCHMSA-N 1 1 465.606 2.806 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295168 1063693344 /nfs/dbraw/zinc/69/33/44/1063693344.db2.gz VRDYDUUCDFUSCR-CRAIPNDOSA-N 1 1 482.448 2.815 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295651741 1063695338 /nfs/dbraw/zinc/69/53/38/1063695338.db2.gz LZTLJPMKOQAPOH-IBGZPJMESA-N 1 1 480.436 2.596 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001295659495 1063701099 /nfs/dbraw/zinc/70/10/99/1063701099.db2.gz DQDJPHRSDRVZKA-HXUWFJFHSA-N 1 1 452.607 2.909 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295668932 1063709230 /nfs/dbraw/zinc/70/92/30/1063709230.db2.gz QVLLHLKEDZAQBX-SANMLTNESA-N 1 1 481.645 2.981 20 0 JFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc2)CC1 ZINC001295683051 1063718492 /nfs/dbraw/zinc/71/84/92/1063718492.db2.gz IMLYKIUINHACAJ-GOSISDBHSA-N 1 1 454.518 2.838 20 0 JFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(N4C[C@@H](C)O[C@H](C)C4)ccn3)cc2)CC1 ZINC001295683491 1063719159 /nfs/dbraw/zinc/71/91/59/1063719159.db2.gz MPKMNNNCYKBAMW-RTBURBONSA-N 1 1 451.571 2.612 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001291307039 1063721239 /nfs/dbraw/zinc/72/12/39/1063721239.db2.gz LLTQIRMYYNTRME-HNNXBMFYSA-N 1 1 494.463 2.902 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCc1nccs1 ZINC001291307039 1063721264 /nfs/dbraw/zinc/72/12/64/1063721264.db2.gz LLTQIRMYYNTRME-HNNXBMFYSA-N 1 1 494.463 2.902 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291307593 1063724330 /nfs/dbraw/zinc/72/43/30/1063724330.db2.gz XFHGHRQPFNKUKJ-CABCVRRESA-N 1 1 467.401 2.640 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291307593 1063724338 /nfs/dbraw/zinc/72/43/38/1063724338.db2.gz XFHGHRQPFNKUKJ-CABCVRRESA-N 1 1 467.401 2.640 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308482 1063729331 /nfs/dbraw/zinc/72/93/31/1063729331.db2.gz NYOFFHALCAAODP-FPOVZHCZSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308482 1063729343 /nfs/dbraw/zinc/72/93/43/1063729343.db2.gz NYOFFHALCAAODP-FPOVZHCZSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001291308975 1063732791 /nfs/dbraw/zinc/73/27/91/1063732791.db2.gz WKMZPEBGMWPGFR-HNNXBMFYSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccn2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001291308975 1063732807 /nfs/dbraw/zinc/73/28/07/1063732807.db2.gz WKMZPEBGMWPGFR-HNNXBMFYSA-N 1 1 463.380 2.996 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295741435 1063749155 /nfs/dbraw/zinc/74/91/55/1063749155.db2.gz XVXVCCYLXRDOOT-IFMALSPDSA-N 1 1 469.634 2.597 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295741835 1063750266 /nfs/dbraw/zinc/75/02/66/1063750266.db2.gz CWXNIWHXDSOLEE-HUUJSLGLSA-N 1 1 451.608 2.898 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295741835 1063750278 /nfs/dbraw/zinc/75/02/78/1063750278.db2.gz CWXNIWHXDSOLEE-HUUJSLGLSA-N 1 1 451.608 2.898 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@H]1C ZINC001295743707 1063750934 /nfs/dbraw/zinc/75/09/34/1063750934.db2.gz XCKVDWNUTOCEBX-VQIMIIECSA-N 1 1 451.539 2.530 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@H]1C ZINC001295743707 1063750938 /nfs/dbraw/zinc/75/09/38/1063750938.db2.gz XCKVDWNUTOCEBX-VQIMIIECSA-N 1 1 451.539 2.530 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295770995 1063779439 /nfs/dbraw/zinc/77/94/39/1063779439.db2.gz BEUKQPMCLDKREI-RZUBCFFCSA-N 1 1 454.619 2.798 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001291335382 1063796308 /nfs/dbraw/zinc/79/63/08/1063796308.db2.gz PHHFKXWULHBEGB-IRLDBZIGSA-N 1 1 481.645 2.984 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291336427 1063799873 /nfs/dbraw/zinc/79/98/73/1063799873.db2.gz ICDOEVSRRBJJHL-KRWDZBQOSA-N 1 1 476.423 2.793 20 0 JFADMO CCN(CCCn1c(CC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC001295814380 1063814303 /nfs/dbraw/zinc/81/43/03/1063814303.db2.gz MEAWYAIFOCIVGN-FPOVZHCZSA-N 1 1 466.696 2.601 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001295816439 1063821922 /nfs/dbraw/zinc/82/19/22/1063821922.db2.gz WSHJVCMVWSRCPK-LJQANCHMSA-N 1 1 490.674 2.845 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001295816437 1063821944 /nfs/dbraw/zinc/82/19/44/1063821944.db2.gz WSHJVCMVWSRCPK-IBGZPJMESA-N 1 1 490.674 2.845 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)C1 ZINC001291341532 1063822483 /nfs/dbraw/zinc/82/24/83/1063822483.db2.gz FFHQJCOPAYACCZ-LJQANCHMSA-N 1 1 494.644 2.510 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001295819515 1063824137 /nfs/dbraw/zinc/82/41/37/1063824137.db2.gz OTEQSBOOLQPGDR-ZDUSSCGKSA-N 1 1 453.440 2.518 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001295820694 1063826157 /nfs/dbraw/zinc/82/61/57/1063826157.db2.gz GZMMXXCYXVUKNI-FQEVSTJZSA-N 1 1 492.632 2.551 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1)C1CC1 ZINC001295821542 1063827879 /nfs/dbraw/zinc/82/78/79/1063827879.db2.gz QBMHQWHKGKPOBA-UHFFFAOYSA-N 1 1 453.635 2.844 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1)C(C)C ZINC001295822545 1063829144 /nfs/dbraw/zinc/82/91/44/1063829144.db2.gz ACPCYGBAPSOOLV-UHFFFAOYSA-N 1 1 478.439 2.587 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295824892 1063832679 /nfs/dbraw/zinc/83/26/79/1063832679.db2.gz KHIFVWAEGIZKFR-NRFANRHFSA-N 1 1 479.647 2.706 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)CC[C@H]2C1)C(C)C ZINC001295825340 1063834079 /nfs/dbraw/zinc/83/40/79/1063834079.db2.gz VOHKESOYSLPKIA-INIZCTEOSA-N 1 1 464.412 2.577 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344820 1063834657 /nfs/dbraw/zinc/83/46/57/1063834657.db2.gz LLUZLXILXFTIBY-JTHBVZDNSA-N 1 1 486.636 2.860 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC001295825389 1063834890 /nfs/dbraw/zinc/83/48/90/1063834890.db2.gz XBMMUJKQPWQUMM-JOCHJYFZSA-N 1 1 491.434 2.902 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@]2(CCOC2)C1)C(C)C ZINC001295825534 1063834910 /nfs/dbraw/zinc/83/49/10/1063834910.db2.gz YOONVURZWSRSFR-FQEVSTJZSA-N 1 1 467.412 2.762 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344876 1063835145 /nfs/dbraw/zinc/83/51/45/1063835145.db2.gz MEQKSDFDVZSBNT-GOTSBHOMSA-N 1 1 498.672 2.729 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001295826964 1063835225 /nfs/dbraw/zinc/83/52/25/1063835225.db2.gz HKZOOJXHLMKKNH-CQSZACIVSA-N 1 1 488.477 2.877 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001295830068 1063842901 /nfs/dbraw/zinc/84/29/01/1063842901.db2.gz LDZAODKSIFFSAR-AZUAARDMSA-N 1 1 462.042 2.881 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](COC)C1)C(C)C ZINC001295830082 1063843632 /nfs/dbraw/zinc/84/36/32/1063843632.db2.gz LMDAGNAUKWOIKG-LJQANCHMSA-N 1 1 453.595 2.514 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1)C(C)C ZINC001295830330 1063844212 /nfs/dbraw/zinc/84/42/12/1063844212.db2.gz SRRPAQUKIBTETR-UHFFFAOYSA-N 1 1 466.652 2.827 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(N)=O)C1)CCC(F)(F)F ZINC001295830648 1063844944 /nfs/dbraw/zinc/84/49/44/1063844944.db2.gz QPXVGBZITOUCHI-OAHLLOKOSA-N 1 1 473.931 2.970 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC001295830773 1063845436 /nfs/dbraw/zinc/84/54/36/1063845436.db2.gz QSDWJTJQSKFSKI-KRWDZBQOSA-N 1 1 456.616 2.847 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295830748 1063845469 /nfs/dbraw/zinc/84/54/69/1063845469.db2.gz ZLWHOTRVFRIUNA-HNNXBMFYSA-N 1 1 454.497 2.836 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1)C(C)C ZINC001295831173 1063845845 /nfs/dbraw/zinc/84/58/45/1063845845.db2.gz VBJXTTJZVVWCPX-GHTZIAJQSA-N 1 1 453.595 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833702 1063848818 /nfs/dbraw/zinc/84/88/18/1063848818.db2.gz BYTFNOGBGLZADV-RDGATRHJSA-N 1 1 481.689 2.973 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](CC)C(C)C)CC1)S(C)(=O)=O ZINC001295834141 1063849857 /nfs/dbraw/zinc/84/98/57/1063849857.db2.gz QYQLEPQYQWUEFP-UHFFFAOYSA-N 1 1 462.664 2.926 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1)CCC(F)(F)F ZINC001295834148 1063849930 /nfs/dbraw/zinc/84/99/30/1063849930.db2.gz RBHQUZVKTJNBNV-QGZVFWFLSA-N 1 1 485.507 2.800 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCN1CCOC(C)(C)C1)C(C)C ZINC001295834370 1063850697 /nfs/dbraw/zinc/85/06/97/1063850697.db2.gz RNEDSIVCPBTVAL-UHFFFAOYSA-N 1 1 472.634 2.951 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001291348271 1063853548 /nfs/dbraw/zinc/85/35/48/1063853548.db2.gz GTJDGFPVYGHTMQ-XANJAXJYSA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1)C(C)C ZINC001295836716 1063854024 /nfs/dbraw/zinc/85/40/24/1063854024.db2.gz WMDGPSWRNIJEMO-UHFFFAOYSA-N 1 1 466.627 2.723 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1 ZINC001295837043 1063854580 /nfs/dbraw/zinc/85/45/80/1063854580.db2.gz HETCMPFZSMVNDS-UHFFFAOYSA-N 1 1 467.540 2.663 20 0 JFADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001291349755 1063856258 /nfs/dbraw/zinc/85/62/58/1063856258.db2.gz XCQYMPVUSLQNQD-SCTDSRPQSA-N 1 1 452.669 2.778 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)C(C)C ZINC001295838910 1063857876 /nfs/dbraw/zinc/85/78/76/1063857876.db2.gz NGFHIQRSVCBNKG-IBGZPJMESA-N 1 1 458.655 2.786 20 0 JFADMO CC[N@@H+](CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C ZINC001295841641 1063861536 /nfs/dbraw/zinc/86/15/36/1063861536.db2.gz MDLIRCDMGXLJPX-UHFFFAOYSA-N 1 1 473.647 2.628 20 0 JFADMO CCN(CCn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001295841699 1063861611 /nfs/dbraw/zinc/86/16/11/1063861611.db2.gz NXDQOVOJJWWJHG-KDURUIRLSA-N 1 1 488.637 2.538 20 0 JFADMO CCN(CCn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001295841699 1063861630 /nfs/dbraw/zinc/86/16/30/1063861630.db2.gz NXDQOVOJJWWJHG-KDURUIRLSA-N 1 1 488.637 2.538 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001291357989 1063864214 /nfs/dbraw/zinc/86/42/14/1063864214.db2.gz AUSGUDAITYFVFJ-QFQXNSOFSA-N 1 1 484.645 2.857 20 0 JFADMO CC[N@@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@](C)(OC)C1)C(C)C ZINC001295844931 1063864954 /nfs/dbraw/zinc/86/49/54/1063864954.db2.gz GSWXTDBNUPWNPQ-VWLOTQADSA-N 1 1 467.618 2.928 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1)CCC(F)(F)F ZINC001295845154 1063866253 /nfs/dbraw/zinc/86/62/53/1063866253.db2.gz JRYCXZJQJURLJW-ZWKOTPCHSA-N 1 1 472.556 2.899 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1)C(C)C ZINC001295845413 1063866690 /nfs/dbraw/zinc/86/66/90/1063866690.db2.gz MVNIIIXFSMPXSI-UHFFFAOYSA-N 1 1 481.692 2.552 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001295845281 1063866721 /nfs/dbraw/zinc/86/67/21/1063866721.db2.gz LLNLUFANPFCMKX-OAQYLSRUSA-N 1 1 473.666 2.625 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291359750 1063869232 /nfs/dbraw/zinc/86/92/32/1063869232.db2.gz LXFNWZREAQDDAD-IECBHUPTSA-N 1 1 461.582 2.877 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC001295846913 1063869465 /nfs/dbraw/zinc/86/94/65/1063869465.db2.gz ZWDQTWBJAZZNKG-SFHVURJKSA-N 1 1 461.998 2.688 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001295848436 1063872074 /nfs/dbraw/zinc/87/20/74/1063872074.db2.gz LUYSGMXVIQJJGR-UXHICEINSA-N 1 1 491.681 2.790 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295852679 1063877783 /nfs/dbraw/zinc/87/77/83/1063877783.db2.gz KYQDABZSJREJGL-GOSISDBHSA-N 1 1 496.628 2.515 20 0 JFADMO CC[N@@H+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H]2OCO[C@H]2C1)C(C)C ZINC001295852747 1063877806 /nfs/dbraw/zinc/87/78/06/1063877806.db2.gz LICARKIJIIMDGB-BGYRXZFFSA-N 1 1 478.638 2.684 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C(C)C ZINC001295854565 1063883312 /nfs/dbraw/zinc/88/33/12/1063883312.db2.gz JKLDBTSCKSKLGZ-UYAOXDASSA-N 1 1 464.010 2.613 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883339 /nfs/dbraw/zinc/88/33/39/1063883339.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 1 1 480.579 2.972 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001295854612 1063883442 /nfs/dbraw/zinc/88/34/42/1063883442.db2.gz KNSHMBDDKPVRGC-NRFANRHFSA-N 1 1 463.623 2.896 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)C(C)C ZINC001295854479 1063883543 /nfs/dbraw/zinc/88/35/43/1063883543.db2.gz IPAQOHDWTIVDDW-ZRZAMGCNSA-N 1 1 475.726 2.833 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883783 /nfs/dbraw/zinc/88/37/83/1063883783.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 1 1 480.579 2.972 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1CC1 ZINC001295855024 1063884760 /nfs/dbraw/zinc/88/47/60/1063884760.db2.gz CERWSVCXLWEVGK-FVJLSDCUSA-N 1 1 477.631 2.533 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295855612 1063885695 /nfs/dbraw/zinc/88/56/95/1063885695.db2.gz SZQHEYFXVOSIJV-QGZVFWFLSA-N 1 1 482.526 2.997 20 0 JFADMO CCN(c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295855576 1063885834 /nfs/dbraw/zinc/88/58/34/1063885834.db2.gz RPAQSOFFXJBAAE-QGZVFWFLSA-N 1 1 469.602 2.891 20 0 JFADMO CCN(CCn1c(Cc2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859074 1063889712 /nfs/dbraw/zinc/88/97/12/1063889712.db2.gz HTUGUPQWJOSPAI-SANMLTNESA-N 1 1 499.660 2.822 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C[C@H]1C)CCC(F)(F)F ZINC001295859362 1063890271 /nfs/dbraw/zinc/89/02/71/1063890271.db2.gz OFJCYHMRHSKLAL-QGZVFWFLSA-N 1 1 467.540 2.595 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)C[C@H]1C)CCC(F)(F)F ZINC001295860632 1063891936 /nfs/dbraw/zinc/89/19/36/1063891936.db2.gz HWOJUPOZYVZIAQ-QGZVFWFLSA-N 1 1 467.540 2.595 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)CC1)CCC(F)(F)F ZINC001295861733 1063893995 /nfs/dbraw/zinc/89/39/95/1063893995.db2.gz GWIMJOYNAOWTSS-UHFFFAOYSA-N 1 1 477.535 2.951 20 0 JFADMO CC[N@@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001295862390 1063894994 /nfs/dbraw/zinc/89/49/94/1063894994.db2.gz NLMHJAXHDWVXTF-IRLDBZIGSA-N 1 1 470.618 2.737 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1)C(C)C ZINC001295865189 1063896619 /nfs/dbraw/zinc/89/66/19/1063896619.db2.gz DWBXOVWPBJUBBR-UHFFFAOYSA-N 1 1 468.581 2.843 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@@H]2C1)C(C)C ZINC001295865479 1063897719 /nfs/dbraw/zinc/89/77/19/1063897719.db2.gz LDPPUSYKTNWWSJ-QFIPXVFZSA-N 1 1 456.635 2.725 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001295865733 1063898661 /nfs/dbraw/zinc/89/86/61/1063898661.db2.gz OVUFUBWPEDTSBW-UHFFFAOYSA-N 1 1 491.434 2.772 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295866115 1063899556 /nfs/dbraw/zinc/89/95/56/1063899556.db2.gz UROLUYBSZZBWDD-HSZRJFAPSA-N 1 1 479.622 2.742 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001295866319 1063900369 /nfs/dbraw/zinc/90/03/69/1063900369.db2.gz KBOODJPREUCGOW-NRFANRHFSA-N 1 1 458.582 2.848 20 0 JFADMO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867558 1063902800 /nfs/dbraw/zinc/90/28/00/1063902800.db2.gz VIISKUVMIPHRBQ-RBUKOAKNSA-N 1 1 477.654 2.576 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1)C(C)C ZINC001295867743 1063903239 /nfs/dbraw/zinc/90/32/39/1063903239.db2.gz XSMRRSAMIDJCHM-UHFFFAOYSA-N 1 1 453.639 2.988 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291375163 1063904644 /nfs/dbraw/zinc/90/46/44/1063904644.db2.gz WDQFYKWDPGFSKS-AREMUKBSSA-N 1 1 481.645 2.711 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C ZINC001295869513 1063906886 /nfs/dbraw/zinc/90/68/86/1063906886.db2.gz PKMNKVUELXZVFK-MOPGFXCFSA-N 1 1 477.654 2.747 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291376935 1063908153 /nfs/dbraw/zinc/90/81/53/1063908153.db2.gz DWQSFOBYEMGOCD-HHHXNRCGSA-N 1 1 498.672 2.769 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291376935 1063908159 /nfs/dbraw/zinc/90/81/59/1063908159.db2.gz DWQSFOBYEMGOCD-HHHXNRCGSA-N 1 1 498.672 2.769 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001295873341 1063910510 /nfs/dbraw/zinc/91/05/10/1063910510.db2.gz GGRNJUIJPUFBRA-IBGZPJMESA-N 1 1 463.648 2.945 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291378264 1063911486 /nfs/dbraw/zinc/91/14/86/1063911486.db2.gz DHXFINSSALKUBY-SQJMNOBHSA-N 1 1 457.619 2.793 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001295876394 1063914801 /nfs/dbraw/zinc/91/48/01/1063914801.db2.gz AJCDPIBKUSCKFW-QGZVFWFLSA-N 1 1 469.055 2.985 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001295876393 1063914831 /nfs/dbraw/zinc/91/48/31/1063914831.db2.gz AJCDPIBKUSCKFW-KRWDZBQOSA-N 1 1 469.055 2.985 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001295886416 1063933711 /nfs/dbraw/zinc/93/37/11/1063933711.db2.gz OSAOFFCSHHJMOO-HXUWFJFHSA-N 1 1 465.639 2.999 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295887282 1063935372 /nfs/dbraw/zinc/93/53/72/1063935372.db2.gz USHIJBUQIIATPH-WIYYLYMNSA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCC[N@H+]1CC ZINC001295887282 1063935384 /nfs/dbraw/zinc/93/53/84/1063935384.db2.gz USHIJBUQIIATPH-WIYYLYMNSA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295887279 1063935475 /nfs/dbraw/zinc/93/54/75/1063935475.db2.gz USHIJBUQIIATPH-RXVVDRJESA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295887279 1063935484 /nfs/dbraw/zinc/93/54/84/1063935484.db2.gz USHIJBUQIIATPH-RXVVDRJESA-N 1 1 477.631 2.536 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001295887674 1063935897 /nfs/dbraw/zinc/93/58/97/1063935897.db2.gz XWFCLRQATIBBSN-HXUWFJFHSA-N 1 1 456.616 2.822 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291390310 1063940823 /nfs/dbraw/zinc/94/08/23/1063940823.db2.gz WBGKNDJEXAQYBM-LEQUEVMJSA-N 1 1 468.646 2.731 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291393882 1063947385 /nfs/dbraw/zinc/94/73/85/1063947385.db2.gz QCGCQOHHBFVABX-SIBVEZHUSA-N 1 1 481.645 2.910 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291397455 1063954251 /nfs/dbraw/zinc/95/42/51/1063954251.db2.gz KPYGRCXARNBYRE-AOJNWGRGSA-N 1 1 478.726 2.895 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291397898 1063955373 /nfs/dbraw/zinc/95/53/73/1063955373.db2.gz QVZOINYSEOATMI-XIXAVDCQSA-N 1 1 489.686 2.688 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291397898 1063955383 /nfs/dbraw/zinc/95/53/83/1063955383.db2.gz QVZOINYSEOATMI-XIXAVDCQSA-N 1 1 489.686 2.688 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001291398314 1063956501 /nfs/dbraw/zinc/95/65/01/1063956501.db2.gz WNFOKSUYLWMNPK-UVPKRVSESA-N 1 1 494.681 2.914 20 0 JFADMO CCn1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC001295933538 1063985443 /nfs/dbraw/zinc/98/54/43/1063985443.db2.gz GYIFTYKEGMWDPK-NRFANRHFSA-N 1 1 467.618 2.896 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291418611 1063997884 /nfs/dbraw/zinc/99/78/84/1063997884.db2.gz ZXEZVJPVGYNZEO-YDLSIGKMSA-N 1 1 460.667 2.986 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCO[C@H]3c3cncc(Br)c3)CC2)CC1 ZINC001295951985 1064004034 /nfs/dbraw/zinc/00/40/34/1064004034.db2.gz RIMRSIHSZNHHRS-RTWAWAEBSA-N 1 1 465.436 2.939 20 0 JFADMO CC[C@@H](C)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291424230 1064006503 /nfs/dbraw/zinc/00/65/03/1064006503.db2.gz VJQZOVCBDPAANZ-XXBNENTESA-N 1 1 483.665 2.647 20 0 JFADMO CCn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001295962070 1064011582 /nfs/dbraw/zinc/01/15/82/1064011582.db2.gz ARLLURIXCUFULA-UHFFFAOYSA-N 1 1 482.633 2.866 20 0 JFADMO COc1cc(N)c(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1S(C)(=O)=O ZINC001295963668 1064012761 /nfs/dbraw/zinc/01/27/61/1064012761.db2.gz VEJMTSVMEQFCQH-UHFFFAOYSA-N 1 1 457.596 2.809 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291434712 1064015409 /nfs/dbraw/zinc/01/54/09/1064015409.db2.gz RZPHXKNGNXTAIL-NHCUHLMSSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291434712 1064015416 /nfs/dbraw/zinc/01/54/16/1064015416.db2.gz RZPHXKNGNXTAIL-NHCUHLMSSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291434712 1064015425 /nfs/dbraw/zinc/01/54/25/1064015425.db2.gz RZPHXKNGNXTAIL-NHCUHLMSSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CCC[NH+]1CCOCC1 ZINC001291445550 1064019486 /nfs/dbraw/zinc/01/94/86/1064019486.db2.gz OWHVEVDXESVGIT-OAQYLSRUSA-N 1 1 456.635 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295977316 1064023349 /nfs/dbraw/zinc/02/33/49/1064023349.db2.gz KDKZQANHOCOHOM-SJORKVTESA-N 1 1 480.548 2.622 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](F)COC)C[C@H]1C ZINC001295977325 1064023406 /nfs/dbraw/zinc/02/34/06/1064023406.db2.gz KERHOWAPXOVGOA-JTDSTZFVSA-N 1 1 466.989 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001295977590 1064023907 /nfs/dbraw/zinc/02/39/07/1064023907.db2.gz OTTYQWRDNIKROX-PMACEKPBSA-N 1 1 497.669 2.866 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C ZINC001295977507 1064023944 /nfs/dbraw/zinc/02/39/44/1064023944.db2.gz LGUMVHGXRBPWIX-RTBURBONSA-N 1 1 454.619 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001295977879 1064024535 /nfs/dbraw/zinc/02/45/35/1064024535.db2.gz LYIMZWPFTCGQLR-IXDOHACOSA-N 1 1 461.661 2.693 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001295977872 1064025046 /nfs/dbraw/zinc/02/50/46/1064025046.db2.gz QHKGHFWRVGQICH-GJZGRUSLSA-N 1 1 466.428 2.823 20 0 JFADMO CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978348 1064025481 /nfs/dbraw/zinc/02/54/81/1064025481.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 1 1 474.675 2.752 20 0 JFADMO CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978348 1064025489 /nfs/dbraw/zinc/02/54/89/1064025489.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 1 1 474.675 2.752 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001295978753 1064026161 /nfs/dbraw/zinc/02/61/61/1064026161.db2.gz LAFSFCZCLRCMLX-IRXDYDNUSA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001295978842 1064026981 /nfs/dbraw/zinc/02/69/81/1064026981.db2.gz TYGWXUYTTQGGAL-IEGUWTFLSA-N 1 1 463.648 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@@H]1C ZINC001295978800 1064027032 /nfs/dbraw/zinc/02/70/32/1064027032.db2.gz NOKONQYLABHLDF-OALUTQOASA-N 1 1 458.607 2.561 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@H]1C ZINC001295978806 1064027202 /nfs/dbraw/zinc/02/72/02/1064027202.db2.gz NOKONQYLABHLDF-RTBURBONSA-N 1 1 458.607 2.561 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001295979666 1064027903 /nfs/dbraw/zinc/02/79/03/1064027903.db2.gz WZVZOMRUBXKSSI-KBPBESRZSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001295979666 1064027912 /nfs/dbraw/zinc/02/79/12/1064027912.db2.gz WZVZOMRUBXKSSI-KBPBESRZSA-N 1 1 485.452 2.532 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001291470168 1064030678 /nfs/dbraw/zinc/03/06/78/1064030678.db2.gz MGZVJRHJVDYWSV-OTWHNJEPSA-N 1 1 450.628 2.863 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470312 1064031068 /nfs/dbraw/zinc/03/10/68/1064031068.db2.gz OETYNTBNONFPBI-NOXFTYBFSA-N 1 1 453.635 2.922 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001291470362 1064031126 /nfs/dbraw/zinc/03/11/26/1064031126.db2.gz PAIPPGVICKRYTR-LNLFQRSKSA-N 1 1 488.706 2.978 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@H]1C ZINC001295980714 1064031673 /nfs/dbraw/zinc/03/16/73/1064031673.db2.gz PRZBTTOQBBNWPV-QYZOEREBSA-N 1 1 487.674 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC(=O)N1CCCCCC1 ZINC001291470832 1064032070 /nfs/dbraw/zinc/03/20/70/1064032070.db2.gz WGBVPOPYNUCTLN-XJUOHMSHSA-N 1 1 487.693 2.573 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)Br ZINC001291470747 1064032105 /nfs/dbraw/zinc/03/21/05/1064032105.db2.gz USGOVTXETVCEDH-OFQRWUPVSA-N 1 1 477.398 2.768 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001295981458 1064032247 /nfs/dbraw/zinc/03/22/47/1064032247.db2.gz ACTDTPWPTCHGHR-DLBZAZTESA-N 1 1 455.994 2.968 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471094 1064033437 /nfs/dbraw/zinc/03/34/37/1064033437.db2.gz YWPJVZTVBLRQJC-VWPQPMDRSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295982145 1064034217 /nfs/dbraw/zinc/03/42/17/1064034217.db2.gz WKBPQGSGTJRQHI-HZPDHXFCSA-N 1 1 468.693 2.843 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001295982249 1064034689 /nfs/dbraw/zinc/03/46/89/1064034689.db2.gz WWSWNOCXGBVQTF-XVTZWQNCSA-N 1 1 458.607 2.551 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCOC2)C[C@@H]1C ZINC001295983091 1064037597 /nfs/dbraw/zinc/03/75/97/1064037597.db2.gz HFZYMLCBRIFVBN-GXZWQRSESA-N 1 1 482.398 2.917 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCOC2)C[C@@H]1C ZINC001295983096 1064037701 /nfs/dbraw/zinc/03/77/01/1064037701.db2.gz HFZYMLCBRIFVBN-VFCRVFHLSA-N 1 1 482.398 2.917 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291482677 1064038582 /nfs/dbraw/zinc/03/85/82/1064038582.db2.gz UHWIDTAOJWSADX-RBBKRZOGSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001295983533 1064039445 /nfs/dbraw/zinc/03/94/45/1064039445.db2.gz WTQIUMDBCUNFGW-KKUMJFAQSA-N 1 1 475.084 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)C[C@H]1C ZINC001295984094 1064040709 /nfs/dbraw/zinc/04/07/09/1064040709.db2.gz KXJUAFBWTIELQW-AQNXPRMDSA-N 1 1 472.634 2.602 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@](C)(O)CC)C[C@@H]1C ZINC001295984522 1064042379 /nfs/dbraw/zinc/04/23/79/1064042379.db2.gz ZEIFHNMETIPCJR-HKARXFIJSA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001295987170 1064043411 /nfs/dbraw/zinc/04/34/11/1064043411.db2.gz YXAMCTFPTYBICI-ZWKOTPCHSA-N 1 1 453.591 2.971 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001291490430 1064044836 /nfs/dbraw/zinc/04/48/36/1064044836.db2.gz TXJQMSDPIHBZLK-IPJJNNNSSA-N 1 1 488.599 2.746 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295991199 1064045862 /nfs/dbraw/zinc/04/58/62/1064045862.db2.gz AKKGORHZPLXMSJ-IRXDYDNUSA-N 1 1 489.621 2.840 20 0 JFADMO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295992044 1064046705 /nfs/dbraw/zinc/04/67/05/1064046705.db2.gz GEQZXNIUCPMJDO-PCCBWWKXSA-N 1 1 454.656 2.712 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001295992738 1064047246 /nfs/dbraw/zinc/04/72/46/1064047246.db2.gz FNIKRIOPJRCEKO-ROUUACIJSA-N 1 1 483.617 2.866 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001295992736 1064047277 /nfs/dbraw/zinc/04/72/77/1064047277.db2.gz FNIKRIOPJRCEKO-MSOLQXFVSA-N 1 1 483.617 2.866 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295993214 1064047818 /nfs/dbraw/zinc/04/78/18/1064047818.db2.gz GYLMURCTDTVQHS-CMKODMSKSA-N 1 1 472.638 2.997 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295993212 1064047888 /nfs/dbraw/zinc/04/78/88/1064047888.db2.gz GYLMURCTDTVQHS-BJLQDIEVSA-N 1 1 472.638 2.997 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001295993524 1064049200 /nfs/dbraw/zinc/04/92/00/1064049200.db2.gz IJRYMAOWPSTXNQ-IRXDYDNUSA-N 1 1 456.595 2.949 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001295993647 1064049392 /nfs/dbraw/zinc/04/93/92/1064049392.db2.gz DQSJOUHGOJDUDW-IRMYBRCSSA-N 1 1 488.702 2.710 20 0 JFADMO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295994666 1064050700 /nfs/dbraw/zinc/05/07/00/1064050700.db2.gz VURZKUFIVWVXCQ-PMACEKPBSA-N 1 1 462.664 2.844 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@@H]1C ZINC001295995187 1064051195 /nfs/dbraw/zinc/05/11/95/1064051195.db2.gz XPZYOUDDWQOGLR-HOTGVXAUSA-N 1 1 474.411 2.703 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996136 1064052212 /nfs/dbraw/zinc/05/22/12/1064052212.db2.gz MKTXNJGKWCMDDK-RTBURBONSA-N 1 1 499.685 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001295996488 1064052703 /nfs/dbraw/zinc/05/27/03/1064052703.db2.gz LIUBDGWNSNAECO-LNLFQRSKSA-N 1 1 459.591 2.775 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@@H]1C ZINC001295996943 1064053177 /nfs/dbraw/zinc/05/31/77/1064053177.db2.gz NSYVTKFXVRWOEK-ROUUACIJSA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295998187 1064055204 /nfs/dbraw/zinc/05/52/04/1064055204.db2.gz TWFFRMBVFIKFLU-ROUUACIJSA-N 1 1 460.627 2.902 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295998188 1064055330 /nfs/dbraw/zinc/05/53/30/1064055330.db2.gz TWFFRMBVFIKFLU-ZWKOTPCHSA-N 1 1 460.627 2.902 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001295998660 1064055732 /nfs/dbraw/zinc/05/57/32/1064055732.db2.gz XRUFSYRSGKBETI-UFYCRDLUSA-N 1 1 491.658 2.574 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291504742 1064056264 /nfs/dbraw/zinc/05/62/64/1064056264.db2.gz WFQPIKUSLVQNQE-FPOVZHCZSA-N 1 1 468.712 2.925 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296002736 1064057948 /nfs/dbraw/zinc/05/79/48/1064057948.db2.gz NSDYXNNRXZPDMM-ZJOUEHCJSA-N 1 1 495.594 2.836 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058271 /nfs/dbraw/zinc/05/82/71/1064058271.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 1 1 470.662 2.907 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003663 1064058988 /nfs/dbraw/zinc/05/89/88/1064058988.db2.gz VHXROIAJGRGEDF-QZTJIDSGSA-N 1 1 451.575 2.643 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)NCc1ccco1 ZINC001291510061 1064061306 /nfs/dbraw/zinc/06/13/06/1064061306.db2.gz OJBRQCMFXDZALH-FQEVSTJZSA-N 1 1 471.650 2.696 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007635 1064061367 /nfs/dbraw/zinc/06/13/67/1064061367.db2.gz FILVQVXZZJCZOS-RTBURBONSA-N 1 1 466.634 2.598 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001291510319 1064061909 /nfs/dbraw/zinc/06/19/09/1064061909.db2.gz SUPNSOKPMVHKLB-PZJWPPBQSA-N 1 1 459.683 2.701 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291510644 1064062333 /nfs/dbraw/zinc/06/23/33/1064062333.db2.gz ZSYSZDZMHNSZQQ-HXUWFJFHSA-N 1 1 469.678 2.842 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296009603 1064065298 /nfs/dbraw/zinc/06/52/98/1064065298.db2.gz HDSIVMFPBWTKHX-WOJBJXKFSA-N 1 1 475.659 2.909 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296009928 1064067620 /nfs/dbraw/zinc/06/76/20/1064067620.db2.gz NVBDUFSHGDYFGY-XQBPLPMBSA-N 1 1 475.707 2.910 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291514430 1064067653 /nfs/dbraw/zinc/06/76/53/1064067653.db2.gz SNBQGVRARBNONI-PKOBYXMFSA-N 1 1 454.685 2.820 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@H]1C ZINC001296010276 1064067932 /nfs/dbraw/zinc/06/79/32/1064067932.db2.gz AZXKJZCIWAKMOT-WTGUMLROSA-N 1 1 487.653 2.650 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291514641 1064067948 /nfs/dbraw/zinc/06/79/48/1064067948.db2.gz WSKHFEGCKFUUOJ-CTNGQTDRSA-N 1 1 483.665 2.605 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@@H]1C ZINC001296010274 1064068000 /nfs/dbraw/zinc/06/80/00/1064068000.db2.gz AZXKJZCIWAKMOT-LWYYNNOASA-N 1 1 487.653 2.650 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010349 1064068044 /nfs/dbraw/zinc/06/80/44/1064068044.db2.gz BIOUQXKKSRWIGD-MOPGFXCFSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@H]1C ZINC001296010349 1064068054 /nfs/dbraw/zinc/06/80/54/1064068054.db2.gz BIOUQXKKSRWIGD-MOPGFXCFSA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296011208 1064070171 /nfs/dbraw/zinc/07/01/71/1064070171.db2.gz UIVMAMFYJYYXCW-HZPDHXFCSA-N 1 1 459.545 2.650 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296011210 1064070517 /nfs/dbraw/zinc/07/05/17/1064070517.db2.gz UIVMAMFYJYYXCW-JKSUJKDBSA-N 1 1 459.545 2.650 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCOC2)C[C@H]1C ZINC001296011685 1064071530 /nfs/dbraw/zinc/07/15/30/1064071530.db2.gz QEZKSDQBFJJOFF-FSSWDIPSSA-N 1 1 459.639 2.502 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C ZINC001296012330 1064072619 /nfs/dbraw/zinc/07/26/19/1064072619.db2.gz JTXVYQPSYNTKPF-XQBPLPMBSA-N 1 1 470.618 2.564 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001296012573 1064073243 /nfs/dbraw/zinc/07/32/43/1064073243.db2.gz UAWAYJQVWWWMFD-OALUTQOASA-N 1 1 470.647 2.550 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296013619 1064074975 /nfs/dbraw/zinc/07/49/75/1064074975.db2.gz OIAVSHUQTYOLNI-UGTOYMOASA-N 1 1 476.666 2.760 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001296014520 1064075890 /nfs/dbraw/zinc/07/58/90/1064075890.db2.gz YCIVHOHWYKHTTD-MSOLQXFVSA-N 1 1 473.622 2.671 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001296015219 1064076856 /nfs/dbraw/zinc/07/68/56/1064076856.db2.gz ZVBQFGKTCVSMJK-YADHBBJMSA-N 1 1 478.645 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001296015228 1064077248 /nfs/dbraw/zinc/07/72/48/1064077248.db2.gz ZWFOXICTJOVXIO-ZJOUEHCJSA-N 1 1 454.619 2.999 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291538045 1064078986 /nfs/dbraw/zinc/07/89/86/1064078986.db2.gz LDWGTCASBWRJFI-DHLKQENFSA-N 1 1 481.689 2.962 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001291539689 1064081213 /nfs/dbraw/zinc/08/12/13/1064081213.db2.gz HYEYQYFUUHIHBE-AZUAARDMSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291541492 1064084426 /nfs/dbraw/zinc/08/44/26/1064084426.db2.gz GKLPMDHHLXJIQX-YUXAGFNASA-N 1 1 485.681 2.784 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291542347 1064085368 /nfs/dbraw/zinc/08/53/68/1064085368.db2.gz PWOXPZMTSWRBPY-JQVVWYNYSA-N 1 1 457.671 2.867 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001291550707 1064090069 /nfs/dbraw/zinc/09/00/69/1064090069.db2.gz VLUSZRRZNTYTQU-VQIMIIECSA-N 1 1 457.604 2.742 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296032962 1064090555 /nfs/dbraw/zinc/09/05/55/1064090555.db2.gz GVQUNUOHQNREEH-WFXMLNOXSA-N 1 1 479.622 2.912 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554058 1064090843 /nfs/dbraw/zinc/09/08/43/1064090843.db2.gz IGVWUJIVSIJGNR-CPJSRVTESA-N 1 1 454.619 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554058 1064090852 /nfs/dbraw/zinc/09/08/52/1064090852.db2.gz IGVWUJIVSIJGNR-CPJSRVTESA-N 1 1 454.619 2.799 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001296033166 1064091328 /nfs/dbraw/zinc/09/13/28/1064091328.db2.gz KNSOTCPDKVKIJW-UNMCSNQZSA-N 1 1 467.618 2.594 20 0 JFADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296033122 1064091423 /nfs/dbraw/zinc/09/14/23/1064091423.db2.gz JYNHMBVDIFVUHT-OALUTQOASA-N 1 1 458.582 2.958 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291561104 1064092229 /nfs/dbraw/zinc/09/22/29/1064092229.db2.gz QRGGKPPYNDZEJR-OAQYLSRUSA-N 1 1 459.683 2.658 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034433 1064093034 /nfs/dbraw/zinc/09/30/34/1064093034.db2.gz VCPZPTKLYHIGRO-RTWAWAEBSA-N 1 1 469.634 2.838 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001296034987 1064093860 /nfs/dbraw/zinc/09/38/60/1064093860.db2.gz ACBJPNBXXSHOKR-CABCVRRESA-N 1 1 479.398 2.855 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC)cc1OC ZINC001291566083 1064094109 /nfs/dbraw/zinc/09/41/09/1064094109.db2.gz BMASXCKBSPYOID-HXUWFJFHSA-N 1 1 484.645 2.992 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(OC)cc1OC ZINC001291566083 1064094114 /nfs/dbraw/zinc/09/41/14/1064094114.db2.gz BMASXCKBSPYOID-HXUWFJFHSA-N 1 1 484.645 2.992 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001291568403 1064095537 /nfs/dbraw/zinc/09/55/37/1064095537.db2.gz BFTCNITUZNVRNS-GOSISDBHSA-N 1 1 468.581 2.796 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCNC(=O)c1occc1C ZINC001291569900 1064096634 /nfs/dbraw/zinc/09/66/34/1064096634.db2.gz LAGWWJNRWXRAAW-LJQANCHMSA-N 1 1 482.633 2.959 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001291570431 1064097351 /nfs/dbraw/zinc/09/73/51/1064097351.db2.gz VRUXWJAFAUXNBF-JOCHJYFZSA-N 1 1 495.672 2.665 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001291570431 1064097356 /nfs/dbraw/zinc/09/73/56/1064097356.db2.gz VRUXWJAFAUXNBF-JOCHJYFZSA-N 1 1 495.672 2.665 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001291571061 1064097371 /nfs/dbraw/zinc/09/73/71/1064097371.db2.gz YOTUTNGPQKRNND-KRWDZBQOSA-N 1 1 464.565 2.566 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001291571061 1064097379 /nfs/dbraw/zinc/09/73/79/1064097379.db2.gz YOTUTNGPQKRNND-KRWDZBQOSA-N 1 1 464.565 2.566 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001296037880 1064097994 /nfs/dbraw/zinc/09/79/94/1064097994.db2.gz MOQHPIBYJWNETH-SJORKVTESA-N 1 1 462.545 2.980 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CC2)CC1 ZINC001291576315 1064099788 /nfs/dbraw/zinc/09/97/88/1064099788.db2.gz HZKZZGILZUVELA-UHFFFAOYSA-N 1 1 457.575 2.825 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296040384 1064100229 /nfs/dbraw/zinc/10/02/29/1064100229.db2.gz UUZXZFSHBDGNIB-FQEVSTJZSA-N 1 1 456.635 2.843 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296040385 1064100317 /nfs/dbraw/zinc/10/03/17/1064100317.db2.gz UUZXZFSHBDGNIB-HXUWFJFHSA-N 1 1 456.635 2.843 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001296040812 1064100826 /nfs/dbraw/zinc/10/08/26/1064100826.db2.gz XAFGBBUXEFQXHT-GOSISDBHSA-N 1 1 471.631 2.548 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001296040723 1064100853 /nfs/dbraw/zinc/10/08/53/1064100853.db2.gz WQZWYXWKPMAAKQ-LJQANCHMSA-N 1 1 470.618 2.786 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001296043794 1064103274 /nfs/dbraw/zinc/10/32/74/1064103274.db2.gz ADLXQRZDJPOONY-SJLPKXTDSA-N 1 1 452.024 2.812 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CCOC)C1 ZINC001296047030 1064107000 /nfs/dbraw/zinc/10/70/00/1064107000.db2.gz REFFRUNXCVEZDB-GOSISDBHSA-N 1 1 450.628 2.817 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001296048555 1064107855 /nfs/dbraw/zinc/10/78/55/1064107855.db2.gz XFCQHDDDWQJCAL-URVUXULASA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC001296048623 1064108385 /nfs/dbraw/zinc/10/83/85/1064108385.db2.gz XKELZJFGIVOFKI-IBGZPJMESA-N 1 1 454.619 2.877 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001296048950 1064109263 /nfs/dbraw/zinc/10/92/63/1064109263.db2.gz ZLIGOAZQUGNLSJ-WOJBJXKFSA-N 1 1 461.632 2.554 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1 ZINC001296049563 1064109590 /nfs/dbraw/zinc/10/95/90/1064109590.db2.gz JTNUHIDQCJWSEW-FPOVZHCZSA-N 1 1 453.635 2.737 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296050960 1064110887 /nfs/dbraw/zinc/11/08/87/1064110887.db2.gz WGFMBCIRBRNMFH-GOTSBHOMSA-N 1 1 468.646 2.766 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296051396 1064111406 /nfs/dbraw/zinc/11/14/06/1064111406.db2.gz FAKLIKYSJZSMGH-HXUWFJFHSA-N 1 1 470.618 2.512 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001296051724 1064112114 /nfs/dbraw/zinc/11/21/14/1064112114.db2.gz JSCRMAXXZZVHTM-ICSRJNTNSA-N 1 1 493.077 2.907 20 0 JFADMO CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296052123 1064112967 /nfs/dbraw/zinc/11/29/67/1064112967.db2.gz OILLIBQDGCSGTC-SFTDATJTSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296052222 1064113472 /nfs/dbraw/zinc/11/34/72/1064113472.db2.gz PABGEOVGRMKVID-HXUWFJFHSA-N 1 1 456.591 2.704 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(F)(F)F)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296054822 1064116410 /nfs/dbraw/zinc/11/64/10/1064116410.db2.gz DAYZEDXNBJUNSU-XQBPLPMBSA-N 1 1 488.599 2.733 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(F)(F)F)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296054821 1064116431 /nfs/dbraw/zinc/11/64/31/1064116431.db2.gz DAYZEDXNBJUNSU-IPJJNNNSSA-N 1 1 488.599 2.733 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296055222 1064116693 /nfs/dbraw/zinc/11/66/93/1064116693.db2.gz FJHLQFRYVZTOCB-ZWKOTPCHSA-N 1 1 484.605 2.513 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CNC(C)=O)CC2)C1 ZINC001296056794 1064118108 /nfs/dbraw/zinc/11/81/08/1064118108.db2.gz OZZFVDXBPPNUOM-YPAWHYETSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057147 1064118528 /nfs/dbraw/zinc/11/85/28/1064118528.db2.gz RWVRQRZKSVAPEZ-RTBURBONSA-N 1 1 477.654 2.642 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057145 1064118536 /nfs/dbraw/zinc/11/85/36/1064118536.db2.gz RWVRQRZKSVAPEZ-OALUTQOASA-N 1 1 477.654 2.642 20 0 JFADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC001291587879 1064119949 /nfs/dbraw/zinc/11/99/49/1064119949.db2.gz YCSDMSHUQHSPPQ-KRWDZBQOSA-N 1 1 458.584 2.936 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1 ZINC001296058529 1064120419 /nfs/dbraw/zinc/12/04/19/1064120419.db2.gz BUIUZNMGGWBTEF-WBVHZDCISA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccccc2F)CC1 ZINC001296058744 1064120998 /nfs/dbraw/zinc/12/09/98/1064120998.db2.gz CYVIFRWTJSJHLY-WOJBJXKFSA-N 1 1 460.598 2.952 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296058886 1064121022 /nfs/dbraw/zinc/12/10/22/1064121022.db2.gz DPMMCZFTDOQTHX-ICSRJNTNSA-N 1 1 491.036 2.851 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)CC1 ZINC001296059160 1064121790 /nfs/dbraw/zinc/12/17/90/1064121790.db2.gz BCWQCETWSNROPH-MRXNPFEDSA-N 1 1 482.448 2.769 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001296059513 1064122562 /nfs/dbraw/zinc/12/25/62/1064122562.db2.gz HNUWVUVTJIEITE-MSOLQXFVSA-N 1 1 462.545 2.993 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001296059923 1064123248 /nfs/dbraw/zinc/12/32/48/1064123248.db2.gz KYEAFVHQJOLJHC-QUCCMNQESA-N 1 1 461.632 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291590721 1064124694 /nfs/dbraw/zinc/12/46/94/1064124694.db2.gz SIYGKEKKQGAXKG-FGZHOGPDSA-N 1 1 475.682 2.876 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296060272 1064124850 /nfs/dbraw/zinc/12/48/50/1064124850.db2.gz LNAMUNHOAJKIML-MJGOQNOKSA-N 1 1 474.581 2.512 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296060281 1064124863 /nfs/dbraw/zinc/12/48/63/1064124863.db2.gz LNTJRDQZMVHPOY-YLJYHZDGSA-N 1 1 481.066 2.848 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296060461 1064125255 /nfs/dbraw/zinc/12/52/55/1064125255.db2.gz BMBQRMFSPIJVQZ-GOSISDBHSA-N 1 1 481.066 2.848 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291590980 1064125469 /nfs/dbraw/zinc/12/54/69/1064125469.db2.gz WFHAINFOIXAMKS-FCHUYYIVSA-N 1 1 475.682 2.734 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001296060550 1064125752 /nfs/dbraw/zinc/12/57/52/1064125752.db2.gz QXOICQCFVFDMRM-ZHALLVOQSA-N 1 1 479.647 2.704 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 ZINC001296060954 1064126253 /nfs/dbraw/zinc/12/62/53/1064126253.db2.gz TXMDXQKHJLEKOS-SFHVURJKSA-N 1 1 460.629 2.926 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291592818 1064127312 /nfs/dbraw/zinc/12/73/12/1064127312.db2.gz NEPMDCLAVFRADA-HYBUGGRVSA-N 1 1 494.706 2.914 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296061772 1064127655 /nfs/dbraw/zinc/12/76/55/1064127655.db2.gz QNMVUYQPTRWYJZ-LNRXMEIDSA-N 1 1 485.629 2.879 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001296062787 1064128691 /nfs/dbraw/zinc/12/86/91/1064128691.db2.gz PKUVYNKIAJAWRL-IBGZPJMESA-N 1 1 456.595 2.524 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(F)F)CC1 ZINC001296063046 1064129251 /nfs/dbraw/zinc/12/92/51/1064129251.db2.gz RXBWZFVXQMNNRT-KRWDZBQOSA-N 1 1 464.561 2.834 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001296063520 1064129490 /nfs/dbraw/zinc/12/94/90/1064129490.db2.gz WNEUQKNELULBFV-KRWDZBQOSA-N 1 1 455.504 2.847 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(F)(F)F ZINC001296063549 1064129515 /nfs/dbraw/zinc/12/95/15/1064129515.db2.gz WUTGBDQYEPPISG-AWEZNQCLSA-N 1 1 459.542 2.721 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC001296063592 1064129543 /nfs/dbraw/zinc/12/95/43/1064129543.db2.gz XBIDEELBOVXMBT-MOPGFXCFSA-N 1 1 460.627 2.689 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296063742 1064129969 /nfs/dbraw/zinc/12/99/69/1064129969.db2.gz YIDYBDXLOGTMTE-HKUYNNGSSA-N 1 1 471.631 2.613 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001291594447 1064130426 /nfs/dbraw/zinc/13/04/26/1064130426.db2.gz HWYACNKZCVIZDZ-YADHBBJMSA-N 1 1 497.688 2.848 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296064185 1064130818 /nfs/dbraw/zinc/13/08/18/1064130818.db2.gz ZTTBMOPLYCOWHH-ZCNNSNEGSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296066248 1064131736 /nfs/dbraw/zinc/13/17/36/1064131736.db2.gz BPPGKNDDCYTCAX-PKOBYXMFSA-N 1 1 477.654 2.577 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCCCO ZINC001296067968 1064133431 /nfs/dbraw/zinc/13/34/31/1064133431.db2.gz LYXIIRMWSTYVDK-VQTJNVASSA-N 1 1 480.654 2.670 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291598764 1064133813 /nfs/dbraw/zinc/13/38/13/1064133813.db2.gz CTCDAPQKAGIESS-VWPQPMDRSA-N 1 1 454.619 2.750 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001296068410 1064134431 /nfs/dbraw/zinc/13/44/31/1064134431.db2.gz ORFZDEVAUHTLTK-VWPQPMDRSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001296070631 1064135655 /nfs/dbraw/zinc/13/56/55/1064135655.db2.gz BZRNHNUYXKYYPU-PXNSSMCTSA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001296072384 1064136653 /nfs/dbraw/zinc/13/66/53/1064136653.db2.gz NAENECNEGYUFEE-FPOVZHCZSA-N 1 1 492.665 2.600 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296073649 1064139550 /nfs/dbraw/zinc/13/95/50/1064139550.db2.gz GGTDPGMWUJROHN-RBUKOAKNSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001296074035 1064139995 /nfs/dbraw/zinc/13/99/95/1064139995.db2.gz MDBMILSBZBMABH-QFIPXVFZSA-N 1 1 486.665 2.929 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001296073934 1064140057 /nfs/dbraw/zinc/14/00/57/1064140057.db2.gz LKKDLZFMDHCMAJ-VXKWHMMOSA-N 1 1 454.619 2.661 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001296074034 1064140092 /nfs/dbraw/zinc/14/00/92/1064140092.db2.gz MDBMILSBZBMABH-JOCHJYFZSA-N 1 1 486.665 2.929 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001296079129 1064146088 /nfs/dbraw/zinc/14/60/88/1064146088.db2.gz CFPHGZRFWDWAJT-KAGYGMCKSA-N 1 1 492.665 2.971 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291610787 1064148285 /nfs/dbraw/zinc/14/82/85/1064148285.db2.gz PRSWLYBBFOGAQQ-PMACEKPBSA-N 1 1 458.630 2.678 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296081480 1064149845 /nfs/dbraw/zinc/14/98/45/1064149845.db2.gz UYGALWIGKHDJPL-ZBFHGGJFSA-N 1 1 464.412 2.612 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001296082070 1064150348 /nfs/dbraw/zinc/15/03/48/1064150348.db2.gz ZZBLATWCVMRRKY-OAQYLSRUSA-N 1 1 456.639 2.656 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296083142 1064150898 /nfs/dbraw/zinc/15/08/98/1064150898.db2.gz DGODWOCHWISVCX-IBGZPJMESA-N 1 1 470.528 2.963 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCOC ZINC001296084623 1064151688 /nfs/dbraw/zinc/15/16/88/1064151688.db2.gz NGOHTSTVMFTRRI-SFHVURJKSA-N 1 1 463.652 2.585 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296084378 1064151702 /nfs/dbraw/zinc/15/17/02/1064151702.db2.gz MMWJGSAILJGSDK-IBGZPJMESA-N 1 1 478.638 2.724 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001296085261 1064153889 /nfs/dbraw/zinc/15/38/89/1064153889.db2.gz RQUAQXUBINYLSZ-FGZHOGPDSA-N 1 1 475.659 2.850 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296086991 1064155479 /nfs/dbraw/zinc/15/54/79/1064155479.db2.gz DMDCQDBZCMQAIF-HXUWFJFHSA-N 1 1 456.591 2.505 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296086990 1064155602 /nfs/dbraw/zinc/15/56/02/1064155602.db2.gz DMDCQDBZCMQAIF-FQEVSTJZSA-N 1 1 456.591 2.505 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296088882 1064158847 /nfs/dbraw/zinc/15/88/47/1064158847.db2.gz NCEXELVNSTXOEP-IEBWSBKVSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296088695 1064158953 /nfs/dbraw/zinc/15/89/53/1064158953.db2.gz VRKUWPRFVHJJMO-IBGZPJMESA-N 1 1 454.685 2.507 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620881 1064160392 /nfs/dbraw/zinc/16/03/92/1064160392.db2.gz LKKHYJAJDKWFRO-HXUWFJFHSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620881 1064160397 /nfs/dbraw/zinc/16/03/97/1064160397.db2.gz LKKHYJAJDKWFRO-HXUWFJFHSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620881 1064160400 /nfs/dbraw/zinc/16/04/00/1064160400.db2.gz LKKHYJAJDKWFRO-HXUWFJFHSA-N 1 1 459.683 2.799 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296089345 1064160531 /nfs/dbraw/zinc/16/05/31/1064160531.db2.gz OPPYJOYLOBMHCM-NRFANRHFSA-N 1 1 490.674 2.736 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296089364 1064160555 /nfs/dbraw/zinc/16/05/55/1064160555.db2.gz PDCBNSSLRJUCQU-WIYYLYMNSA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 ZINC001296090723 1064162579 /nfs/dbraw/zinc/16/25/79/1064162579.db2.gz WZKFCPSXGKTNRE-OAQYLSRUSA-N 1 1 472.634 2.605 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001296092077 1064164081 /nfs/dbraw/zinc/16/40/81/1064164081.db2.gz GBSWKMFHCAAIDK-IFMALSPDSA-N 1 1 487.693 2.652 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296093543 1064165567 /nfs/dbraw/zinc/16/55/67/1064165567.db2.gz OUDODCAKMOJWGV-NRFANRHFSA-N 1 1 492.665 2.648 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001296095039 1064167597 /nfs/dbraw/zinc/16/75/97/1064167597.db2.gz GMPUVHCRCFBKKU-ZCNNSNEGSA-N 1 1 489.665 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296095237 1064167656 /nfs/dbraw/zinc/16/76/56/1064167656.db2.gz FGXWVSRHZNIDJG-KSZLIROESA-N 1 1 475.556 2.770 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1=O ZINC001296096323 1064170139 /nfs/dbraw/zinc/17/01/39/1064170139.db2.gz NOWCSTAXJDOJHC-QFIPXVFZSA-N 1 1 468.646 2.925 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC(=O)NCC(F)(F)F ZINC001291628853 1064171205 /nfs/dbraw/zinc/17/12/05/1064171205.db2.gz KNDHZAQWQWLQIO-INIZCTEOSA-N 1 1 496.534 2.564 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001296098371 1064171241 /nfs/dbraw/zinc/17/12/41/1064171241.db2.gz XLGSAGGESTXRDY-AABGKKOBSA-N 1 1 489.665 2.891 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291631426 1064177769 /nfs/dbraw/zinc/17/77/69/1064177769.db2.gz VLXNLJLMOXPJPS-FCHUYYIVSA-N 1 1 461.699 2.902 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1=CCCOC1 ZINC001291631755 1064179258 /nfs/dbraw/zinc/17/92/58/1064179258.db2.gz QRFPJIPPCALIBP-RBBKRZOGSA-N 1 1 455.603 2.700 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001291632251 1064179740 /nfs/dbraw/zinc/17/97/40/1064179740.db2.gz LQWZPZVHGZWPGW-GMAHTHKFSA-N 1 1 467.662 2.572 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001291633183 1064182731 /nfs/dbraw/zinc/18/27/31/1064182731.db2.gz RELLRZAKOAMYAS-CWBXHPNXSA-N 1 1 473.710 2.950 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637116 1064184699 /nfs/dbraw/zinc/18/46/99/1064184699.db2.gz DFJWTOPNGIVJSP-UXHICEINSA-N 1 1 452.607 2.676 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001291638490 1064185659 /nfs/dbraw/zinc/18/56/59/1064185659.db2.gz IJKZDUZDUZSYLL-UGKGYDQZSA-N 1 1 475.659 2.686 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291639042 1064186818 /nfs/dbraw/zinc/18/68/18/1064186818.db2.gz OVGAZYWHTOASTP-TZIWHRDSSA-N 1 1 488.706 2.513 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001291640384 1064189482 /nfs/dbraw/zinc/18/94/82/1064189482.db2.gz RQAIQXONCQUIHG-CWBXHPNXSA-N 1 1 462.683 2.574 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001291641444 1064190927 /nfs/dbraw/zinc/19/09/27/1064190927.db2.gz CJLPERSPVWRMIX-NRFANRHFSA-N 1 1 471.650 2.619 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642590 1064192353 /nfs/dbraw/zinc/19/23/53/1064192353.db2.gz LPUHSATYTUDIJA-FGZHOGPDSA-N 1 1 484.693 2.534 20 0 JFADMO CCN1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001296113186 1064195089 /nfs/dbraw/zinc/19/50/89/1064195089.db2.gz QDCVPIOAJJPWKI-NRFANRHFSA-N 1 1 453.635 2.835 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cc[nH+]c2C)CC1=O ZINC001296116483 1064196376 /nfs/dbraw/zinc/19/63/76/1064196376.db2.gz FHNOJBHGHQMOGS-UHFFFAOYSA-N 1 1 451.575 2.738 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291644301 1064197285 /nfs/dbraw/zinc/19/72/85/1064197285.db2.gz WFRGQLDHDFEGBG-KJJMTIBFSA-N 1 1 480.723 2.611 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001296118683 1064201437 /nfs/dbraw/zinc/20/14/37/1064201437.db2.gz HBSGATWALGHSKK-NRFANRHFSA-N 1 1 459.683 2.656 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccncc4)n3CC(O)(CC)CC)CC2)CC1 ZINC001296118730 1064201966 /nfs/dbraw/zinc/20/19/66/1064201966.db2.gz IIFPUBIYXBBKNY-UHFFFAOYSA-N 1 1 497.688 2.586 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)SC)CC2)CC1 ZINC001296118805 1064202188 /nfs/dbraw/zinc/20/21/88/1064202188.db2.gz KJNHILXXOXYLDV-TZIWHRDSSA-N 1 1 478.707 2.694 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC4CCCC4)n3CC[S@](=O)CC)CC2)CC1 ZINC001296118945 1064202674 /nfs/dbraw/zinc/20/26/74/1064202674.db2.gz LXJOCSOLGJQBJG-UUWRZZSWSA-N 1 1 492.734 2.550 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3Cc3cc(F)ccc3OC)CC2)CC1 ZINC001296119366 1064204307 /nfs/dbraw/zinc/20/43/07/1064204307.db2.gz SEMPFYDAWZNBRO-UHFFFAOYSA-N 1 1 458.582 2.553 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(OC)cc3)n2CCCn2cc[nH+]c2C)CC1=O ZINC001296119930 1064207097 /nfs/dbraw/zinc/20/70/97/1064207097.db2.gz IHOQLEYQIUGFHX-UHFFFAOYSA-N 1 1 467.574 2.520 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120120 1064208165 /nfs/dbraw/zinc/20/81/65/1064208165.db2.gz FDPFJNAHVSPNBC-WOJBJXKFSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296120335 1064209390 /nfs/dbraw/zinc/20/93/90/1064209390.db2.gz HNYITWJQNJBMIR-MIZPHKNDSA-N 1 1 456.635 2.841 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291666814 1064211524 /nfs/dbraw/zinc/21/15/24/1064211524.db2.gz FAPFJKCQQMMGJF-IMBTUZDBSA-N 1 1 461.611 2.949 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121520 1064212669 /nfs/dbraw/zinc/21/26/69/1064212669.db2.gz PHRALWJEVPADTB-LJQANCHMSA-N 1 1 461.058 2.803 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122892 1064215842 /nfs/dbraw/zinc/21/58/42/1064215842.db2.gz ZVXRMMPBXQMZEZ-PMACEKPBSA-N 1 1 478.645 2.528 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291679978 1064216205 /nfs/dbraw/zinc/21/62/05/1064216205.db2.gz BXPSYUPHPTVQPW-UXHICEINSA-N 1 1 478.707 2.837 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124561 1064217465 /nfs/dbraw/zinc/21/74/65/1064217465.db2.gz IHOJCYVXDGDTAH-IBGZPJMESA-N 1 1 452.582 2.579 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124804 1064217629 /nfs/dbraw/zinc/21/76/29/1064217629.db2.gz JDFYGJZAXQNPMJ-WOJBJXKFSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125579 1064219617 /nfs/dbraw/zinc/21/96/17/1064219617.db2.gz MYBIKTKXAZAAOL-GOSISDBHSA-N 1 1 474.053 2.587 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126101 1064220097 /nfs/dbraw/zinc/22/00/97/1064220097.db2.gz PNXUHKCWFSRVLL-OAHLLOKOSA-N 1 1 454.497 2.698 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296126464 1064220732 /nfs/dbraw/zinc/22/07/32/1064220732.db2.gz QKPMUZBDWAGCID-RBUKOAKNSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126840 1064220826 /nfs/dbraw/zinc/22/08/26/1064220826.db2.gz RWIZWZLBNPTKTF-GOSISDBHSA-N 1 1 462.042 2.587 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127625 1064221960 /nfs/dbraw/zinc/22/19/60/1064221960.db2.gz VQXHGYICBZJENI-HXUWFJFHSA-N 1 1 481.645 2.926 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130052 1064223791 /nfs/dbraw/zinc/22/37/91/1064223791.db2.gz BDGHESDDPJNPLB-GOSISDBHSA-N 1 1 454.648 2.691 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130808 1064224696 /nfs/dbraw/zinc/22/46/96/1064224696.db2.gz GMCLSZAXOGXBMS-LJQANCHMSA-N 1 1 455.582 2.954 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131186 1064225155 /nfs/dbraw/zinc/22/51/55/1064225155.db2.gz HZBKQZPBYQEOET-OALUTQOASA-N 1 1 488.633 2.602 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001296131537 1064226014 /nfs/dbraw/zinc/22/60/14/1064226014.db2.gz LMVIIOFPIJDLKQ-GOSISDBHSA-N 1 1 474.053 2.985 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131732 1064226361 /nfs/dbraw/zinc/22/63/61/1064226361.db2.gz LRABRJZOWDRNAV-JKSUJKDBSA-N 1 1 487.596 2.920 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001296131985 1064227894 /nfs/dbraw/zinc/22/78/94/1064227894.db2.gz PHLRCKKXEUUTSK-HSZRJFAPSA-N 1 1 495.716 2.784 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296132030 1064228010 /nfs/dbraw/zinc/22/80/10/1064228010.db2.gz QCNAZZJVARMFKQ-PXNSSMCTSA-N 1 1 484.542 2.802 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296132031 1064228474 /nfs/dbraw/zinc/22/84/74/1064228474.db2.gz QCNAZZJVARMFKQ-XLIONFOSSA-N 1 1 484.542 2.802 20 0 JFADMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)cc1 ZINC001291723047 1064229102 /nfs/dbraw/zinc/22/91/02/1064229102.db2.gz UWRITBMXPWZNSJ-HSZRJFAPSA-N 1 1 456.612 2.532 20 0 JFADMO CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)cc1 ZINC001291723047 1064229110 /nfs/dbraw/zinc/22/91/10/1064229110.db2.gz UWRITBMXPWZNSJ-HSZRJFAPSA-N 1 1 456.612 2.532 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291723645 1064229459 /nfs/dbraw/zinc/22/94/59/1064229459.db2.gz XVLIXGHIKSYJNM-ACRUOGEOSA-N 1 1 494.681 2.916 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296132436 1064230229 /nfs/dbraw/zinc/23/02/29/1064230229.db2.gz UDDJICTYQNFPDO-UNMCSNQZSA-N 1 1 455.651 2.541 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296132975 1064232637 /nfs/dbraw/zinc/23/26/37/1064232637.db2.gz YATWHBQPKWNWKM-FQEVSTJZSA-N 1 1 450.672 2.525 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296132976 1064232729 /nfs/dbraw/zinc/23/27/29/1064232729.db2.gz YATWHBQPKWNWKM-HXUWFJFHSA-N 1 1 450.672 2.525 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296133383 1064233540 /nfs/dbraw/zinc/23/35/40/1064233540.db2.gz TXTJQLGFGWDREA-NHTMILBNSA-N 1 1 470.662 2.676 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291751874 1064234790 /nfs/dbraw/zinc/23/47/90/1064234790.db2.gz GNKQDGGGGGPGQT-SFHVURJKSA-N 1 1 477.654 2.738 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134301 1064235262 /nfs/dbraw/zinc/23/52/62/1064235262.db2.gz XYUCCZYGMOHPHP-VXKWHMMOSA-N 1 1 455.651 2.662 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134381 1064235706 /nfs/dbraw/zinc/23/57/06/1064235706.db2.gz OJZRVCXDSRZDSC-AZUAARDMSA-N 1 1 499.626 2.542 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134382 1064235830 /nfs/dbraw/zinc/23/58/30/1064235830.db2.gz OJZRVCXDSRZDSC-ICSRJNTNSA-N 1 1 499.626 2.542 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001291754363 1064236258 /nfs/dbraw/zinc/23/62/58/1064236258.db2.gz SJEUPTAMZGRXNF-LEWJYISDSA-N 1 1 487.693 2.719 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134941 1064237990 /nfs/dbraw/zinc/23/79/90/1064237990.db2.gz TUHQUROUDRTMRG-WIOPSUGQSA-N 1 1 472.682 2.561 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291758615 1064238574 /nfs/dbraw/zinc/23/85/74/1064238574.db2.gz ASWNTNMETHHPDQ-UYAOXDASSA-N 1 1 469.590 2.518 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001291758712 1064238599 /nfs/dbraw/zinc/23/85/99/1064238599.db2.gz BTYJLIOAUKCBID-KRWDZBQOSA-N 1 1 463.577 2.751 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291759091 1064239377 /nfs/dbraw/zinc/23/93/77/1064239377.db2.gz CKJCLTBAIWCHSE-QGZVFWFLSA-N 1 1 472.590 2.771 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001291759457 1064239638 /nfs/dbraw/zinc/23/96/38/1064239638.db2.gz FRALZYGOYJYRFV-ZIAGYGMSSA-N 1 1 454.417 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001291761373 1064242686 /nfs/dbraw/zinc/24/26/86/1064242686.db2.gz UZYBAMCVVNTSFN-FQEVSTJZSA-N 1 1 462.664 2.784 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001291761374 1064242708 /nfs/dbraw/zinc/24/27/08/1064242708.db2.gz UZYBAMCVVNTSFN-HXUWFJFHSA-N 1 1 462.664 2.784 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001291761975 1064242817 /nfs/dbraw/zinc/24/28/17/1064242817.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 1 1 496.498 2.933 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001291761975 1064242827 /nfs/dbraw/zinc/24/28/27/1064242827.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 1 1 496.498 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC001296138343 1064244770 /nfs/dbraw/zinc/24/47/70/1064244770.db2.gz VAUMCDPFUCABCW-GOSISDBHSA-N 1 1 464.618 2.798 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291764420 1064245034 /nfs/dbraw/zinc/24/50/34/1064245034.db2.gz CPAHPLOBVYBTHJ-QGZVFWFLSA-N 1 1 479.647 2.706 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291764006 1064245083 /nfs/dbraw/zinc/24/50/83/1064245083.db2.gz AGBMOSMMNXZRAQ-XDHUDOTRSA-N 1 1 458.607 2.655 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001291765271 1064245815 /nfs/dbraw/zinc/24/58/15/1064245815.db2.gz JXYLZFCJQCOMIJ-IBGZPJMESA-N 1 1 487.649 2.933 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001291765880 1064247213 /nfs/dbraw/zinc/24/72/13/1064247213.db2.gz QZAZVPLUGDOZAH-OALUTQOASA-N 1 1 462.042 2.882 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2sc(C)nc2C)C[C@@H]1C ZINC001296141795 1064247606 /nfs/dbraw/zinc/24/76/06/1064247606.db2.gz ADQAPLKNAPYUFD-HNNXBMFYSA-N 1 1 454.604 2.772 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1C ZINC001296142130 1064248641 /nfs/dbraw/zinc/24/86/41/1064248641.db2.gz JOMTYSIFARWYKE-RTBURBONSA-N 1 1 473.622 2.674 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H](OC)C2CC2)C[C@H]1C ZINC001296142182 1064249053 /nfs/dbraw/zinc/24/90/53/1064249053.db2.gz KIKGBFIRAZPDGJ-IERDGZPVSA-N 1 1 459.591 2.926 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001291767891 1064249747 /nfs/dbraw/zinc/24/97/47/1064249747.db2.gz OWSAJQKNDUVKPV-NHCUHLMSSA-N 1 1 467.662 2.773 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001296143121 1064250425 /nfs/dbraw/zinc/25/04/25/1064250425.db2.gz FYYJXPXJPJWZQX-QUCCMNQESA-N 1 1 478.663 2.505 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 ZINC001291768513 1064250801 /nfs/dbraw/zinc/25/08/01/1064250801.db2.gz XAVCXDSLNVRJOP-OAHLLOKOSA-N 1 1 470.437 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@H]1C ZINC001296142729 1064250968 /nfs/dbraw/zinc/25/09/68/1064250968.db2.gz MSSOYWCCVZAHSB-BWKNWUBXSA-N 1 1 476.666 2.642 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 ZINC001291768562 1064251107 /nfs/dbraw/zinc/25/11/07/1064251107.db2.gz XXJUMLMZURCTDK-INIZCTEOSA-N 1 1 454.579 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@](C)=O)cc2)C[C@H]1C ZINC001296143060 1064251606 /nfs/dbraw/zinc/25/16/06/1064251606.db2.gz OZHJGQODKVZZPI-KSCOGFBUSA-N 1 1 489.686 2.776 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251964 /nfs/dbraw/zinc/25/19/64/1064251964.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 1 1 472.037 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251973 /nfs/dbraw/zinc/25/19/73/1064251973.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 1 1 472.037 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296143385 1064252114 /nfs/dbraw/zinc/25/21/14/1064252114.db2.gz PSNUFOJDCBXGMB-HKUYNNGSSA-N 1 1 477.679 2.748 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771236 1064253004 /nfs/dbraw/zinc/25/30/04/1064253004.db2.gz DAGYTRHWMYVFTD-JTHBVZDNSA-N 1 1 495.672 2.631 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771393 1064253851 /nfs/dbraw/zinc/25/38/51/1064253851.db2.gz DNSZFLABLHHVAD-OXQOHEQNSA-N 1 1 461.561 2.564 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291771401 1064254396 /nfs/dbraw/zinc/25/43/96/1064254396.db2.gz DOWWTBWVFJGBDF-RBUKOAKNSA-N 1 1 494.644 2.633 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296145574 1064255725 /nfs/dbraw/zinc/25/57/25/1064255725.db2.gz FVGZDAXSVWJDJO-NSHDSACASA-N 1 1 495.369 2.978 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001291772832 1064256710 /nfs/dbraw/zinc/25/67/10/1064256710.db2.gz CQFUEQZBNGJLLI-SZMVWBNQSA-N 1 1 459.607 2.782 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296146653 1064257347 /nfs/dbraw/zinc/25/73/47/1064257347.db2.gz LFKGTYJHCZYNLK-SFHVURJKSA-N 1 1 464.618 2.926 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCOC[C@@H]1C ZINC001291773215 1064257852 /nfs/dbraw/zinc/25/78/52/1064257852.db2.gz TVIKDSAOZYZKHU-ROUUACIJSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCOC[C@H]1C ZINC001291773214 1064257922 /nfs/dbraw/zinc/25/79/22/1064257922.db2.gz TVIKDSAOZYZKHU-QZTJIDSGSA-N 1 1 453.591 2.630 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001291773579 1064258835 /nfs/dbraw/zinc/25/88/35/1064258835.db2.gz HZDGYHXERNWEFC-NYUBLWNDSA-N 1 1 479.647 2.779 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001291773585 1064258864 /nfs/dbraw/zinc/25/88/64/1064258864.db2.gz HZDGYHXERNWEFC-UGNRZPKXSA-N 1 1 479.647 2.779 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001291773645 1064258913 /nfs/dbraw/zinc/25/89/13/1064258913.db2.gz VEFKXLAMCBTTNQ-LQWHRVPQSA-N 1 1 467.618 2.784 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258972 /nfs/dbraw/zinc/25/89/72/1064258972.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 1 1 482.681 2.662 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258981 /nfs/dbraw/zinc/25/89/81/1064258981.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 1 1 482.681 2.662 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001296148229 1064259356 /nfs/dbraw/zinc/25/93/56/1064259356.db2.gz UOIOXNAWKWYOPV-FPYOTAMTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001296148229 1064259361 /nfs/dbraw/zinc/25/93/61/1064259361.db2.gz UOIOXNAWKWYOPV-FPYOTAMTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001291773649 1064259476 /nfs/dbraw/zinc/25/94/76/1064259476.db2.gz VEFKXLAMCBTTNQ-WFXMLNOXSA-N 1 1 467.618 2.784 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291773782 1064260354 /nfs/dbraw/zinc/26/03/54/1064260354.db2.gz JSWRATVPAPKENV-UYAOXDASSA-N 1 1 458.582 2.614 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774048 1064260841 /nfs/dbraw/zinc/26/08/41/1064260841.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774048 1064260850 /nfs/dbraw/zinc/26/08/50/1064260850.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291774081 1064261741 /nfs/dbraw/zinc/26/17/41/1064261741.db2.gz LFPQNZLULWEAQQ-IBGZPJMESA-N 1 1 485.681 2.533 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(CC)C1 ZINC001291774044 1064261814 /nfs/dbraw/zinc/26/18/14/1064261814.db2.gz XDHWTKGFGHTZCF-IQGLISFBSA-N 1 1 467.618 2.928 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296149824 1064262002 /nfs/dbraw/zinc/26/20/02/1064262002.db2.gz LBAOQKQKPFMHDY-AZUAARDMSA-N 1 1 470.618 2.751 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001296151134 1064262360 /nfs/dbraw/zinc/26/23/60/1064262360.db2.gz UBAPJLAKBHBBQC-ICSRJNTNSA-N 1 1 459.591 2.688 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)c2ccco2)C[C@H]1C ZINC001296150589 1064262390 /nfs/dbraw/zinc/26/23/90/1064262390.db2.gz ONBHJSKJMOCGLC-OSPHWJPCSA-N 1 1 455.559 2.993 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001291774387 1064262555 /nfs/dbraw/zinc/26/25/55/1064262555.db2.gz MWUJXDPLWIQHDY-ZGXWSNOMSA-N 1 1 478.638 2.684 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCO[C@H]2CCOC2)C[C@H]1C ZINC001296151135 1064262979 /nfs/dbraw/zinc/26/29/79/1064262979.db2.gz UBAPJLAKBHBBQC-QUCCMNQESA-N 1 1 459.591 2.688 20 0 JFADMO CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001296153690 1064263357 /nfs/dbraw/zinc/26/33/57/1064263357.db2.gz CWPRQRUPRKUBGM-NRFANRHFSA-N 1 1 465.646 2.997 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](COC)OC)C[C@H]1C ZINC001296153454 1064263440 /nfs/dbraw/zinc/26/34/40/1064263440.db2.gz BJDIAQWPYOQHKO-CVEARBPZSA-N 1 1 452.397 2.899 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001296154080 1064263836 /nfs/dbraw/zinc/26/38/36/1064263836.db2.gz BCVANBAWIFEQIY-MOPGFXCFSA-N 1 1 453.591 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296153867 1064263923 /nfs/dbraw/zinc/26/39/23/1064263923.db2.gz FMQSEMRRENTZKH-ZDUSSCGKSA-N 1 1 471.350 2.619 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2C[C@H](C)SC)c2ccccc2c1=O ZINC001296154244 1064264387 /nfs/dbraw/zinc/26/43/87/1064264387.db2.gz CDPJAFSWDLFUIB-IRXDYDNUSA-N 1 1 455.632 2.957 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001296154099 1064264517 /nfs/dbraw/zinc/26/45/17/1064264517.db2.gz BNHJVNJNUZONSL-LJQANCHMSA-N 1 1 468.627 2.825 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775340 1064264507 /nfs/dbraw/zinc/26/45/07/1064264507.db2.gz WIFFHQFKDKQGBO-ROUUACIJSA-N 1 1 451.612 2.994 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001291775368 1064264534 /nfs/dbraw/zinc/26/45/34/1064264534.db2.gz WMKOOOQNVMNNDV-IRLDBZIGSA-N 1 1 486.636 2.933 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 ZINC001291775763 1064264550 /nfs/dbraw/zinc/26/45/50/1064264550.db2.gz ZIKPNQQBTVVMAE-XLIONFOSSA-N 1 1 464.561 2.908 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775804 1064264927 /nfs/dbraw/zinc/26/49/27/1064264927.db2.gz ZQLPQOSHARDIQV-XMSQKQJNSA-N 1 1 491.658 2.924 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291776998 1064265313 /nfs/dbraw/zinc/26/53/13/1064265313.db2.gz APSFUSVBUDJHBG-XZOQPEGZSA-N 1 1 496.704 2.517 20 0 JFADMO CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296154505 1064265384 /nfs/dbraw/zinc/26/53/84/1064265384.db2.gz GOGXMXLPJCIOGH-HXUWFJFHSA-N 1 1 490.722 2.887 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001296154473 1064265565 /nfs/dbraw/zinc/26/55/65/1064265565.db2.gz FWCRCAUSZHTXJM-YOEHRIQHSA-N 1 1 452.481 2.707 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778134 1064266262 /nfs/dbraw/zinc/26/62/62/1064266262.db2.gz HUGUSDBIBKSGAG-WOJBJXKFSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291778323 1064266325 /nfs/dbraw/zinc/26/63/25/1064266325.db2.gz HZQSFSPYGUZMBP-FXAWDEMLSA-N 1 1 451.612 2.752 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291778341 1064266348 /nfs/dbraw/zinc/26/63/48/1064266348.db2.gz IFAAFNHZJNLBLM-IBGZPJMESA-N 1 1 452.582 2.855 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291778409 1064266364 /nfs/dbraw/zinc/26/63/64/1064266364.db2.gz JHOWJNGERPAOKN-FQEVSTJZSA-N 1 1 477.613 2.662 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001296154806 1064266465 /nfs/dbraw/zinc/26/64/65/1064266465.db2.gz KGARZUDPMOFPRH-GFCCVEGCSA-N 1 1 469.903 2.720 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@@H]1C ZINC001296154965 1064266488 /nfs/dbraw/zinc/26/64/88/1064266488.db2.gz LTJMWVLCGQUQGL-LPHOPBHVSA-N 1 1 480.535 2.887 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291778707 1064266788 /nfs/dbraw/zinc/26/67/88/1064266788.db2.gz KUOITKPNVCPEKE-SFHVURJKSA-N 1 1 480.654 2.599 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn32)CC1 ZINC001291778763 1064266875 /nfs/dbraw/zinc/26/68/75/1064266875.db2.gz LWLFGAZBEASJQD-SFHVURJKSA-N 1 1 468.654 2.670 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001296155306 1064267009 /nfs/dbraw/zinc/26/70/09/1064267009.db2.gz NWTJZTSGPQINCW-CYBMUJFWSA-N 1 1 452.510 2.984 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@@H]1C ZINC001296155721 1064267565 /nfs/dbraw/zinc/26/75/65/1064267565.db2.gz SADNMWUNJFGWOY-RXVVDRJESA-N 1 1 467.618 2.793 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@H]1C ZINC001296155723 1064267667 /nfs/dbraw/zinc/26/76/67/1064267667.db2.gz SADNMWUNJFGWOY-WIYYLYMNSA-N 1 1 467.618 2.793 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291781303 1064268412 /nfs/dbraw/zinc/26/84/12/1064268412.db2.gz DIIKHMYVAHTWDN-UYAOXDASSA-N 1 1 461.680 2.523 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296156109 1064268617 /nfs/dbraw/zinc/26/86/17/1064268617.db2.gz SPDSKTOIPVDNEG-UZLBHIALSA-N 1 1 458.561 2.790 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291781430 1064268820 /nfs/dbraw/zinc/26/88/20/1064268820.db2.gz ZVXLSCSPPRDHJS-YVWKXTFCSA-N 1 1 464.010 2.613 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269288 /nfs/dbraw/zinc/26/92/88/1064269288.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269298 /nfs/dbraw/zinc/26/92/98/1064269298.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 1 1 491.681 2.601 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001291781978 1064269626 /nfs/dbraw/zinc/26/96/26/1064269626.db2.gz KHPSVWRUVCAHMI-FQEVSTJZSA-N 1 1 477.613 2.662 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001291782029 1064270059 /nfs/dbraw/zinc/27/00/59/1064270059.db2.gz LJHGSTIRWRYZPB-UNMCSNQZSA-N 1 1 453.635 2.740 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001296157572 1064270484 /nfs/dbraw/zinc/27/04/84/1064270484.db2.gz ZRYAUUDRPJVFKR-HNNXBMFYSA-N 1 1 462.480 2.650 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296157843 1064271350 /nfs/dbraw/zinc/27/13/50/1064271350.db2.gz FYBILXFYIXGGCR-FPOVZHCZSA-N 1 1 456.639 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](COC)OC)C[C@H]1C ZINC001296158738 1064271638 /nfs/dbraw/zinc/27/16/38/1064271638.db2.gz IRSSFQBBCHJAPI-QUCCMNQESA-N 1 1 480.654 2.584 20 0 JFADMO CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272890 /nfs/dbraw/zinc/27/28/90/1064272890.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 1 1 469.682 2.713 20 0 JFADMO CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272907 /nfs/dbraw/zinc/27/29/07/1064272907.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001291782782 1064273421 /nfs/dbraw/zinc/27/34/21/1064273421.db2.gz GTQKIPALEPCPHD-BWAGFHJFSA-N 1 1 470.618 2.843 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001291782783 1064273510 /nfs/dbraw/zinc/27/35/10/1064273510.db2.gz GTQKIPALEPCPHD-NYVOZVTQSA-N 1 1 470.618 2.843 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001291783012 1064274694 /nfs/dbraw/zinc/27/46/94/1064274694.db2.gz WYNNCBSBTFMUII-IBGZPJMESA-N 1 1 466.634 2.921 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001291783354 1064275745 /nfs/dbraw/zinc/27/57/45/1064275745.db2.gz KDWUCYANGOJFST-NRFANRHFSA-N 1 1 487.693 2.750 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296163052 1064276005 /nfs/dbraw/zinc/27/60/05/1064276005.db2.gz VWTGVWMUFZBWAR-RBUKOAKNSA-N 1 1 450.628 2.960 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001291783355 1064275949 /nfs/dbraw/zinc/27/59/49/1064275949.db2.gz KDWUCYANGOJFST-OAQYLSRUSA-N 1 1 487.693 2.750 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296163051 1064276123 /nfs/dbraw/zinc/27/61/23/1064276123.db2.gz VWTGVWMUFZBWAR-OALUTQOASA-N 1 1 450.628 2.960 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC ZINC001291783653 1064277124 /nfs/dbraw/zinc/27/71/24/1064277124.db2.gz BJVOTMHJCLESJD-OTWHNJEPSA-N 1 1 477.654 2.795 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291783921 1064278166 /nfs/dbraw/zinc/27/81/66/1064278166.db2.gz PITWTXQHMXABGQ-WOJBJXKFSA-N 1 1 463.648 2.828 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291783942 1064278273 /nfs/dbraw/zinc/27/82/73/1064278273.db2.gz PPFSYVCRABMTSN-IBGZPJMESA-N 1 1 463.648 2.909 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001296163792 1064278862 /nfs/dbraw/zinc/27/88/62/1064278862.db2.gz XMYWLJXNJCSWEN-ZYSBOAIWSA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)C[C@@H]1C ZINC001296163792 1064278877 /nfs/dbraw/zinc/27/88/77/1064278877.db2.gz XMYWLJXNJCSWEN-ZYSBOAIWSA-N 1 1 451.587 2.979 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784433 1064279458 /nfs/dbraw/zinc/27/94/58/1064279458.db2.gz RASJLXZAPHOVFO-HYBUGGRVSA-N 1 1 475.659 2.911 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001291784910 1064280087 /nfs/dbraw/zinc/28/00/87/1064280087.db2.gz STZZLCCBMCWINA-DFIYOIEZSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291785383 1064281036 /nfs/dbraw/zinc/28/10/36/1064281036.db2.gz VMHJXYSHKNNONC-LJQANCHMSA-N 1 1 468.581 2.843 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296165396 1064283871 /nfs/dbraw/zinc/28/38/71/1064283871.db2.gz ISALREGYPKPTAE-PXNSSMCTSA-N 1 1 475.588 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296164877 1064284209 /nfs/dbraw/zinc/28/42/09/1064284209.db2.gz FKLWQKZJKGLKIW-IBGZPJMESA-N 1 1 474.654 2.973 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001296164899 1064284291 /nfs/dbraw/zinc/28/42/91/1064284291.db2.gz FXZTYNKQWDMFNR-GOSISDBHSA-N 1 1 490.454 2.719 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296165430 1064284731 /nfs/dbraw/zinc/28/47/31/1064284731.db2.gz JJGAWQFURJHSQJ-NOZRDPDXSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296165430 1064284744 /nfs/dbraw/zinc/28/47/44/1064284744.db2.gz JJGAWQFURJHSQJ-NOZRDPDXSA-N 1 1 483.705 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296165854 1064285510 /nfs/dbraw/zinc/28/55/10/1064285510.db2.gz BHXYVAANFRTOPQ-ISKFKSNPSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001296166701 1064287618 /nfs/dbraw/zinc/28/76/18/1064287618.db2.gz ONINIWKIAJOSNR-SFHVURJKSA-N 1 1 468.631 2.697 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001296167014 1064288735 /nfs/dbraw/zinc/28/87/35/1064288735.db2.gz PQPRZIQCAJOJSG-LJQANCHMSA-N 1 1 483.617 2.744 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001291794646 1064296849 /nfs/dbraw/zinc/29/68/49/1064296849.db2.gz VATUACPRXUAXFI-WEMPKCCASA-N 1 1 481.645 2.725 20 0 JFADMO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C[C@H]1C ZINC001296173758 1064298823 /nfs/dbraw/zinc/29/88/23/1064298823.db2.gz LSPLCMXNIXBRQM-HMJJTBFXSA-N 1 1 468.668 2.649 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[S@](=O)CC)C[C@H]1C ZINC001296173758 1064298837 /nfs/dbraw/zinc/29/88/37/1064298837.db2.gz LSPLCMXNIXBRQM-HMJJTBFXSA-N 1 1 468.668 2.649 20 0 JFADMO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)cn1 ZINC001296173873 1064299575 /nfs/dbraw/zinc/29/95/75/1064299575.db2.gz MLOBVVDNGZNZTP-JOCHJYFZSA-N 1 1 454.667 2.907 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296175192 1064303682 /nfs/dbraw/zinc/30/36/82/1064303682.db2.gz VLPQCOGEANXVAY-LJQANCHMSA-N 1 1 461.632 2.521 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296175190 1064303852 /nfs/dbraw/zinc/30/38/52/1064303852.db2.gz VLPQCOGEANXVAY-IBGZPJMESA-N 1 1 461.632 2.521 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180608 1064312447 /nfs/dbraw/zinc/31/24/47/1064312447.db2.gz OOZKSBQGHSORGB-GGAORHGYSA-N 1 1 499.679 2.566 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291802852 1064314153 /nfs/dbraw/zinc/31/41/53/1064314153.db2.gz GNHANKJLCKWLLQ-UYAOXDASSA-N 1 1 489.068 2.515 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181863 1064319358 /nfs/dbraw/zinc/31/93/58/1064319358.db2.gz FOVKSKXSJAAARN-QHCPKHFHSA-N 1 1 454.663 2.969 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)CC1 ZINC001296181859 1064319447 /nfs/dbraw/zinc/31/94/47/1064319447.db2.gz FOEPBCXDPVWGJO-WYOOIXGGSA-N 1 1 472.703 2.620 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181894 1064320002 /nfs/dbraw/zinc/32/00/02/1064320002.db2.gz GPELFECPYIOFKJ-LJQANCHMSA-N 1 1 499.651 2.853 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182359 1064322429 /nfs/dbraw/zinc/32/24/29/1064322429.db2.gz QSDAIWYBLOLOHC-BVAGGSTKSA-N 1 1 454.663 2.687 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296182921 1064325235 /nfs/dbraw/zinc/32/52/35/1064325235.db2.gz AZKUUYFXDGUKIC-RTWAWAEBSA-N 1 1 487.718 2.963 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296182990 1064326125 /nfs/dbraw/zinc/32/61/25/1064326125.db2.gz XJQHYVHXWYFYFU-NZQKXSOJSA-N 1 1 470.662 2.973 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183191 1064327800 /nfs/dbraw/zinc/32/78/00/1064327800.db2.gz ZYSUTIRSEPTCED-NJDAHSKKSA-N 1 1 462.683 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296183815 1064329677 /nfs/dbraw/zinc/32/96/77/1064329677.db2.gz GNFSTACYUYTVSP-NZQKXSOJSA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184051 1064330409 /nfs/dbraw/zinc/33/04/09/1064330409.db2.gz IPUMOYBSYGFYCO-KRWDZBQOSA-N 1 1 497.457 2.761 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296184086 1064331248 /nfs/dbraw/zinc/33/12/48/1064331248.db2.gz IVGBQCJRGDWXBC-ROUUACIJSA-N 1 1 492.043 2.678 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOCC2)CC1 ZINC001296184700 1064332149 /nfs/dbraw/zinc/33/21/49/1064332149.db2.gz MITGRLYYARPYAR-SFHVURJKSA-N 1 1 463.026 2.717 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOCC2)CC1 ZINC001296184699 1064332370 /nfs/dbraw/zinc/33/23/70/1064332370.db2.gz MITGRLYYARPYAR-GOSISDBHSA-N 1 1 463.026 2.717 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOCC2)CC1 ZINC001296186600 1064334415 /nfs/dbraw/zinc/33/44/15/1064334415.db2.gz WWEVBWQLSQYHCD-SFHVURJKSA-N 1 1 477.451 2.818 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190363 1064337748 /nfs/dbraw/zinc/33/77/48/1064337748.db2.gz CODHTXQTMQDVFV-IBGZPJMESA-N 1 1 479.670 2.664 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190366 1064337908 /nfs/dbraw/zinc/33/79/08/1064337908.db2.gz CPLOLIXWMVTKGT-QZTJIDSGSA-N 1 1 456.557 2.754 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296190389 1064338791 /nfs/dbraw/zinc/33/87/91/1064338791.db2.gz CUWFZPCVXIJVIY-JOCHJYFZSA-N 1 1 473.710 2.732 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190697 1064340440 /nfs/dbraw/zinc/34/04/40/1064340440.db2.gz DYDFIVHPKCTTLP-NRFANRHFSA-N 1 1 485.652 2.758 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001296191525 1064342003 /nfs/dbraw/zinc/34/20/03/1064342003.db2.gz BDYOUKMIABCGQA-VQTJNVASSA-N 1 1 488.080 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)CC1 ZINC001296191836 1064343466 /nfs/dbraw/zinc/34/34/66/1064343466.db2.gz CFEHJMZPLVQESX-HXUWFJFHSA-N 1 1 462.683 2.971 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)CC1 ZINC001296192849 1064347482 /nfs/dbraw/zinc/34/74/82/1064347482.db2.gz GRMVBILTADDQQF-XMMPIXPASA-N 1 1 461.054 2.842 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296193564 1064351606 /nfs/dbraw/zinc/35/16/06/1064351606.db2.gz JSAQNECAAJNSPA-WOJBJXKFSA-N 1 1 488.080 2.929 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296193960 1064353390 /nfs/dbraw/zinc/35/33/90/1064353390.db2.gz KRPHBDGXDBRYTD-HXUWFJFHSA-N 1 1 454.623 2.579 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194079 1064353964 /nfs/dbraw/zinc/35/39/64/1064353964.db2.gz LHOBQRRAWKGUCV-QKNQBKEWSA-N 1 1 475.682 2.779 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194095 1064354029 /nfs/dbraw/zinc/35/40/29/1064354029.db2.gz LMZBKVWWCBWGAG-GOSISDBHSA-N 1 1 495.594 2.905 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296194147 1064354815 /nfs/dbraw/zinc/35/48/15/1064354815.db2.gz MAOREIUCXCFWJW-LEWJYISDSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291818418 1064355235 /nfs/dbraw/zinc/35/52/35/1064355235.db2.gz VBEQEUKPGLNKDS-CTNGQTDRSA-N 1 1 489.064 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194444 1064356209 /nfs/dbraw/zinc/35/62/09/1064356209.db2.gz SKIKHCXBMABKOY-UYAOXDASSA-N 1 1 461.680 2.847 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194422 1064356255 /nfs/dbraw/zinc/35/62/55/1064356255.db2.gz SGTTXFKQCDTGDN-VXKWHMMOSA-N 1 1 464.699 2.771 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296194692 1064357058 /nfs/dbraw/zinc/35/70/58/1064357058.db2.gz NWLMHZWWPYUNKA-HXUWFJFHSA-N 1 1 470.666 2.793 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001296194980 1064358218 /nfs/dbraw/zinc/35/82/18/1064358218.db2.gz UIDDZFKJCZZNNS-UXHICEINSA-N 1 1 473.691 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195638 1064359794 /nfs/dbraw/zinc/35/97/94/1064359794.db2.gz PRWHKFYQBJRPTH-IFMALSPDSA-N 1 1 498.676 2.717 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296195691 1064362544 /nfs/dbraw/zinc/36/25/44/1064362544.db2.gz QHSGFGMZCAXMRG-UXHICEINSA-N 1 1 488.080 2.964 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822225 1064362612 /nfs/dbraw/zinc/36/26/12/1064362612.db2.gz ZFLNVUHYRYSZOO-RTBURBONSA-N 1 1 460.648 2.861 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296196052 1064363335 /nfs/dbraw/zinc/36/33/35/1064363335.db2.gz RFFYGTCXGXHNSI-OAQYLSRUSA-N 1 1 455.651 2.867 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001296195840 1064364374 /nfs/dbraw/zinc/36/43/74/1064364374.db2.gz QQCIOAHXRIUZLW-RTBURBONSA-N 1 1 485.599 2.566 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296196086 1064364719 /nfs/dbraw/zinc/36/47/19/1064364719.db2.gz RVWOUTGGARUHIA-NRFANRHFSA-N 1 1 498.676 2.671 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296196507 1064368127 /nfs/dbraw/zinc/36/81/27/1064368127.db2.gz UDVYINJFELCEPK-RTBURBONSA-N 1 1 474.053 2.539 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001296196948 1064371039 /nfs/dbraw/zinc/37/10/39/1064371039.db2.gz WWSICMZKMBFTDW-MZKRTTBSSA-N 1 1 483.661 2.709 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197390 1064374072 /nfs/dbraw/zinc/37/40/72/1064374072.db2.gz XSIQJJZYVQBPLM-PKTZIBPZSA-N 1 1 470.662 2.973 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291826440 1064374401 /nfs/dbraw/zinc/37/44/01/1064374401.db2.gz HJBVCRHOIFHIMO-NNXSRULWSA-N 1 1 490.693 2.803 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291826442 1064374530 /nfs/dbraw/zinc/37/45/30/1064374530.db2.gz HJBVCRHOIFHIMO-ZZLPTCMGSA-N 1 1 490.693 2.803 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296197514 1064374551 /nfs/dbraw/zinc/37/45/51/1064374551.db2.gz YKFKPDOHVLIWKB-HXUWFJFHSA-N 1 1 471.625 2.559 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001296202618 1064378623 /nfs/dbraw/zinc/37/86/23/1064378623.db2.gz GQCSHJTZCOFHDZ-VWLOTQADSA-N 1 1 472.682 2.563 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3F)nnc2N2CCC(CO)CC2)CC1 ZINC001296202766 1064379148 /nfs/dbraw/zinc/37/91/48/1064379148.db2.gz HWELJXXROUJQJE-UHFFFAOYSA-N 1 1 458.626 2.634 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204039 1064382873 /nfs/dbraw/zinc/38/28/73/1064382873.db2.gz POUDMZMDVDBYAR-GOSISDBHSA-N 1 1 477.604 2.920 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC001296204038 1064382981 /nfs/dbraw/zinc/38/29/81/1064382981.db2.gz POJBTCRRVYMQPP-OAQYLSRUSA-N 1 1 461.699 2.806 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296204622 1064386355 /nfs/dbraw/zinc/38/63/55/1064386355.db2.gz UHLKSABNLMQXFU-FQEVSTJZSA-N 1 1 460.598 2.639 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C2)CC1 ZINC001296205182 1064389348 /nfs/dbraw/zinc/38/93/48/1064389348.db2.gz XZPDLSZTYSNCBG-IBGZPJMESA-N 1 1 459.664 2.534 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296205183 1064389407 /nfs/dbraw/zinc/38/94/07/1064389407.db2.gz XZPDLSZTYSNCBG-LJQANCHMSA-N 1 1 459.664 2.534 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)CC1 ZINC001296205256 1064389987 /nfs/dbraw/zinc/38/99/87/1064389987.db2.gz ZXVFCIAMVWKSGD-NRFANRHFSA-N 1 1 491.681 2.604 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296205659 1064391830 /nfs/dbraw/zinc/39/18/30/1064391830.db2.gz CXLQRKCWIWEZMW-UHFFFAOYSA-N 1 1 469.556 2.558 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296205898 1064392612 /nfs/dbraw/zinc/39/26/12/1064392612.db2.gz FOSBGWZFWIXLCF-LJQANCHMSA-N 1 1 472.634 2.845 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001296206224 1064394032 /nfs/dbraw/zinc/39/40/32/1064394032.db2.gz KLXHGAFWTSFMNL-KRWDZBQOSA-N 1 1 494.471 2.946 20 0 JFADMO CCN1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296211842 1064402862 /nfs/dbraw/zinc/40/28/62/1064402862.db2.gz QEALFUCEWBZBIC-XMMPIXPASA-N 1 1 473.691 2.924 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCCC[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212564 1064404312 /nfs/dbraw/zinc/40/43/12/1064404312.db2.gz ABYMENDCRSQJNO-DHLKQENFSA-N 1 1 462.683 2.973 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212569 1064404547 /nfs/dbraw/zinc/40/45/47/1064404547.db2.gz ABYMENDCRSQJNO-RDGATRHJSA-N 1 1 462.683 2.973 20 0 JFADMO CCN1CC[NH+](CCCn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296213055 1064406620 /nfs/dbraw/zinc/40/66/20/1064406620.db2.gz FTSMSGWFGSNSSX-HXUWFJFHSA-N 1 1 474.675 2.832 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291834181 1064408096 /nfs/dbraw/zinc/40/80/96/1064408096.db2.gz UVNJVGPTCSSRRL-FCHUYYIVSA-N 1 1 497.688 2.722 20 0 JFADMO CCn1nc(-c2nnc(N(C)CCC(=O)NC)n2CCC[N@H+]2CCCC[C@@H]2C)c2ccccc2c1=O ZINC001296213509 1064409455 /nfs/dbraw/zinc/40/94/55/1064409455.db2.gz FQFKENTXGUUREK-IBGZPJMESA-N 1 1 494.644 2.512 20 0 JFADMO CCn1nc(-c2nnc(N3CC=C(COC)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296217338 1064427248 /nfs/dbraw/zinc/42/72/48/1064427248.db2.gz YOPMDMMDFRUCHN-UHFFFAOYSA-N 1 1 465.602 2.798 20 0 JFADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNC(C)=O)c2ccccc2c1=O ZINC001296219076 1064431624 /nfs/dbraw/zinc/43/16/24/1064431624.db2.gz GPKLHOYSRHICIL-UHFFFAOYSA-N 1 1 494.644 2.512 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291843622 1064449202 /nfs/dbraw/zinc/44/92/02/1064449202.db2.gz CKOJVYUEPPTFLJ-RBBKRZOGSA-N 1 1 454.619 2.599 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001296225365 1064454060 /nfs/dbraw/zinc/45/40/60/1064454060.db2.gz MZTATVNTHFJANZ-GHTZIAJQSA-N 1 1 487.693 2.812 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CCC(=O)N1)c1ccccc1 ZINC001291847342 1064454095 /nfs/dbraw/zinc/45/40/95/1064454095.db2.gz YQIGVLCKTRWICN-YADHBBJMSA-N 1 1 468.646 2.893 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291850303 1064455817 /nfs/dbraw/zinc/45/58/17/1064455817.db2.gz FICVPLKIHAGQHB-VWPQPMDRSA-N 1 1 456.635 2.844 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291850303 1064455821 /nfs/dbraw/zinc/45/58/21/1064455821.db2.gz FICVPLKIHAGQHB-VWPQPMDRSA-N 1 1 456.635 2.844 20 0 JFADMO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296229900 1064464086 /nfs/dbraw/zinc/46/40/86/1064464086.db2.gz DCECILKAANSXGX-HZPDHXFCSA-N 1 1 457.687 2.868 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291856944 1064464337 /nfs/dbraw/zinc/46/43/37/1064464337.db2.gz JZKJDMKWQNQKJD-CUDBPUKSSA-N 1 1 468.646 2.986 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857589 1064465413 /nfs/dbraw/zinc/46/54/13/1064465413.db2.gz ODWMVAVFVCUSLT-AGILITTLSA-N 1 1 482.673 2.970 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291859368 1064468565 /nfs/dbraw/zinc/46/85/65/1064468565.db2.gz YRONIIJVQFMUAT-MZYLBHOOSA-N 1 1 468.646 2.844 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291862181 1064471557 /nfs/dbraw/zinc/47/15/57/1064471557.db2.gz IPKRSGIMTJAVSU-XZOQPEGZSA-N 1 1 468.646 2.629 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291863291 1064475039 /nfs/dbraw/zinc/47/50/39/1064475039.db2.gz ODOJYYHILNSGCZ-JOCHJYFZSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863291 1064475042 /nfs/dbraw/zinc/47/50/42/1064475042.db2.gz ODOJYYHILNSGCZ-JOCHJYFZSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291863291 1064475055 /nfs/dbraw/zinc/47/50/55/1064475055.db2.gz ODOJYYHILNSGCZ-JOCHJYFZSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864487 1064477781 /nfs/dbraw/zinc/47/77/81/1064477781.db2.gz GLVHKXLXUVVRGP-ZJSXRUAMSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291873729 1064488861 /nfs/dbraw/zinc/48/88/61/1064488861.db2.gz AJHYNFPVKBKSMR-AKIFATBCSA-N 1 1 468.646 2.751 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291887942 1064510249 /nfs/dbraw/zinc/51/02/49/1064510249.db2.gz LJEUOCFPGBSCOV-AKIFATBCSA-N 1 1 467.662 2.548 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296248889 1064510485 /nfs/dbraw/zinc/51/04/85/1064510485.db2.gz SWQUCMRYVHZEHF-KDURUIRLSA-N 1 1 460.667 2.719 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889223 1064514065 /nfs/dbraw/zinc/51/40/65/1064514065.db2.gz ZXNXGECHGXRWIU-DHLKQENFSA-N 1 1 481.689 2.762 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(N2CC[NH+](CCOC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001296252207 1064515870 /nfs/dbraw/zinc/51/58/70/1064515870.db2.gz YLCMLAXHYGWJAL-UHFFFAOYSA-N 1 1 468.646 2.679 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296253578 1064516185 /nfs/dbraw/zinc/51/61/85/1064516185.db2.gz AIFYSAQYTWYITD-VAMGGRTRSA-N 1 1 478.682 2.516 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291892800 1064520454 /nfs/dbraw/zinc/52/04/54/1064520454.db2.gz NCVQXDJBOPTWCJ-AKIFATBCSA-N 1 1 468.646 2.724 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001296256964 1064522134 /nfs/dbraw/zinc/52/21/34/1064522134.db2.gz HKRGWRRUUZOIIP-UHFFFAOYSA-N 1 1 458.559 2.520 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC001296257321 1064522309 /nfs/dbraw/zinc/52/23/09/1064522309.db2.gz LFSMLYNFZRDIQJ-UHFFFAOYSA-N 1 1 457.596 2.780 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291893934 1064523069 /nfs/dbraw/zinc/52/30/69/1064523069.db2.gz VNUDYVNZTSGWKL-CQOQZXRMSA-N 1 1 481.689 2.761 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894879 1064524365 /nfs/dbraw/zinc/52/43/65/1064524365.db2.gz QWRRMYRILSLBKW-FCHUYYIVSA-N 1 1 474.675 2.822 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291894896 1064525089 /nfs/dbraw/zinc/52/50/89/1064525089.db2.gz QZXGIEKEQOILOD-QHCPKHFHSA-N 1 1 492.672 2.971 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001291897042 1064528495 /nfs/dbraw/zinc/52/84/95/1064528495.db2.gz AFDUEPJPWBULKH-YTFSRNRJSA-N 1 1 454.619 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901682 1064532456 /nfs/dbraw/zinc/53/24/56/1064532456.db2.gz MSRIPNNUICJNKZ-FGZHOGPDSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](COC)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901682 1064532473 /nfs/dbraw/zinc/53/24/73/1064532473.db2.gz MSRIPNNUICJNKZ-FGZHOGPDSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291904334 1064534747 /nfs/dbraw/zinc/53/47/47/1064534747.db2.gz ORBIHTTWZUERLB-ZHHKINOHSA-N 1 1 455.603 2.665 20 0 JFADMO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291904333 1064534790 /nfs/dbraw/zinc/53/47/90/1064534790.db2.gz ORBIHTTWZUERLB-WSWWRLHASA-N 1 1 455.603 2.665 20 0 JFADMO COCc1nc2sc(C(=O)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c(C)c2c(OC)n1 ZINC001296269384 1064536563 /nfs/dbraw/zinc/53/65/63/1064536563.db2.gz VMCNEPDXUMVMER-KRWDZBQOSA-N 1 1 456.568 2.651 20 0 JFADMO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OC ZINC001291921207 1064542407 /nfs/dbraw/zinc/54/24/07/1064542407.db2.gz DAWCUUNKIMHWIO-UHFFFAOYSA-N 1 1 470.666 2.935 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC001296274994 1064544642 /nfs/dbraw/zinc/54/46/42/1064544642.db2.gz VUYNKRQIPBXQIA-SFHVURJKSA-N 1 1 495.653 2.598 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)SC ZINC001291930763 1064547861 /nfs/dbraw/zinc/54/78/61/1064547861.db2.gz CADJQAMAMHPLMD-PMACEKPBSA-N 1 1 478.707 2.837 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930840 1064548409 /nfs/dbraw/zinc/54/84/09/1064548409.db2.gz DQINTZZZYSDXLE-MZYLBHOOSA-N 1 1 490.693 2.756 20 0 JFADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933476 1064552448 /nfs/dbraw/zinc/55/24/48/1064552448.db2.gz HMXWMCCYIQJBFA-XUZZJYLKSA-N 1 1 497.688 2.848 20 0 JFADMO CCCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1=O ZINC001296281977 1064553105 /nfs/dbraw/zinc/55/31/05/1064553105.db2.gz XOQFKADRPQQMMK-QFIPXVFZSA-N 1 1 450.583 2.876 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296286268 1064557802 /nfs/dbraw/zinc/55/78/02/1064557802.db2.gz IZEISGGNNCJAJA-UPVQGACJSA-N 1 1 481.689 2.960 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296288015 1064560339 /nfs/dbraw/zinc/56/03/39/1064560339.db2.gz DXKRSMSMGMVHDR-FQEVSTJZSA-N 1 1 471.650 2.617 20 0 JFADMO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291946199 1064560501 /nfs/dbraw/zinc/56/05/01/1064560501.db2.gz SPXAHPHLWZALDI-CEMLEFRQSA-N 1 1 453.587 2.566 20 0 JFADMO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291946202 1064560880 /nfs/dbraw/zinc/56/08/80/1064560880.db2.gz SPXAHPHLWZALDI-NNWRFLSQSA-N 1 1 453.587 2.566 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291950783 1064562186 /nfs/dbraw/zinc/56/21/86/1064562186.db2.gz FDGPOWMMUMYBBW-SQJMNOBHSA-N 1 1 476.666 2.656 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001296289299 1064564084 /nfs/dbraw/zinc/56/40/84/1064564084.db2.gz RGSSGRFGJYXLKZ-FQEVSTJZSA-N 1 1 489.068 2.516 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001291953133 1064566126 /nfs/dbraw/zinc/56/61/26/1064566126.db2.gz OVZSFAXHBUNASJ-CTNGQTDRSA-N 1 1 485.633 2.678 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954604 1064568458 /nfs/dbraw/zinc/56/84/58/1064568458.db2.gz VQTMLFJBPAXHEI-NHCUHLMSSA-N 1 1 468.650 2.966 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001296303806 1064583972 /nfs/dbraw/zinc/58/39/72/1064583972.db2.gz YMMICICOSZXVLF-IBGZPJMESA-N 1 1 490.052 2.951 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296307751 1064588624 /nfs/dbraw/zinc/58/86/24/1064588624.db2.gz NLHJJMLPMMRWGE-JOCHJYFZSA-N 1 1 499.660 2.934 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccn(C)n1 ZINC001291987495 1064601022 /nfs/dbraw/zinc/60/10/22/1064601022.db2.gz BAYVLRVRTRPORL-JOCHJYFZSA-N 1 1 464.618 2.689 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)cc2)C1 ZINC001296323495 1064605941 /nfs/dbraw/zinc/60/59/41/1064605941.db2.gz QPIYKXJWBDTZNO-VAMGGRTRSA-N 1 1 451.633 2.584 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990931 1064607533 /nfs/dbraw/zinc/60/75/33/1064607533.db2.gz OLUJBHQCAOHCNP-DVKBMCPXSA-N 1 1 451.567 2.752 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990931 1064607538 /nfs/dbraw/zinc/60/75/38/1064607538.db2.gz OLUJBHQCAOHCNP-DVKBMCPXSA-N 1 1 451.567 2.752 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001296324786 1064612262 /nfs/dbraw/zinc/61/22/62/1064612262.db2.gz CBRMINKQEBCIOA-GBESFXJTSA-N 1 1 494.637 2.560 20 0 JFADMO CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)CC1 ZINC001292000681 1064619206 /nfs/dbraw/zinc/61/92/06/1064619206.db2.gz NTTNCZBRAXIXCW-UHFFFAOYSA-N 1 1 450.631 2.758 20 0 JFADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001296330100 1064629181 /nfs/dbraw/zinc/62/91/81/1064629181.db2.gz PAUWEBFAKSBXCV-FQEVSTJZSA-N 1 1 481.066 2.991 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2c(c1)COC2 ZINC001292008589 1064630478 /nfs/dbraw/zinc/63/04/78/1064630478.db2.gz OEWPBJWKJKMZFO-KDURUIRLSA-N 1 1 484.645 2.820 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2c(c1)COC2 ZINC001292008589 1064630490 /nfs/dbraw/zinc/63/04/90/1064630490.db2.gz OEWPBJWKJKMZFO-KDURUIRLSA-N 1 1 484.645 2.820 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292013797 1064641504 /nfs/dbraw/zinc/64/15/04/1064641504.db2.gz MNYDUHJFMWOCID-CVDCTZTESA-N 1 1 495.672 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001292015864 1064647509 /nfs/dbraw/zinc/64/75/09/1064647509.db2.gz BDDWMCADRIBHPB-DOTOQJQBSA-N 1 1 474.572 2.942 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001292016611 1064650216 /nfs/dbraw/zinc/65/02/16/1064650216.db2.gz HDBMIQKTLBRHMY-SELNLUPBSA-N 1 1 468.646 2.904 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@]1(C)CCCS1 ZINC001292017584 1064650765 /nfs/dbraw/zinc/65/07/65/1064650765.db2.gz KXQHNXYHWNNQJR-GWJPWWOOSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@]1(C)CCCS1 ZINC001292017588 1064650816 /nfs/dbraw/zinc/65/08/16/1064650816.db2.gz KXQHNXYHWNNQJR-WCAVRKLYSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001292019367 1064657036 /nfs/dbraw/zinc/65/70/36/1064657036.db2.gz DVKXMAWIBILEJV-UWHLTILDSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001292019367 1064657042 /nfs/dbraw/zinc/65/70/42/1064657042.db2.gz DVKXMAWIBILEJV-UWHLTILDSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292023037 1064667079 /nfs/dbraw/zinc/66/70/79/1064667079.db2.gz NUJNXWFNCNKKJO-ZMSDIMECSA-N 1 1 460.545 2.694 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292023035 1064667129 /nfs/dbraw/zinc/66/71/29/1064667129.db2.gz NUJNXWFNCNKKJO-UXLLHSPISA-N 1 1 460.545 2.694 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCCCn1cc[nH+]c1C ZINC001292025321 1064675479 /nfs/dbraw/zinc/67/54/79/1064675479.db2.gz WNDNFINXVQAUDM-IBGZPJMESA-N 1 1 487.649 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCn1cc(Br)cn1 ZINC001292029777 1064683942 /nfs/dbraw/zinc/68/39/42/1064683942.db2.gz GCFMJMQJNZKUFM-CRAIPNDOSA-N 1 1 493.454 2.529 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@](C)(O)c1ccccc1 ZINC001292030075 1064685962 /nfs/dbraw/zinc/68/59/62/1064685962.db2.gz LHTISLVYFQADCA-HMHJJOSWSA-N 1 1 454.619 2.777 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@](C)(O)c1ccccc1 ZINC001292030074 1064686020 /nfs/dbraw/zinc/68/60/20/1064686020.db2.gz LHTISLVYFQADCA-DHTSOJEISA-N 1 1 454.619 2.777 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001292036118 1064699188 /nfs/dbraw/zinc/69/91/88/1064699188.db2.gz PRGURSKAIAPZEL-GOSISDBHSA-N 1 1 474.572 2.822 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292037527 1064703452 /nfs/dbraw/zinc/70/34/52/1064703452.db2.gz YEFKPVPQPKRZFU-NRFANRHFSA-N 1 1 493.656 2.948 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001292053022 1064717465 /nfs/dbraw/zinc/71/74/65/1064717465.db2.gz IYWLGRZXYXUGHQ-FQEVSTJZSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001292052835 1064717487 /nfs/dbraw/zinc/71/74/87/1064717487.db2.gz HANOQFUQEZOFLN-QFIPXVFZSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H]1CCC=CO1 ZINC001292062846 1064734327 /nfs/dbraw/zinc/73/43/27/1064734327.db2.gz GRJQHQYCCXHIBE-QHCPKHFHSA-N 1 1 487.693 2.884 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001292062994 1064735229 /nfs/dbraw/zinc/73/52/29/1064735229.db2.gz KGMBYSSXSOKXCK-IEBWSBKVSA-N 1 1 489.665 2.784 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292063278 1064736401 /nfs/dbraw/zinc/73/64/01/1064736401.db2.gz QFPFMVGCOQLZGO-IBGZPJMESA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292070554 1064749633 /nfs/dbraw/zinc/74/96/33/1064749633.db2.gz OCCVOSLDBYJBLF-PMACEKPBSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292076053 1064756900 /nfs/dbraw/zinc/75/69/00/1064756900.db2.gz KTECSGSMQDMUQI-UHFFFAOYSA-N 1 1 495.672 2.777 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080157 1064763664 /nfs/dbraw/zinc/76/36/64/1064763664.db2.gz NTKRURZZJZWCAH-RTWAWAEBSA-N 1 1 457.615 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292090468 1064775067 /nfs/dbraw/zinc/77/50/67/1064775067.db2.gz OVUMVDTZJLJEDP-RZUBCFFCSA-N 1 1 485.681 2.998 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095138 1064786304 /nfs/dbraw/zinc/78/63/04/1064786304.db2.gz TWTBMGDPRJNGDQ-RTWAWAEBSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001292105227 1064798129 /nfs/dbraw/zinc/79/81/29/1064798129.db2.gz LHCCBMOOMSSDED-OFVILXPXSA-N 1 1 476.666 2.845 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001292105816 1064800586 /nfs/dbraw/zinc/80/05/86/1064800586.db2.gz PJNZXKDSILFMMN-AREMUKBSSA-N 1 1 499.635 2.526 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ccc2c(c1)OCO2 ZINC001292105872 1064801143 /nfs/dbraw/zinc/80/11/43/1064801143.db2.gz QSCWQCHRWJIKLR-UHFFFAOYSA-N 1 1 456.591 2.894 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc([C@H](C)O)cc1 ZINC001292109701 1064808364 /nfs/dbraw/zinc/80/83/64/1064808364.db2.gz JOWSMHYLUVTRPF-UNMCSNQZSA-N 1 1 498.672 2.847 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001292109786 1064808883 /nfs/dbraw/zinc/80/88/83/1064808883.db2.gz LXYVDAAHNURQKK-UFYCRDLUSA-N 1 1 464.630 2.883 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292110493 1064813584 /nfs/dbraw/zinc/81/35/84/1064813584.db2.gz JICKWEGLMDJWMJ-FQEVSTJZSA-N 1 1 481.645 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001292110837 1064816795 /nfs/dbraw/zinc/81/67/95/1064816795.db2.gz NOXQBAUZKAXBHP-HXUWFJFHSA-N 1 1 475.682 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H]1C[C@H]1C ZINC001292124117 1064864524 /nfs/dbraw/zinc/86/45/24/1064864524.db2.gz LIEFLXMEIKOUMY-UZKOGDIHSA-N 1 1 454.619 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ccc(F)c(Cl)c1 ZINC001292126107 1064873865 /nfs/dbraw/zinc/87/38/65/1064873865.db2.gz HDKFSDSETQTELC-UHFFFAOYSA-N 1 1 466.989 2.806 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCn3nc(C)nc3C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001292134134 1064891944 /nfs/dbraw/zinc/89/19/44/1064891944.db2.gz OSPSJSAKDSRMDL-UHFFFAOYSA-N 1 1 471.654 2.771 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(C(F)F)c1 ZINC001292134551 1064894720 /nfs/dbraw/zinc/89/47/20/1064894720.db2.gz TZLMJIURJAIGKU-LJQANCHMSA-N 1 1 462.545 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(C(F)F)c1 ZINC001292134551 1064894728 /nfs/dbraw/zinc/89/47/28/1064894728.db2.gz TZLMJIURJAIGKU-LJQANCHMSA-N 1 1 462.545 2.703 20 0 JFADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@@H](C)O1 ZINC001292149041 1064927300 /nfs/dbraw/zinc/92/73/00/1064927300.db2.gz OQHYFUGLFWHTDD-BFYDXBDKSA-N 1 1 458.340 2.770 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC001292150384 1064927674 /nfs/dbraw/zinc/92/76/74/1064927674.db2.gz KAXBTPCZUDNXFF-HXUWFJFHSA-N 1 1 455.559 2.819 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001292154433 1064934680 /nfs/dbraw/zinc/93/46/80/1064934680.db2.gz ZUVGNJRZLLGNBN-LEOXJPRUSA-N 1 1 486.636 2.996 20 0 JFADMO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292163475 1064949462 /nfs/dbraw/zinc/94/94/62/1064949462.db2.gz NYKFAOZCBJDUIS-UGKGYDQZSA-N 1 1 474.675 2.709 20 0 JFADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001292210899 1065001272 /nfs/dbraw/zinc/00/12/72/1065001272.db2.gz RHSIRWSVTZKVJG-HXUWFJFHSA-N 1 1 491.681 2.839 20 0 JFADMO CC[C@H](Cn1c(C2CC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001292210899 1065001287 /nfs/dbraw/zinc/00/12/87/1065001287.db2.gz RHSIRWSVTZKVJG-HXUWFJFHSA-N 1 1 491.681 2.839 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001292225251 1065012519 /nfs/dbraw/zinc/01/25/19/1065012519.db2.gz QICHHXABLIKTSK-HAGHYFMRSA-N 1 1 480.654 2.930 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001292231172 1065018072 /nfs/dbraw/zinc/01/80/72/1065018072.db2.gz RMMDQYZPYGLPCP-NMNUPHIUSA-N 1 1 489.064 2.936 20 0 JFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC001292270597 1065048876 /nfs/dbraw/zinc/04/88/76/1065048876.db2.gz SDUBPLLPVQXBJN-UHFFFAOYSA-N 1 1 450.543 2.675 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292283479 1065056582 /nfs/dbraw/zinc/05/65/82/1065056582.db2.gz DJKYQWBDAWSIMC-JQVVWYNYSA-N 1 1 473.618 2.887 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292283479 1065056591 /nfs/dbraw/zinc/05/65/91/1065056591.db2.gz DJKYQWBDAWSIMC-JQVVWYNYSA-N 1 1 473.618 2.887 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292285640 1065059939 /nfs/dbraw/zinc/05/99/39/1065059939.db2.gz JJAMZXYAZFJKFC-VWLOTQADSA-N 1 1 498.716 2.960 20 0 JFADMO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289772 1065061590 /nfs/dbraw/zinc/06/15/90/1065061590.db2.gz OLBRBRKYTWNIKT-WIOPSUGQSA-N 1 1 496.700 2.993 20 0 JFADMO Cc1nc2ccc(Br)cn2c1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292314426 1065081575 /nfs/dbraw/zinc/08/15/75/1065081575.db2.gz PGAQVAFUSLKQID-UHFFFAOYSA-N 1 1 457.376 2.742 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001292325715 1065086442 /nfs/dbraw/zinc/08/64/42/1065086442.db2.gz JKFXTPOKICGUFT-ZWKOTPCHSA-N 1 1 458.525 2.765 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292355691 1065099874 /nfs/dbraw/zinc/09/98/74/1065099874.db2.gz KTUXFWKAYSJCKB-BKMJKUGQSA-N 1 1 484.645 2.902 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001292356085 1065100469 /nfs/dbraw/zinc/10/04/69/1065100469.db2.gz VZHAXERNYSAFOO-HXUWFJFHSA-N 1 1 467.412 2.763 20 0 JFADMO CC[C@]1(C)CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001292369265 1065111456 /nfs/dbraw/zinc/11/14/56/1065111456.db2.gz NKQGPONCDOOLSG-YADARESESA-N 1 1 490.674 2.632 20 0 JFADMO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC001292408668 1065142608 /nfs/dbraw/zinc/14/26/08/1065142608.db2.gz UYUZZYRSNGIQJT-OAQYLSRUSA-N 1 1 454.619 2.852 20 0 JFADMO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001292408674 1065142688 /nfs/dbraw/zinc/14/26/88/1065142688.db2.gz VBPPAZAARWEQDL-OYRHEFFESA-N 1 1 459.683 2.991 20 0 JFADMO CCC1(Cn2c(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001292449272 1065172722 /nfs/dbraw/zinc/17/27/22/1065172722.db2.gz DJDCCHYAZYYRRS-UHFFFAOYSA-N 1 1 460.667 2.917 20 0 JFADMO CCC1(Cn2c(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001292449272 1065172730 /nfs/dbraw/zinc/17/27/30/1065172730.db2.gz DJDCCHYAZYYRRS-UHFFFAOYSA-N 1 1 460.667 2.917 20 0 JFADMO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292458630 1065182272 /nfs/dbraw/zinc/18/22/72/1065182272.db2.gz SNNQUFUMWLLYNU-AQNXPRMDSA-N 1 1 456.635 2.825 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](CC)C3)n2C[C@@H](COC)OC)cc1 ZINC001292483798 1065205630 /nfs/dbraw/zinc/20/56/30/1065205630.db2.gz DRMIZPOZQUKTJR-PMVMPFDFSA-N 1 1 457.619 2.716 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292488933 1065210640 /nfs/dbraw/zinc/21/06/40/1065210640.db2.gz UXDNFIUJXFNMTB-DFBJGRDBSA-N 1 1 454.619 2.710 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001292497735 1065217170 /nfs/dbraw/zinc/21/71/70/1065217170.db2.gz JTGLQOPFRSXZIK-GOSISDBHSA-N 1 1 454.619 2.722 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292507166 1065224715 /nfs/dbraw/zinc/22/47/15/1065224715.db2.gz IVUKNNNTRXGTFO-URXFXBBRSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292507546 1065225471 /nfs/dbraw/zinc/22/54/71/1065225471.db2.gz JZFFOCBIZDMDFZ-IDISGSTGSA-N 1 1 482.673 2.953 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCC(=O)N[C@@H](C)CC)cc1 ZINC001292513206 1065231971 /nfs/dbraw/zinc/23/19/71/1065231971.db2.gz AGZRBOAYPRXGAY-REWPJTCUSA-N 1 1 495.672 2.555 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513787 1065234432 /nfs/dbraw/zinc/23/44/32/1065234432.db2.gz NKEUQCILOCOIKB-YADHBBJMSA-N 1 1 454.619 2.675 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001292516465 1065237461 /nfs/dbraw/zinc/23/74/61/1065237461.db2.gz SRQVHZLSGSCTNH-GOTSBHOMSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524403 1065249533 /nfs/dbraw/zinc/24/95/33/1065249533.db2.gz FKAOTCGPLCLQJP-KNKQGSTJSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524400 1065249608 /nfs/dbraw/zinc/24/96/08/1065249608.db2.gz FKAOTCGPLCLQJP-DXIQSLLYSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001292524946 1065250370 /nfs/dbraw/zinc/25/03/70/1065250370.db2.gz AKODPTAMTVXOPU-GOTSBHOMSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](CC)CCC(F)(F)F)cc1 ZINC001292525034 1065250763 /nfs/dbraw/zinc/25/07/63/1065250763.db2.gz OMZJLWANBKZACH-IBGZPJMESA-N 1 1 479.551 2.996 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001292532764 1065256497 /nfs/dbraw/zinc/25/64/97/1065256497.db2.gz LXBNBSRZGOEFAC-YADHBBJMSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)s1 ZINC001292547757 1065267963 /nfs/dbraw/zinc/26/79/63/1065267963.db2.gz DNJSXDYEKQTERJ-UHFFFAOYSA-N 1 1 470.647 2.534 20 0 JFADMO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001292578280 1065290503 /nfs/dbraw/zinc/29/05/03/1065290503.db2.gz GROKDKJPUHVCQU-UHFFFAOYSA-N 1 1 453.635 2.784 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292580774 1065297929 /nfs/dbraw/zinc/29/79/29/1065297929.db2.gz QIJIAHZFVQWYCD-WOJBJXKFSA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001292586912 1065302462 /nfs/dbraw/zinc/30/24/62/1065302462.db2.gz NBKAEXMMCOGDHU-SANMLTNESA-N 1 1 487.645 2.772 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001292586912 1065302475 /nfs/dbraw/zinc/30/24/75/1065302475.db2.gz NBKAEXMMCOGDHU-SANMLTNESA-N 1 1 487.645 2.772 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCn1cc[nH+]c1C ZINC001292588712 1065304065 /nfs/dbraw/zinc/30/40/65/1065304065.db2.gz AJXCOHHLSBTFJA-RXVVDRJESA-N 1 1 454.575 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589412 1065305343 /nfs/dbraw/zinc/30/53/43/1065305343.db2.gz LLQZGDFGJXOWNI-MOPGFXCFSA-N 1 1 477.613 2.881 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589418 1065305960 /nfs/dbraw/zinc/30/59/60/1065305960.db2.gz LLQZGDFGJXOWNI-RTBURBONSA-N 1 1 477.613 2.881 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCn1cc[nH+]c1C ZINC001292604101 1065328363 /nfs/dbraw/zinc/32/83/63/1065328363.db2.gz QPOIOAOMTQVTKN-IBGZPJMESA-N 1 1 451.575 2.716 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCn1cc[nH+]c1C ZINC001292610248 1065338178 /nfs/dbraw/zinc/33/81/78/1065338178.db2.gz RSAOKLKGNXKKCY-FQEVSTJZSA-N 1 1 451.575 2.716 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001292614171 1065342570 /nfs/dbraw/zinc/34/25/70/1065342570.db2.gz DASVBFJTTKXMTQ-FPOVZHCZSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292619887 1065356759 /nfs/dbraw/zinc/35/67/59/1065356759.db2.gz RANWDDAPWNIKEC-MZYLBHOOSA-N 1 1 498.672 2.569 20 0 JFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001292641943 1065377477 /nfs/dbraw/zinc/37/74/77/1065377477.db2.gz MSFLYERJCUYHHJ-AOMKIAJQSA-N 1 1 452.983 2.791 20 0 JFADMO CCc1cnc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCOCC2)s1 ZINC001292647131 1065382573 /nfs/dbraw/zinc/38/25/73/1065382573.db2.gz NZCFJTIUWNEPKI-UHFFFAOYSA-N 1 1 472.663 2.906 20 0 JFADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCN(C(=O)COc4ccc(C)cc4)CC3)CC2)cs1 ZINC001292697127 1065447949 /nfs/dbraw/zinc/44/79/49/1065447949.db2.gz UKMLYFLFVIMRLW-UHFFFAOYSA-N 1 1 456.612 2.722 20 0 JFADMO CCc1nc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cs1 ZINC001292717353 1065472614 /nfs/dbraw/zinc/47/26/14/1065472614.db2.gz FYLUVAYIYIGVQX-LJQANCHMSA-N 1 1 472.663 2.558 20 0 JFADMO CC(C)[N@H+]1CCCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 ZINC001292742178 1065502260 /nfs/dbraw/zinc/50/22/60/1065502260.db2.gz QZJBNYOQFQZHDL-UHFFFAOYSA-N 1 1 457.356 2.684 20 0 JFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001292742111 1065502353 /nfs/dbraw/zinc/50/23/53/1065502353.db2.gz OCOWEASOVPOJFL-JOCHJYFZSA-N 1 1 451.571 2.548 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001292762849 1065519827 /nfs/dbraw/zinc/51/98/27/1065519827.db2.gz WYWYRQUZYONCGA-SFHVURJKSA-N 1 1 454.623 2.727 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001292780385 1065539569 /nfs/dbraw/zinc/53/95/69/1065539569.db2.gz CDLYNABGQZZCJM-UHFFFAOYSA-N 1 1 466.634 2.927 20 0 JFADMO CCc1nnc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)s1 ZINC001292794697 1065554430 /nfs/dbraw/zinc/55/44/30/1065554430.db2.gz OYGNEFFRONUPTF-INIZCTEOSA-N 1 1 459.595 2.627 20 0 JFADMO CCc1nnc(Cn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1 ZINC001292795377 1065555867 /nfs/dbraw/zinc/55/58/67/1065555867.db2.gz DGZHUQPSBPSBKX-UHFFFAOYSA-N 1 1 460.696 2.934 20 0 JFADMO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803032 1065560834 /nfs/dbraw/zinc/56/08/34/1065560834.db2.gz SJEWMSOUZSSYOX-FGTMMUONSA-N 1 1 478.663 2.573 20 0 JFADMO CCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001292804025 1065561436 /nfs/dbraw/zinc/56/14/36/1065561436.db2.gz XGLMKCGSXANEKB-GGPKGHCWSA-N 1 1 463.648 2.944 20 0 JFADMO Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)s1 ZINC001292841927 1065573805 /nfs/dbraw/zinc/57/38/05/1065573805.db2.gz RYDGGZNLYYBJPP-INIZCTEOSA-N 1 1 451.643 2.969 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001292862807 1065578224 /nfs/dbraw/zinc/57/82/24/1065578224.db2.gz AFENSGGLZTTZNS-UHFFFAOYSA-N 1 1 456.513 2.772 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001292862807 1065578231 /nfs/dbraw/zinc/57/82/31/1065578231.db2.gz AFENSGGLZTTZNS-UHFFFAOYSA-N 1 1 456.513 2.772 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001292864624 1065579431 /nfs/dbraw/zinc/57/94/31/1065579431.db2.gz RRUVGQYJGSVLDR-ZCNNSNEGSA-N 1 1 462.664 2.521 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1cccs1)N1CCOCC1 ZINC001292864624 1065579440 /nfs/dbraw/zinc/57/94/40/1065579440.db2.gz RRUVGQYJGSVLDR-ZCNNSNEGSA-N 1 1 462.664 2.521 20 0 JFADMO CCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580205 /nfs/dbraw/zinc/58/02/05/1065580205.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 1 1 472.682 2.594 20 0 JFADMO CCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580209 /nfs/dbraw/zinc/58/02/09/1065580209.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 1 1 472.682 2.594 20 0 JFADMO CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292874202 1065581793 /nfs/dbraw/zinc/58/17/93/1065581793.db2.gz HHRNKQPHSWLOOW-UHFFFAOYSA-N 1 1 455.651 2.595 20 0 JFADMO CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292874202 1065581797 /nfs/dbraw/zinc/58/17/97/1065581797.db2.gz HHRNKQPHSWLOOW-UHFFFAOYSA-N 1 1 455.651 2.595 20 0 JFADMO CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292874202 1065581804 /nfs/dbraw/zinc/58/18/04/1065581804.db2.gz HHRNKQPHSWLOOW-UHFFFAOYSA-N 1 1 455.651 2.595 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292876206 1065582128 /nfs/dbraw/zinc/58/21/28/1065582128.db2.gz OAVHUHTXPRGBAQ-SFHVURJKSA-N 1 1 453.591 2.873 20 0 JFADMO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292888135 1065585365 /nfs/dbraw/zinc/58/53/65/1065585365.db2.gz FPUSKQSEHWQRLA-INIZCTEOSA-N 1 1 485.496 2.689 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001292892199 1065589010 /nfs/dbraw/zinc/58/90/10/1065589010.db2.gz AIVFPNCKLMPZEW-GBXCKJPGSA-N 1 1 468.646 2.912 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292892766 1065591346 /nfs/dbraw/zinc/59/13/46/1065591346.db2.gz HZRKWWNRJMDIDF-HFMPRLQTSA-N 1 1 467.662 2.744 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893221 1065593011 /nfs/dbraw/zinc/59/30/11/1065593011.db2.gz MKZGMOZFCNPVTQ-YDHSSHFGSA-N 1 1 472.609 2.826 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1cccc(Cl)c1 ZINC001292893210 1065593140 /nfs/dbraw/zinc/59/31/40/1065593140.db2.gz MHBCLJFSMCENDG-UWJYYQICSA-N 1 1 461.010 2.562 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893226 1065593596 /nfs/dbraw/zinc/59/35/96/1065593596.db2.gz MNVGJFVZPGNXEP-DJVCCWTQSA-N 1 1 460.667 2.815 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001292893417 1065593640 /nfs/dbraw/zinc/59/36/40/1065593640.db2.gz NRQHIUQHEDEDEA-APWZRJJASA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(CCOC)CCCCC1 ZINC001292894568 1065595897 /nfs/dbraw/zinc/59/58/97/1065595897.db2.gz XYSFBSVKJQWIFS-IFMALSPDSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(CCOC)CCCCC1 ZINC001292894574 1065595989 /nfs/dbraw/zinc/59/59/89/1065595989.db2.gz XYSFBSVKJQWIFS-UNMCSNQZSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001292905434 1065598580 /nfs/dbraw/zinc/59/85/80/1065598580.db2.gz ASYSLMFDSPMLHD-NQIIRXRSSA-N 1 1 473.618 2.656 20 0 JFADMO CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292920879 1065606510 /nfs/dbraw/zinc/60/65/10/1065606510.db2.gz QKQATHSLNYRVMV-KUFMOJEASA-N 1 1 456.631 2.574 20 0 JFADMO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001292922259 1065608110 /nfs/dbraw/zinc/60/81/10/1065608110.db2.gz BKHNMUMPLVUWST-FXAWDEMLSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001292922259 1065608115 /nfs/dbraw/zinc/60/81/15/1065608115.db2.gz BKHNMUMPLVUWST-FXAWDEMLSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292932627 1065622659 /nfs/dbraw/zinc/62/26/59/1065622659.db2.gz WXSJATYMLIRJMU-UFYCRDLUSA-N 1 1 491.681 2.523 20 0 JFADMO CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943493 1065628339 /nfs/dbraw/zinc/62/83/39/1065628339.db2.gz OELZNXWKQBSLEG-CTNGQTDRSA-N 1 1 454.619 2.786 20 0 JFADMO CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943495 1065628453 /nfs/dbraw/zinc/62/84/53/1065628453.db2.gz OELZNXWKQBSLEG-PZJWPPBQSA-N 1 1 454.619 2.786 20 0 JFADMO CC(=O)N[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC001292948794 1065629144 /nfs/dbraw/zinc/62/91/44/1065629144.db2.gz IBCXMZVHNZQUAA-PMACEKPBSA-N 1 1 450.555 2.699 20 0 JFADMO Cc1nn(CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959055 1065637073 /nfs/dbraw/zinc/63/70/73/1065637073.db2.gz QJHIOKSNJDJCBZ-OAHLLOKOSA-N 1 1 454.541 2.882 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959484 1065637874 /nfs/dbraw/zinc/63/78/74/1065637874.db2.gz YKHGMIMQALUYJH-IBGZPJMESA-N 1 1 456.660 2.712 20 0 JFADMO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001292961556 1065642842 /nfs/dbraw/zinc/64/28/42/1065642842.db2.gz GVHDXNPFCNDWLN-FQEVSTJZSA-N 1 1 470.666 2.733 20 0 JFADMO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292962766 1065645187 /nfs/dbraw/zinc/64/51/87/1065645187.db2.gz IZLTVUMUSJAWKW-RBUKOAKNSA-N 1 1 460.589 2.908 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292977266 1065656876 /nfs/dbraw/zinc/65/68/76/1065656876.db2.gz CAAYOHPGGYPQRF-HSZRJFAPSA-N 1 1 468.646 2.905 20 0 JFADMO CCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979538 1065661362 /nfs/dbraw/zinc/66/13/62/1065661362.db2.gz WYAZYSXJKWRBQC-GOSISDBHSA-N 1 1 464.561 2.715 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292981889 1065666411 /nfs/dbraw/zinc/66/64/11/1065666411.db2.gz LCJYSXLWWDYHEG-FQEVSTJZSA-N 1 1 484.649 2.551 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001292981365 1065666490 /nfs/dbraw/zinc/66/64/90/1065666490.db2.gz IGZGOTBKJPGDKS-OAQYLSRUSA-N 1 1 470.618 2.824 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001292985081 1065668805 /nfs/dbraw/zinc/66/88/05/1065668805.db2.gz DTQAASYGWCJHSV-QFIPXVFZSA-N 1 1 458.603 2.580 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC001292985081 1065668814 /nfs/dbraw/zinc/66/88/14/1065668814.db2.gz DTQAASYGWCJHSV-QFIPXVFZSA-N 1 1 458.603 2.580 20 0 JFADMO CC[N@H+]1CCCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1 ZINC001293013621 1065692530 /nfs/dbraw/zinc/69/25/30/1065692530.db2.gz AGFIAXHEHNWPJB-QFIPXVFZSA-N 1 1 455.603 2.921 20 0 JFADMO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001293030707 1065701014 /nfs/dbraw/zinc/70/10/14/1065701014.db2.gz WZGIGHMOYWHHAA-NFBKMPQASA-N 1 1 488.702 2.785 20 0 JFADMO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293035552 1065704207 /nfs/dbraw/zinc/70/42/07/1065704207.db2.gz NSAGEKOXFWGMCN-PMACEKPBSA-N 1 1 491.681 2.619 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001293039942 1065707756 /nfs/dbraw/zinc/70/77/56/1065707756.db2.gz CIVBAZJGMRPCOQ-FCHUYYIVSA-N 1 1 484.645 2.949 20 0 JFADMO CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001293059864 1065714636 /nfs/dbraw/zinc/71/46/36/1065714636.db2.gz HUTANRVOPQDCHN-DENIHFKCSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001293059864 1065714650 /nfs/dbraw/zinc/71/46/50/1065714650.db2.gz HUTANRVOPQDCHN-DENIHFKCSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001293081137 1065730281 /nfs/dbraw/zinc/73/02/81/1065730281.db2.gz FHZDNCLZUULHCY-SFHVURJKSA-N 1 1 492.043 2.621 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082997 1065733108 /nfs/dbraw/zinc/73/31/08/1065733108.db2.gz CYORDHIJEPGLJV-QGZVFWFLSA-N 1 1 466.508 2.530 20 0 JFADMO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293084989 1065735290 /nfs/dbraw/zinc/73/52/90/1065735290.db2.gz AAAXUSAHHGYBIJ-OYRHEFFESA-N 1 1 460.667 2.959 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293094290 1065743385 /nfs/dbraw/zinc/74/33/85/1065743385.db2.gz DGSQASGZQOBUGO-HNNXBMFYSA-N 1 1 458.533 2.689 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001293094691 1065743784 /nfs/dbraw/zinc/74/37/84/1065743784.db2.gz NSFUMFYNQDPSNY-SFTDATJTSA-N 1 1 459.683 2.674 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001293094689 1065743856 /nfs/dbraw/zinc/74/38/56/1065743856.db2.gz NSFUMFYNQDPSNY-RTWAWAEBSA-N 1 1 459.683 2.674 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001293096434 1065746143 /nfs/dbraw/zinc/74/61/43/1065746143.db2.gz QZSXPZCKDNNUNE-KRWDZBQOSA-N 1 1 474.656 2.742 20 0 JFADMO Cc1cc(OCC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1Br ZINC001293109774 1065755487 /nfs/dbraw/zinc/75/54/87/1065755487.db2.gz SAXQTJLUYYVUOS-UHFFFAOYSA-N 1 1 452.393 2.539 20 0 JFADMO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293109980 1065755508 /nfs/dbraw/zinc/75/55/08/1065755508.db2.gz YTEQOEFJIIWRJN-OAQYLSRUSA-N 1 1 483.709 2.663 20 0 JFADMO C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001293111649 1065757921 /nfs/dbraw/zinc/75/79/21/1065757921.db2.gz NRQLCYIPOXUFPE-INIZCTEOSA-N 1 1 452.393 2.619 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293121883 1065774542 /nfs/dbraw/zinc/77/45/42/1065774542.db2.gz XEAFDCYXIKLYEW-HSZRJFAPSA-N 1 1 467.662 2.543 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001293123575 1065776253 /nfs/dbraw/zinc/77/62/53/1065776253.db2.gz JQMWKNJIYYYVCG-UHFFFAOYSA-N 1 1 470.618 2.958 20 0 JFADMO CCc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293126671 1065777641 /nfs/dbraw/zinc/77/76/41/1065777641.db2.gz BXCZNSCVCDJLME-UHFFFAOYSA-N 1 1 457.642 2.575 20 0 JFADMO CCc1nnc(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293127588 1065778542 /nfs/dbraw/zinc/77/85/42/1065778542.db2.gz MKMRJLUAUBHMLO-DEOSSOPVSA-N 1 1 486.661 2.537 20 0 JFADMO CCc1nnc(N2CCN(Cc3cc(F)ccc3OC)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293128022 1065779034 /nfs/dbraw/zinc/77/90/34/1065779034.db2.gz UQCWBDPCCXVONX-JOCHJYFZSA-N 1 1 474.625 2.667 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001293129634 1065780427 /nfs/dbraw/zinc/78/04/27/1065780427.db2.gz BTAPJKQAECLLQB-QGZVFWFLSA-N 1 1 454.497 2.526 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130281 1065780919 /nfs/dbraw/zinc/78/09/19/1065780919.db2.gz FFZKUXOYSQFLGW-FQEVSTJZSA-N 1 1 454.610 2.897 20 0 JFADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCN(C)CC(F)(F)F ZINC001293130644 1065781488 /nfs/dbraw/zinc/78/14/88/1065781488.db2.gz JITHXTPRNAIGOC-KDURUIRLSA-N 1 1 459.605 2.720 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001293130523 1065781586 /nfs/dbraw/zinc/78/15/86/1065781586.db2.gz HVUFDGQTPUQYEI-CQOQZXRMSA-N 1 1 476.710 2.913 20 0 JFADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001293131643 1065783971 /nfs/dbraw/zinc/78/39/71/1065783971.db2.gz RGAXIUXOYRCWBD-SZPZYZBQSA-N 1 1 481.689 2.780 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001293131830 1065784609 /nfs/dbraw/zinc/78/46/09/1065784609.db2.gz UEKBOSYCEWGHRW-HXUWFJFHSA-N 1 1 460.623 2.709 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001293135404 1065785990 /nfs/dbraw/zinc/78/59/90/1065785990.db2.gz CXWAOHMWVDVOTQ-LJQANCHMSA-N 1 1 450.628 2.787 20 0 JFADMO CCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293161487 1065798568 /nfs/dbraw/zinc/79/85/68/1065798568.db2.gz QFLDLCQPNNAXQT-IBGZPJMESA-N 1 1 450.628 2.835 20 0 JFADMO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293178315 1065802851 /nfs/dbraw/zinc/80/28/51/1065802851.db2.gz SLPYZNJZVMGQFU-VAMGGRTRSA-N 1 1 492.665 2.711 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc([C@@H](C)CC)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184114 1065806007 /nfs/dbraw/zinc/80/60/07/1065806007.db2.gz CCKMZXFCVSTKCV-RBUKOAKNSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc([C@@H](C)CC)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184114 1065806018 /nfs/dbraw/zinc/80/60/18/1065806018.db2.gz CCKMZXFCVSTKCV-RBUKOAKNSA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293190683 1065817612 /nfs/dbraw/zinc/81/76/12/1065817612.db2.gz YQPQVTKEPWQYPB-SFTDATJTSA-N 1 1 488.681 2.662 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293209394 1065844333 /nfs/dbraw/zinc/84/43/33/1065844333.db2.gz ZYUWWKAXEWKFAD-UHFFFAOYSA-N 1 1 462.668 2.643 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293209394 1065844344 /nfs/dbraw/zinc/84/43/44/1065844344.db2.gz ZYUWWKAXEWKFAD-UHFFFAOYSA-N 1 1 462.668 2.643 20 0 JFADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210951 1065846488 /nfs/dbraw/zinc/84/64/88/1065846488.db2.gz KNJWXTFHJCAZSH-SOKVYYICSA-N 1 1 456.450 2.622 20 0 JFADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210951 1065846499 /nfs/dbraw/zinc/84/64/99/1065846499.db2.gz KNJWXTFHJCAZSH-SOKVYYICSA-N 1 1 456.450 2.622 20 0 JFADMO Cc1c(Br)ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1N ZINC001293215723 1065852748 /nfs/dbraw/zinc/85/27/48/1065852748.db2.gz UPAVFJUIFWVUFW-KRWDZBQOSA-N 1 1 459.388 2.967 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3csc(Nc4ccccn4)n3)c2)C1 ZINC001293215824 1065853325 /nfs/dbraw/zinc/85/33/25/1065853325.db2.gz WUBWHSZHZWCSCR-GOSISDBHSA-N 1 1 450.568 2.909 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293219630 1065867112 /nfs/dbraw/zinc/86/71/12/1065867112.db2.gz WWCKNUSKPZBDQG-JOCHJYFZSA-N 1 1 481.689 2.983 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293219630 1065867117 /nfs/dbraw/zinc/86/71/17/1065867117.db2.gz WWCKNUSKPZBDQG-JOCHJYFZSA-N 1 1 481.689 2.983 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293219630 1065867127 /nfs/dbraw/zinc/86/71/27/1065867127.db2.gz WWCKNUSKPZBDQG-JOCHJYFZSA-N 1 1 481.689 2.983 20 0 JFADMO O=C(CSc1ccccc1C(=O)NCC[NH+]1CCSCC1)Nc1ccc2c(c1)OCO2 ZINC001293219816 1065867774 /nfs/dbraw/zinc/86/77/74/1065867774.db2.gz NRGJGHAMOFGVBV-UHFFFAOYSA-N 1 1 459.593 2.925 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293221104 1065874137 /nfs/dbraw/zinc/87/41/37/1065874137.db2.gz WSPVODZZOQHUCP-QFBILLFUSA-N 1 1 462.545 2.993 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293238585 1065894379 /nfs/dbraw/zinc/89/43/79/1065894379.db2.gz GPCXKKLYHBWQLQ-SVFBPWRDSA-N 1 1 453.635 2.735 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1CCCCn1cc[nH+]c1C ZINC001293242098 1065902537 /nfs/dbraw/zinc/90/25/37/1065902537.db2.gz IZKHYYYZRIRRCM-NRFANRHFSA-N 1 1 451.575 2.866 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cc[nH+]c1C ZINC001293242051 1065902641 /nfs/dbraw/zinc/90/26/41/1065902641.db2.gz HRBGQJPPTXKHNV-OAQYLSRUSA-N 1 1 451.575 2.784 20 0 JFADMO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293253336 1065917720 /nfs/dbraw/zinc/91/77/20/1065917720.db2.gz LFMOPIAVWCMZEN-HNNXBMFYSA-N 1 1 452.477 2.667 20 0 JFADMO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293253336 1065917725 /nfs/dbraw/zinc/91/77/25/1065917725.db2.gz LFMOPIAVWCMZEN-HNNXBMFYSA-N 1 1 452.477 2.667 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293254547 1065918569 /nfs/dbraw/zinc/91/85/69/1065918569.db2.gz ZCGDQCUDSNIEND-RTBURBONSA-N 1 1 454.623 2.576 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255471 1065919867 /nfs/dbraw/zinc/91/98/67/1065919867.db2.gz VYRJYCAGWUUTCC-QXAKKESOSA-N 1 1 458.603 2.539 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255471 1065919876 /nfs/dbraw/zinc/91/98/76/1065919876.db2.gz VYRJYCAGWUUTCC-QXAKKESOSA-N 1 1 458.603 2.539 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293257607 1065921776 /nfs/dbraw/zinc/92/17/76/1065921776.db2.gz MSDFPRHCACYJTN-KAGYGMCKSA-N 1 1 475.659 2.820 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293298897 1065939618 /nfs/dbraw/zinc/93/96/18/1065939618.db2.gz DCPDTLPFWHZHQP-OTPAQWSUSA-N 1 1 462.683 2.970 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293321118 1065948227 /nfs/dbraw/zinc/94/82/27/1065948227.db2.gz LRVVKHGESMWJIG-FNAHDJPLSA-N 1 1 496.722 2.890 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293329592 1065951393 /nfs/dbraw/zinc/95/13/93/1065951393.db2.gz IGCQRBKACODTKG-YHINDDMVSA-N 1 1 476.666 2.570 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)Cn2nc(Br)c(Br)n2)[nH+]1 ZINC001293342914 1065956916 /nfs/dbraw/zinc/95/69/16/1065956916.db2.gz WIECSPXOYYGVJB-LLVKDONJSA-N 1 1 458.158 2.610 20 0 JFADMO CN(CCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350005 1065960214 /nfs/dbraw/zinc/96/02/14/1065960214.db2.gz LGHOFYOIVFVSCM-LJQANCHMSA-N 1 1 450.583 2.619 20 0 JFADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352634 1065961018 /nfs/dbraw/zinc/96/10/18/1065961018.db2.gz YBFSTDDQJIHYSB-RBUKOAKNSA-N 1 1 452.640 2.909 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C ZINC001293357927 1065963474 /nfs/dbraw/zinc/96/34/74/1065963474.db2.gz BPWKQUBRYHGYFT-HXUWFJFHSA-N 1 1 465.606 2.868 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001293362648 1065966323 /nfs/dbraw/zinc/96/63/23/1065966323.db2.gz FTEIIZIMYFXRTI-DOTOQJQBSA-N 1 1 478.439 2.967 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363044 1065966617 /nfs/dbraw/zinc/96/66/17/1065966617.db2.gz GNDXOVDKXBNWIV-MOPGFXCFSA-N 1 1 470.684 2.547 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001293364366 1065969011 /nfs/dbraw/zinc/96/90/11/1065969011.db2.gz FMULGOBRWULZDY-RTWAWAEBSA-N 1 1 468.650 2.988 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293366563 1065971775 /nfs/dbraw/zinc/97/17/75/1065971775.db2.gz WADJQSHEYDCCJT-NRFANRHFSA-N 1 1 456.639 2.638 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369488 1065972983 /nfs/dbraw/zinc/97/29/83/1065972983.db2.gz GWLHZTYVINKLQO-VAMGGRTRSA-N 1 1 489.665 2.939 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 ZINC001293369352 1065973000 /nfs/dbraw/zinc/97/30/00/1065973000.db2.gz DWNNVCMUHAAGQM-UNMCSNQZSA-N 1 1 490.674 2.952 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001293371833 1065975017 /nfs/dbraw/zinc/97/50/17/1065975017.db2.gz GSCLNCSTMVFJNY-NRFANRHFSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372546 1065975768 /nfs/dbraw/zinc/97/57/68/1065975768.db2.gz OPQCZWAMJROECV-NJDAHSKKSA-N 1 1 492.665 2.776 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293372700 1065976162 /nfs/dbraw/zinc/97/61/62/1065976162.db2.gz KUUYBERNJJZFKV-LJQANCHMSA-N 1 1 485.599 2.739 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001293373284 1065977189 /nfs/dbraw/zinc/97/71/89/1065977189.db2.gz MXDUUIDEDMVZHM-HXUWFJFHSA-N 1 1 464.609 2.791 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001293373424 1065977468 /nfs/dbraw/zinc/97/74/68/1065977468.db2.gz PZLULYLXQBKZSH-UYAOXDASSA-N 1 1 452.669 2.528 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293373550 1065977832 /nfs/dbraw/zinc/97/78/32/1065977832.db2.gz PNPBTYDMIGFZOQ-FGZHOGPDSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373575 1065978223 /nfs/dbraw/zinc/97/82/23/1065978223.db2.gz QDHVFAFUNVMAIC-RTWAWAEBSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293375097 1065981137 /nfs/dbraw/zinc/98/11/37/1065981137.db2.gz ZYMZNMVIFLEKHO-MZKRTTBSSA-N 1 1 467.680 2.840 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O ZINC001293376588 1065981799 /nfs/dbraw/zinc/98/17/99/1065981799.db2.gz CVHCCLPDTGFHEJ-USXIJHARSA-N 1 1 486.593 2.673 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293378783 1065982946 /nfs/dbraw/zinc/98/29/46/1065982946.db2.gz LUDRTQYDLIFUCY-CMOCDZPBSA-N 1 1 497.706 2.670 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293379409 1065983796 /nfs/dbraw/zinc/98/37/96/1065983796.db2.gz OUYYNBKUZHUTOE-KNQAVFIVSA-N 1 1 491.658 2.754 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293380070 1065984654 /nfs/dbraw/zinc/98/46/54/1065984654.db2.gz VRTRJCCBYSEUJJ-FBLLAGFSSA-N 1 1 476.666 2.688 20 0 JFADMO CC[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001293388047 1065988974 /nfs/dbraw/zinc/98/89/74/1065988974.db2.gz XXVJAXXICWTYNL-WIOPSUGQSA-N 1 1 462.683 2.973 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293388147 1065989322 /nfs/dbraw/zinc/98/93/22/1065989322.db2.gz XJFQKVGGXMUZFN-WOJBJXKFSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293388147 1065989337 /nfs/dbraw/zinc/98/93/37/1065989337.db2.gz XJFQKVGGXMUZFN-WOJBJXKFSA-N 1 1 490.674 2.543 20 0 JFADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)CC2)C1 ZINC001293435767 1066006062 /nfs/dbraw/zinc/00/60/62/1066006062.db2.gz PXOSNPXSMUFPOB-XLGIIRLISA-N 1 1 456.631 2.850 20 0 JFADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)CC2)C1 ZINC001293435766 1066006113 /nfs/dbraw/zinc/00/61/13/1066006113.db2.gz PXOSNPXSMUFPOB-MCEYFSPLSA-N 1 1 456.631 2.850 20 0 JFADMO CCC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@@H+](C)CCCOC)CC1 ZINC001293478725 1066019283 /nfs/dbraw/zinc/01/92/83/1066019283.db2.gz WIZLFWZZFAIJEM-UHFFFAOYSA-N 1 1 467.618 2.787 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC001293506111 1066029689 /nfs/dbraw/zinc/02/96/89/1066029689.db2.gz ANSNZRVOLNILON-OXQOHEQNSA-N 1 1 479.000 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001293507714 1066031692 /nfs/dbraw/zinc/03/16/92/1066031692.db2.gz CDUVFZJEZRREFS-IBGZPJMESA-N 1 1 467.549 2.660 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCS1 ZINC001293508842 1066033034 /nfs/dbraw/zinc/03/30/34/1066033034.db2.gz FTBMBZGQJSBAIJ-PMACEKPBSA-N 1 1 486.690 2.531 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC[N@H+]1CCOC ZINC001293510533 1066035961 /nfs/dbraw/zinc/03/59/61/1066035961.db2.gz SGPRYQYLDFEJAU-LJQANCHMSA-N 1 1 476.572 2.582 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293516873 1066040108 /nfs/dbraw/zinc/04/01/08/1066040108.db2.gz CBJFWURSMABLIY-RTBURBONSA-N 1 1 485.620 2.954 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC[N@H+]1CCOC ZINC001293517146 1066040305 /nfs/dbraw/zinc/04/03/05/1066040305.db2.gz HMMYZHXOZXYVAJ-SFHVURJKSA-N 1 1 461.014 2.887 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC001293517796 1066040661 /nfs/dbraw/zinc/04/06/61/1066040661.db2.gz JESHCJRVGMBUHG-FQEVSTJZSA-N 1 1 460.598 2.826 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293518935 1066040991 /nfs/dbraw/zinc/04/09/91/1066040991.db2.gz IRHGWRLMDKZFAQ-NRFANRHFSA-N 1 1 456.635 2.781 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293520638 1066042614 /nfs/dbraw/zinc/04/26/14/1066042614.db2.gz ZLVGJRPYOISFDO-CTNGQTDRSA-N 1 1 460.667 2.914 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524102 1066045245 /nfs/dbraw/zinc/04/52/45/1066045245.db2.gz KXZWMWLPFAHUQN-XUVXKRRUSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CC[N@H+]1CCOC ZINC001293533767 1066052638 /nfs/dbraw/zinc/05/26/38/1066052638.db2.gz SPYZJDRBBBXHJP-GOSISDBHSA-N 1 1 464.408 2.780 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CCN1CCOC ZINC001293538953 1066056959 /nfs/dbraw/zinc/05/69/59/1066056959.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CCN1CCOC ZINC001293538953 1066056970 /nfs/dbraw/zinc/05/69/70/1066056970.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)COC2)CC[N@H+]1CCOC ZINC001293539220 1066057507 /nfs/dbraw/zinc/05/75/07/1066057507.db2.gz INIFQNWSJRJHJK-LJQANCHMSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293540124 1066059141 /nfs/dbraw/zinc/05/91/41/1066059141.db2.gz LXEXICBVLCOJCF-TUNNFDKTSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001293542246 1066062373 /nfs/dbraw/zinc/06/23/73/1066062373.db2.gz ZFYKBZVVKWODAH-CTNGQTDRSA-N 1 1 492.690 2.929 20 0 JFADMO C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543251 1066063318 /nfs/dbraw/zinc/06/33/18/1066063318.db2.gz XPVGPTRKZOTOJK-KURKYZTESA-N 1 1 457.040 2.905 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001293548875 1066064868 /nfs/dbraw/zinc/06/48/68/1066064868.db2.gz BIQGXYHJANTSPQ-DYESRHJHSA-N 1 1 464.408 2.698 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](COC)OC)C[C@H]1[NH+]1CCOCC1 ZINC001293549463 1066065212 /nfs/dbraw/zinc/06/52/12/1066065212.db2.gz LSUCGCKUWLSCEG-DUXKGJEZSA-N 1 1 464.010 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ncnn2C(C)(C)C)CC[N@H+]1CCOC ZINC001293550496 1066066190 /nfs/dbraw/zinc/06/61/90/1066066190.db2.gz XWOFYGHNMHQCQG-GOSISDBHSA-N 1 1 456.595 2.788 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001293553404 1066068298 /nfs/dbraw/zinc/06/82/98/1066068298.db2.gz DTKLBAPUQHVKNS-QGZVFWFLSA-N 1 1 482.423 2.910 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@H]1N1CCOCC1 ZINC001293553602 1066068351 /nfs/dbraw/zinc/06/83/51/1066068351.db2.gz QWYFXHNLWALGLF-PGRDOPGGSA-N 1 1 495.043 2.863 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293555042 1066069243 /nfs/dbraw/zinc/06/92/43/1066069243.db2.gz BRVXEJDMNDKOLH-WIYYLYMNSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](CC)C1 ZINC001293555114 1066069734 /nfs/dbraw/zinc/06/97/34/1066069734.db2.gz IRYQISWKEFWGCC-YLJYHZDGSA-N 1 1 455.636 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293556940 1066071180 /nfs/dbraw/zinc/07/11/80/1066071180.db2.gz KQWOOQZSVFGFPJ-OFVILXPXSA-N 1 1 488.702 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001293557899 1066071505 /nfs/dbraw/zinc/07/15/05/1066071505.db2.gz PKKWGQZNQFMAAZ-KNKQGSTJSA-N 1 1 473.618 2.792 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293559737 1066074224 /nfs/dbraw/zinc/07/42/24/1066074224.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 1 1 456.635 2.603 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293565277 1066077406 /nfs/dbraw/zinc/07/74/06/1066077406.db2.gz KSZXHIVSIVSFTK-MEKIYTOJSA-N 1 1 478.037 2.933 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293566382 1066079459 /nfs/dbraw/zinc/07/94/59/1066079459.db2.gz SMESORLMUSGIBE-PXNSSMCTSA-N 1 1 461.010 2.624 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293567206 1066080581 /nfs/dbraw/zinc/08/05/81/1066080581.db2.gz YLHZRHTXHLEFIJ-IRLDBZIGSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001293568675 1066080904 /nfs/dbraw/zinc/08/09/04/1066080904.db2.gz QZMJKJPEYLVNES-MOPGFXCFSA-N 1 1 481.567 2.771 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC[N@H+]1CCOC ZINC001293568151 1066080990 /nfs/dbraw/zinc/08/09/90/1066080990.db2.gz NMNIMKWOUICDSM-KRWDZBQOSA-N 1 1 457.604 2.709 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293572219 1066083794 /nfs/dbraw/zinc/08/37/94/1066083794.db2.gz RIECKVOHQHWDOB-RCZVLFRGSA-N 1 1 468.577 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001293572709 1066084477 /nfs/dbraw/zinc/08/44/77/1066084477.db2.gz SWUHHMCXFONAAY-QFIPXVFZSA-N 1 1 465.602 2.837 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC[N@H+]1CCOC ZINC001293574590 1066085401 /nfs/dbraw/zinc/08/54/01/1066085401.db2.gz FYVJVOITISSTTP-QFIPXVFZSA-N 1 1 467.618 2.785 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(N)=O)c2)CC[N@H+]1CCOC ZINC001293579976 1066089783 /nfs/dbraw/zinc/08/97/83/1066089783.db2.gz SNOPFGRCRCPEHK-JOCHJYFZSA-N 1 1 477.613 2.537 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293585519 1066094101 /nfs/dbraw/zinc/09/41/01/1066094101.db2.gz QTZWWILZBNEDOV-SJBKTWHCSA-N 1 1 470.618 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293592614 1066098223 /nfs/dbraw/zinc/09/82/23/1066098223.db2.gz BVDBJTSNKUKMJC-XZOQPEGZSA-N 1 1 462.683 2.841 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001293593989 1066100575 /nfs/dbraw/zinc/10/05/75/1066100575.db2.gz GMZGOQCJJWPCAF-SFTDATJTSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@H+]1CCOC ZINC001293595464 1066104166 /nfs/dbraw/zinc/10/41/66/1066104166.db2.gz SCIPZVWURIZNLI-VXKWHMMOSA-N 1 1 456.635 2.638 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293595654 1066104690 /nfs/dbraw/zinc/10/46/90/1066104690.db2.gz PLAKOPABGAUESP-RBBKRZOGSA-N 1 1 470.618 2.748 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@H+]1CCOC ZINC001293596120 1066106551 /nfs/dbraw/zinc/10/65/51/1066106551.db2.gz QCQOPQIKYZGTGW-MOPGFXCFSA-N 1 1 476.647 2.558 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001293596106 1066106598 /nfs/dbraw/zinc/10/65/98/1066106598.db2.gz PZYVLRIUEYSPQT-RTWAWAEBSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001293596860 1066108541 /nfs/dbraw/zinc/10/85/41/1066108541.db2.gz SEJDKOCFXBEWDJ-VXKWHMMOSA-N 1 1 457.619 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC[N@H+]1CCOC ZINC001293602513 1066118998 /nfs/dbraw/zinc/11/89/98/1066118998.db2.gz XNPUWQCUJKXBAN-WIYYLYMNSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC[N@H+]1CCOC ZINC001293603333 1066119990 /nfs/dbraw/zinc/11/99/90/1066119990.db2.gz XIQWNHMULIIRQG-NRFANRHFSA-N 1 1 456.635 2.755 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@@H]1[NH+]1CCOCC1 ZINC001293608551 1066123793 /nfs/dbraw/zinc/12/37/93/1066123793.db2.gz MYSNMGJQLGGWMU-GCJKJVERSA-N 1 1 463.573 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@@H]1[NH+]1CCOCC1 ZINC001293608548 1066123856 /nfs/dbraw/zinc/12/38/56/1066123856.db2.gz MYSNMGJQLGGWMU-AVRDEDQJSA-N 1 1 463.573 2.857 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293609664 1066124746 /nfs/dbraw/zinc/12/47/46/1066124746.db2.gz AAWJIEMBPOUQGR-UNMCSNQZSA-N 1 1 486.636 2.860 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC[N@@H+]1CCOC ZINC001293611517 1066127044 /nfs/dbraw/zinc/12/70/44/1066127044.db2.gz XZICGEQLAXSYDH-WEZXKFLESA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC[N@H+]1CCOC ZINC001293611517 1066127047 /nfs/dbraw/zinc/12/70/47/1066127047.db2.gz XZICGEQLAXSYDH-WEZXKFLESA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001293613451 1066130557 /nfs/dbraw/zinc/13/05/57/1066130557.db2.gz RYIXKDAEOTWSNV-RCZVLFRGSA-N 1 1 457.619 2.530 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293616916 1066133794 /nfs/dbraw/zinc/13/37/94/1066133794.db2.gz PVCORXINZUWBEA-NVQXNPDNSA-N 1 1 482.629 2.928 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCc2nccnc2C)CC[N@H+]1CCOC ZINC001293619359 1066135471 /nfs/dbraw/zinc/13/54/71/1066135471.db2.gz BFTVVRQIGNEYJQ-FQEVSTJZSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[S@](=O)CC)CCS1 ZINC001293628444 1066142943 /nfs/dbraw/zinc/14/29/43/1066142943.db2.gz IBUSQJHICQWSGV-ULKXQASOSA-N 1 1 490.743 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293640836 1066157307 /nfs/dbraw/zinc/15/73/07/1066157307.db2.gz UQTVMRQKSNTLRY-BWKNWUBXSA-N 1 1 473.618 2.518 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293643147 1066158212 /nfs/dbraw/zinc/15/82/12/1066158212.db2.gz AXTMVXOIOSJJMD-ROUUACIJSA-N 1 1 483.535 2.967 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293643793 1066159160 /nfs/dbraw/zinc/15/91/60/1066159160.db2.gz HIBWPWGERZNEPI-LEWJYISDSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645679 1066161190 /nfs/dbraw/zinc/16/11/90/1066161190.db2.gz XNFOZKOJNWLIGK-PZJWPPBQSA-N 1 1 488.608 2.554 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001293651873 1066164093 /nfs/dbraw/zinc/16/40/93/1066164093.db2.gz GFIQVPYERCYPQC-ZCNNSNEGSA-N 1 1 492.665 2.775 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001293651873 1066164096 /nfs/dbraw/zinc/16/40/96/1066164096.db2.gz GFIQVPYERCYPQC-ZCNNSNEGSA-N 1 1 492.665 2.775 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001293652698 1066165003 /nfs/dbraw/zinc/16/50/03/1066165003.db2.gz JZGULNBBWQQBQX-ZCNNSNEGSA-N 1 1 460.623 2.926 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@](C)(O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293652885 1066165160 /nfs/dbraw/zinc/16/51/60/1066165160.db2.gz YXQPDLWDIFXOLX-KJWPAHLWSA-N 1 1 457.619 2.874 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2)CC[N@H+]1CCOC ZINC001293654228 1066167089 /nfs/dbraw/zinc/16/70/89/1066167089.db2.gz SYIVSUHSQYNXDG-PZJWPPBQSA-N 1 1 459.591 2.742 20 0 JFADMO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293683465 1066174007 /nfs/dbraw/zinc/17/40/07/1066174007.db2.gz QIDATRZUYROAPC-IZRJCCQOSA-N 1 1 468.602 2.671 20 0 JFADMO CC/C=C\Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293703806 1066177736 /nfs/dbraw/zinc/17/77/36/1066177736.db2.gz LWXISKWJQSHTCQ-QJKPHDSHSA-N 1 1 458.651 2.909 20 0 JFADMO CC/C=C\Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293703803 1066177748 /nfs/dbraw/zinc/17/77/48/1066177748.db2.gz LWXISKWJQSHTCQ-LXHZQTKUSA-N 1 1 458.651 2.909 20 0 JFADMO CC/C=C\Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293726206 1066185162 /nfs/dbraw/zinc/18/51/62/1066185162.db2.gz PPYZIWZLOWRAGN-TYMZIRIGSA-N 1 1 460.667 2.891 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(COCC)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC001293735042 1066192109 /nfs/dbraw/zinc/19/21/09/1066192109.db2.gz AQFQKFRIJYVQOT-SIKLNZKXSA-N 1 1 470.618 2.758 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293743716 1066211158 /nfs/dbraw/zinc/21/11/58/1066211158.db2.gz UCXXFZVNAGQRKL-SBUREZEXSA-N 1 1 461.010 2.550 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293743714 1066211179 /nfs/dbraw/zinc/21/11/79/1066211179.db2.gz UCXXFZVNAGQRKL-GAJHUEQPSA-N 1 1 461.010 2.550 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001293772934 1066262292 /nfs/dbraw/zinc/26/22/92/1066262292.db2.gz DVGRXDBEWWZFBP-UHFFFAOYSA-N 1 1 498.672 2.873 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293784088 1066281935 /nfs/dbraw/zinc/28/19/35/1066281935.db2.gz HSHPVPPMAFZRMG-OALUTQOASA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293784088 1066281948 /nfs/dbraw/zinc/28/19/48/1066281948.db2.gz HSHPVPPMAFZRMG-OALUTQOASA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293785262 1066284349 /nfs/dbraw/zinc/28/43/49/1066284349.db2.gz MMXGROMBVLVSOU-XDHUDOTRSA-N 1 1 493.027 2.937 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293786084 1066286752 /nfs/dbraw/zinc/28/67/52/1066286752.db2.gz DVFBUCRAEFTXDR-FCHUYYIVSA-N 1 1 483.661 2.830 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001293787519 1066292655 /nfs/dbraw/zinc/29/26/55/1066292655.db2.gz COPUETIKIFWAJL-ACRUOGEOSA-N 1 1 473.666 2.626 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001293795367 1066303120 /nfs/dbraw/zinc/30/31/20/1066303120.db2.gz UGDMCEUHZMPWDN-DHIUTWEWSA-N 1 1 468.646 2.874 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001293795367 1066303136 /nfs/dbraw/zinc/30/31/36/1066303136.db2.gz UGDMCEUHZMPWDN-DHIUTWEWSA-N 1 1 468.646 2.874 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001293818642 1066325633 /nfs/dbraw/zinc/32/56/33/1066325633.db2.gz LTESBGDYHNRQPC-BKSPAHHJSA-N 1 1 454.619 2.881 20 0 JFADMO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818873 1066326311 /nfs/dbraw/zinc/32/63/11/1066326311.db2.gz ASPTXHOAKTXYCX-SWHJIRTISA-N 1 1 460.667 2.866 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822512 1066330119 /nfs/dbraw/zinc/33/01/19/1066330119.db2.gz VALQIDBXOKXZLE-BLFHIAQRSA-N 1 1 483.661 2.579 20 0 JFADMO CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001293835238 1066339821 /nfs/dbraw/zinc/33/98/21/1066339821.db2.gz LDBYYFQAJKCAFY-VWLOTQADSA-N 1 1 454.619 2.664 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001293852619 1066358569 /nfs/dbraw/zinc/35/85/69/1066358569.db2.gz YBCQPFUECKTMMR-UUOWRZLLSA-N 1 1 490.052 2.847 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293853720 1066360274 /nfs/dbraw/zinc/36/02/74/1066360274.db2.gz WJVRREYYCOJUCD-LJQANCHMSA-N 1 1 482.633 2.845 20 0 JFADMO O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293855027 1066361762 /nfs/dbraw/zinc/36/17/62/1066361762.db2.gz KKJKQNOJPQVHMS-UHFFFAOYSA-N 1 1 453.583 2.956 20 0 JFADMO C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293855031 1066362207 /nfs/dbraw/zinc/36/22/07/1066362207.db2.gz KNSIMISGWMSNIO-KRWDZBQOSA-N 1 1 454.036 2.898 20 0 JFADMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC001293856009 1066363213 /nfs/dbraw/zinc/36/32/13/1066363213.db2.gz VLLBDUFQKQEPRK-UHFFFAOYSA-N 1 1 456.524 2.931 20 0 JFADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc3ccnc(Cl)c3s2)CC1 ZINC001293860316 1066368259 /nfs/dbraw/zinc/36/82/59/1066368259.db2.gz MMRVRKYBHLBODK-UHFFFAOYSA-N 1 1 450.992 2.640 20 0 JFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC001293863531 1066374540 /nfs/dbraw/zinc/37/45/40/1066374540.db2.gz DFEHIWOMRVATCQ-ZYRMUBPZSA-N 1 1 459.587 2.591 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293877658 1066387239 /nfs/dbraw/zinc/38/72/39/1066387239.db2.gz QNGVLOTYIANVNF-FQEVSTJZSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293877658 1066387258 /nfs/dbraw/zinc/38/72/58/1066387258.db2.gz QNGVLOTYIANVNF-FQEVSTJZSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293877658 1066387274 /nfs/dbraw/zinc/38/72/74/1066387274.db2.gz QNGVLOTYIANVNF-FQEVSTJZSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293911598 1066397976 /nfs/dbraw/zinc/39/79/76/1066397976.db2.gz UQBJCAWXPFJQJQ-LJQANCHMSA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293911598 1066397990 /nfs/dbraw/zinc/39/79/90/1066397990.db2.gz UQBJCAWXPFJQJQ-LJQANCHMSA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293911598 1066398000 /nfs/dbraw/zinc/39/80/00/1066398000.db2.gz UQBJCAWXPFJQJQ-LJQANCHMSA-N 1 1 490.722 2.889 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293943809 1066431430 /nfs/dbraw/zinc/43/14/30/1066431430.db2.gz DMPKSLCWKOVWEN-HBMCJLEFSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293943810 1066432113 /nfs/dbraw/zinc/43/21/13/1066432113.db2.gz DMPKSLCWKOVWEN-PCCBWWKXSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001293959292 1066457944 /nfs/dbraw/zinc/45/79/44/1066457944.db2.gz OQXQIRPKDDUNOX-HLAWJBBLSA-N 1 1 490.674 2.683 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001293959294 1066457975 /nfs/dbraw/zinc/45/79/75/1066457975.db2.gz OQXQIRPKDDUNOX-SESVDKBCSA-N 1 1 490.674 2.683 20 0 JFADMO CCC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001293969822 1066471356 /nfs/dbraw/zinc/47/13/56/1066471356.db2.gz YQEZNCKPZIGHDJ-FQEVSTJZSA-N 1 1 454.623 2.771 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294007367 1066506175 /nfs/dbraw/zinc/50/61/75/1066506175.db2.gz UDBHCLBUKWUMJM-DENIHFKCSA-N 1 1 473.666 2.628 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001294007562 1066506640 /nfs/dbraw/zinc/50/66/40/1066506640.db2.gz WCBKWXAPGPPQKE-IBGZPJMESA-N 1 1 467.680 2.576 20 0 JFADMO CCCC(O)(CCC)Cn1c(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001294012973 1066508490 /nfs/dbraw/zinc/50/84/90/1066508490.db2.gz QKSRYZZJCNXRTK-PZJWPPBQSA-N 1 1 462.683 2.896 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(n2)CCCC3)CC[N@H+]1CCOC ZINC001294054329 1066525906 /nfs/dbraw/zinc/52/59/06/1066525906.db2.gz GPQNHMHZHXCCMF-QFIPXVFZSA-N 1 1 483.661 2.676 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)CC[N@H+]1CCOC ZINC001294054687 1066527163 /nfs/dbraw/zinc/52/71/63/1066527163.db2.gz LTVJNMLRPRZKQH-SFHVURJKSA-N 1 1 452.669 2.593 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)CC[N@H+]1CCOC ZINC001294054820 1066527476 /nfs/dbraw/zinc/52/74/76/1066527476.db2.gz OJXZADOEPFJIAT-KRWDZBQOSA-N 1 1 460.545 2.794 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)CC[N@H+]1CCOC ZINC001294056133 1066529990 /nfs/dbraw/zinc/52/99/90/1066529990.db2.gz YQECDPJEKGDEAU-HXUWFJFHSA-N 1 1 485.633 2.679 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CC[N@H+]1CCOC ZINC001294066817 1066536853 /nfs/dbraw/zinc/53/68/53/1066536853.db2.gz FDYQYWOWEHBJPL-HXUWFJFHSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294066833 1066536890 /nfs/dbraw/zinc/53/68/90/1066536890.db2.gz FFRMPNHIQLALKG-SQJMNOBHSA-N 1 1 473.618 2.696 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001294066798 1066536965 /nfs/dbraw/zinc/53/69/65/1066536965.db2.gz JSFDLQZVJKWLLH-NRFANRHFSA-N 1 1 467.618 2.981 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CC[N@H+]1CCOC ZINC001294066914 1066537193 /nfs/dbraw/zinc/53/71/93/1066537193.db2.gz HEPHNPQJZXAOTP-IBGZPJMESA-N 1 1 458.998 2.712 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001294073089 1066542154 /nfs/dbraw/zinc/54/21/54/1066542154.db2.gz JQWOJRDOPQOUHY-NRFANRHFSA-N 1 1 464.618 2.787 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001294077379 1066546497 /nfs/dbraw/zinc/54/64/97/1066546497.db2.gz OISBZPQWZCUOHF-GOSISDBHSA-N 1 1 456.620 2.794 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001294077465 1066547018 /nfs/dbraw/zinc/54/70/18/1066547018.db2.gz PJLJSXCQPKJVDV-IBGZPJMESA-N 1 1 469.565 2.868 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CC[N@H+]1CCOC ZINC001294078316 1066547906 /nfs/dbraw/zinc/54/79/06/1066547906.db2.gz YJKDNYUXVBXIHB-NRFANRHFSA-N 1 1 453.591 2.564 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@H+]1CCOC ZINC001294078594 1066548324 /nfs/dbraw/zinc/54/83/24/1066548324.db2.gz BKCZSBXOLXZFKD-LEWJYISDSA-N 1 1 471.650 2.619 20 0 JFADMO CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294080187 1066548755 /nfs/dbraw/zinc/54/87/55/1066548755.db2.gz COKZGOSHHSHSRN-HKUYNNGSSA-N 1 1 458.573 2.977 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001294082498 1066551849 /nfs/dbraw/zinc/55/18/49/1066551849.db2.gz KSFGXINHVVHRIU-SFHVURJKSA-N 1 1 456.620 2.794 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001294082633 1066552222 /nfs/dbraw/zinc/55/22/22/1066552222.db2.gz MKETYTMIHKCBHL-IPMKNSEASA-N 1 1 468.593 2.992 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294084149 1066553653 /nfs/dbraw/zinc/55/36/53/1066553653.db2.gz ZACUMUHIYILXBP-VXKWHMMOSA-N 1 1 472.634 2.687 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001294085579 1066556069 /nfs/dbraw/zinc/55/60/69/1066556069.db2.gz UWHRUTPNJAUENE-FGZHOGPDSA-N 1 1 454.619 2.717 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001294086962 1066558781 /nfs/dbraw/zinc/55/87/81/1066558781.db2.gz PEOZVTUACZJXEZ-PWRODBHTSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC[N@H+]1CCOC ZINC001294087837 1066560097 /nfs/dbraw/zinc/56/00/97/1066560097.db2.gz XYNBOVXTOJMORS-CJFMBICVSA-N 1 1 460.667 2.815 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001294089495 1066560623 /nfs/dbraw/zinc/56/06/23/1066560623.db2.gz BLFAFOBCGYRIOB-CJAUYULYSA-N 1 1 490.599 2.563 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092055 1066563081 /nfs/dbraw/zinc/56/30/81/1066563081.db2.gz SVSBUKKJVBJAPL-GGAORHGYSA-N 1 1 486.636 2.956 20 0 JFADMO CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635952 719143788 /nfs/dbraw/zinc/14/37/88/719143788.db2.gz XSEVHCNBKTZTAN-WNCULLNHSA-N 1 1 461.610 2.587 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc(OCc5ccccc5)ccc43)CC2)C1=O ZINC001164644065 719284240 /nfs/dbraw/zinc/28/42/40/719284240.db2.gz AXSPBGOYHIYJRZ-UHFFFAOYSA-N 1 1 475.593 2.968 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc(OCc5ccccc5)ccc43)CC2)C1=O ZINC001164644065 719284244 /nfs/dbraw/zinc/28/42/44/719284244.db2.gz AXSPBGOYHIYJRZ-UHFFFAOYSA-N 1 1 475.593 2.968 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@H](F)Oc4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164664249 719356969 /nfs/dbraw/zinc/35/69/69/719356969.db2.gz NEELAJYWLKBBEK-FPOVZHCZSA-N 1 1 450.946 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnnc(Cl)c4)C3)C2)cc[nH+]1 ZINC001164665426 719357041 /nfs/dbraw/zinc/35/70/41/719357041.db2.gz XBDPHWQIEKMAIB-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667819 719426130 /nfs/dbraw/zinc/42/61/30/719426130.db2.gz HIXZVKOQBKGMHB-VQTJNVASSA-N 1 1 468.985 2.916 20 0 JFADMO C[N@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@@H]21 ZINC001164667852 719439680 /nfs/dbraw/zinc/43/96/80/719439680.db2.gz HWNVXOOPPLUORQ-DQEYMECFSA-N 1 1 478.618 2.992 20 0 JFADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164684448 719689696 /nfs/dbraw/zinc/68/96/96/719689696.db2.gz IKKINVZTNQTSRJ-HXUWFJFHSA-N 1 1 487.608 2.559 20 0 JFADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164684448 719689705 /nfs/dbraw/zinc/68/97/05/719689705.db2.gz IKKINVZTNQTSRJ-HXUWFJFHSA-N 1 1 487.608 2.559 20 0 JFADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164684203 719691186 /nfs/dbraw/zinc/69/11/86/719691186.db2.gz HPTXKNAPSUCERM-QGZVFWFLSA-N 1 1 458.994 2.855 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CC2 ZINC001164682259 719704852 /nfs/dbraw/zinc/70/48/52/719704852.db2.gz CSWDIIQYEBCMKC-UHFFFAOYSA-N 1 1 455.990 2.846 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3ccnn3C[C@H](C(=O)NCCOC)C2)n1 ZINC001164696349 719829165 /nfs/dbraw/zinc/82/91/65/719829165.db2.gz IODINPBHAHDYCY-GOSISDBHSA-N 1 1 485.658 2.745 20 0 JFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164703391 719857319 /nfs/dbraw/zinc/85/73/19/719857319.db2.gz PQZMHVBCCSTSHL-NBGIEHNGSA-N 1 1 467.545 2.851 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1 ZINC001164699910 719866187 /nfs/dbraw/zinc/86/61/87/719866187.db2.gz CVJVLBPMSIVYLH-QMHKHESXSA-N 1 1 476.961 2.693 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164697663 719895134 /nfs/dbraw/zinc/89/51/34/719895134.db2.gz MTVBGIBOBMYRJI-UHFFFAOYSA-N 1 1 471.627 2.799 20 0 JFADMO O=C([C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164707528 719914106 /nfs/dbraw/zinc/91/41/06/719914106.db2.gz SRDZWWZNOSPOPX-TZRRMPRUSA-N 1 1 462.594 2.893 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164714636 720056353 /nfs/dbraw/zinc/05/63/53/720056353.db2.gz QONVPZVIIPJFLL-FMRHZRETSA-N 1 1 450.587 2.832 20 0 JFADMO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)[C@H]2CCCO[C@H]12 ZINC001164710726 720062041 /nfs/dbraw/zinc/06/20/41/720062041.db2.gz GFZKCIBPDWVBQH-MVWVFHAYSA-N 1 1 460.619 2.653 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164718665 720113561 /nfs/dbraw/zinc/11/35/61/720113561.db2.gz ULAACADJWPEBEI-IBGZPJMESA-N 1 1 455.559 2.564 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812545 720129278 /nfs/dbraw/zinc/12/92/78/720129278.db2.gz PHVJDLONOMEZJJ-HRAATJIYSA-N 1 1 456.418 2.805 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820343 720170348 /nfs/dbraw/zinc/17/03/48/720170348.db2.gz ZZEFLJQAIIDXDN-YIXXDRMTSA-N 1 1 462.642 2.988 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164815571 720173731 /nfs/dbraw/zinc/17/37/31/720173731.db2.gz IIHMWHLWWNVFMC-WMZHIEFXSA-N 1 1 450.649 2.733 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164813558 720227248 /nfs/dbraw/zinc/22/72/48/720227248.db2.gz PEGWODVBDKXGES-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C2)C1 ZINC001164718638 720251287 /nfs/dbraw/zinc/25/12/87/720251287.db2.gz GFXISPJTGFFORK-XMMPIXPASA-N 1 1 489.979 2.791 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)Nc4ccc(Cl)nc4)ccc3F)C2)C1 ZINC001164718638 720251299 /nfs/dbraw/zinc/25/12/99/720251299.db2.gz GFXISPJTGFFORK-XMMPIXPASA-N 1 1 489.979 2.791 20 0 JFADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C2)C1 ZINC001164720685 720287525 /nfs/dbraw/zinc/28/75/25/720287525.db2.gz CFBIMQIYUHDHMV-VWLOTQADSA-N 1 1 486.686 2.569 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C2)C1 ZINC001164721947 720300915 /nfs/dbraw/zinc/30/09/15/720300915.db2.gz NJKQRRQUOPGINV-MHZLTWQESA-N 1 1 478.641 2.799 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C2)C1 ZINC001164721947 720300924 /nfs/dbraw/zinc/30/09/24/720300924.db2.gz NJKQRRQUOPGINV-MHZLTWQESA-N 1 1 478.641 2.799 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724331 720362493 /nfs/dbraw/zinc/36/24/93/720362493.db2.gz JROPQNDERSRKPI-FGZHOGPDSA-N 1 1 460.563 2.917 20 0 JFADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164823609 720413931 /nfs/dbraw/zinc/41/39/31/720413931.db2.gz HZHISXBAIHLJEJ-UHFFFAOYSA-N 1 1 468.631 2.884 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC001164733315 720521125 /nfs/dbraw/zinc/52/11/25/720521125.db2.gz IXJXYGKSQXKVDC-GOSISDBHSA-N 1 1 470.599 2.676 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164836344 720563832 /nfs/dbraw/zinc/56/38/32/720563832.db2.gz JPMXXGMUZZSMBD-RLFYNMQTSA-N 1 1 457.966 2.972 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164837308 720568326 /nfs/dbraw/zinc/56/83/26/720568326.db2.gz LPSDLIHAQCRGJY-YTFSRNRJSA-N 1 1 481.645 2.830 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164837772 720606415 /nfs/dbraw/zinc/60/64/15/720606415.db2.gz JIDXZKQPWMKOHN-KCZVDYSFSA-N 1 1 453.591 2.566 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)C1 ZINC001164838785 720607655 /nfs/dbraw/zinc/60/76/55/720607655.db2.gz LWDPDHZLBBSPSR-SSGKUCQKSA-N 1 1 481.645 2.830 20 0 JFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745080 720647491 /nfs/dbraw/zinc/64/74/91/720647491.db2.gz UIEONOFOVKDLGE-PMACEKPBSA-N 1 1 464.957 2.797 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164845427 720679865 /nfs/dbraw/zinc/67/98/65/720679865.db2.gz ZOCNYFFWIBCLHM-NRFANRHFSA-N 1 1 464.614 2.541 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743878 720688428 /nfs/dbraw/zinc/68/84/28/720688428.db2.gz YNUUADSMEHUSIY-GJZGRUSLSA-N 1 1 454.918 2.592 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740963 720753754 /nfs/dbraw/zinc/75/37/54/720753754.db2.gz LUCIAYRTFKMPAJ-HOTGVXAUSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740963 720753765 /nfs/dbraw/zinc/75/37/65/720753765.db2.gz LUCIAYRTFKMPAJ-HOTGVXAUSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745917 720774254 /nfs/dbraw/zinc/77/42/54/720774254.db2.gz WNIDOEYIXMFLJP-HUUCEWRRSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745917 720774264 /nfs/dbraw/zinc/77/42/64/720774264.db2.gz WNIDOEYIXMFLJP-HUUCEWRRSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745916 720776011 /nfs/dbraw/zinc/77/60/11/720776011.db2.gz WNIDOEYIXMFLJP-GJZGRUSLSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745916 720776019 /nfs/dbraw/zinc/77/60/19/720776019.db2.gz WNIDOEYIXMFLJP-GJZGRUSLSA-N 1 1 459.888 2.869 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164743373 720807211 /nfs/dbraw/zinc/80/72/11/720807211.db2.gz FRRZPTHFTRJHEQ-CABCVRRESA-N 1 1 450.374 2.906 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164743373 720807212 /nfs/dbraw/zinc/80/72/12/720807212.db2.gz FRRZPTHFTRJHEQ-CABCVRRESA-N 1 1 450.374 2.906 20 0 JFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748200 720807443 /nfs/dbraw/zinc/80/74/43/720807443.db2.gz QAPDVADEJINJKW-NWDGAFQWSA-N 1 1 453.906 2.503 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164743375 720807463 /nfs/dbraw/zinc/80/74/63/720807463.db2.gz FRRZPTHFTRJHEQ-GJZGRUSLSA-N 1 1 450.374 2.906 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164743375 720807464 /nfs/dbraw/zinc/80/74/64/720807464.db2.gz FRRZPTHFTRJHEQ-GJZGRUSLSA-N 1 1 450.374 2.906 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164741627 720829519 /nfs/dbraw/zinc/82/95/19/720829519.db2.gz NZSLCEOEXDXXHF-WOIUINJBSA-N 1 1 463.586 2.926 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740595 720835269 /nfs/dbraw/zinc/83/52/69/720835269.db2.gz DAONOHLJMYETNM-QNWVGRARSA-N 1 1 487.587 2.985 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740593 720835503 /nfs/dbraw/zinc/83/55/03/720835503.db2.gz DAONOHLJMYETNM-MQSCRBSSSA-N 1 1 487.587 2.985 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(Cl)cc-2n1 ZINC001164744735 720839462 /nfs/dbraw/zinc/83/94/62/720839462.db2.gz LNGUDOORFIBQEM-RZQQEMMASA-N 1 1 469.977 2.974 20 0 JFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164742438 720842416 /nfs/dbraw/zinc/84/24/16/720842416.db2.gz GLRBXIGKAAPGBV-JFIYKMOQSA-N 1 1 460.966 2.501 20 0 JFADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747545 720847396 /nfs/dbraw/zinc/84/73/96/720847396.db2.gz RFDJSXZITCLODV-YESZJQIVSA-N 1 1 453.925 2.568 20 0 JFADMO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743567 720849462 /nfs/dbraw/zinc/84/94/62/720849462.db2.gz JFRLZQYMNBMLSS-GVDBMIGSSA-N 1 1 453.925 2.568 20 0 JFADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164752571 720853301 /nfs/dbraw/zinc/85/33/01/720853301.db2.gz SVWYJQHLQCWTKV-YZUZCNPQSA-N 1 1 456.598 2.998 20 0 JFADMO NC(=S)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc21 ZINC001164747621 720860907 /nfs/dbraw/zinc/86/09/07/720860907.db2.gz ILAZZOVJTFWGFT-GPMSIDNRSA-N 1 1 453.641 2.901 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750048 720869591 /nfs/dbraw/zinc/86/95/91/720869591.db2.gz INQTVEAZCNLTFB-CPJSRVTESA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750048 720869595 /nfs/dbraw/zinc/86/95/95/720869595.db2.gz INQTVEAZCNLTFB-CPJSRVTESA-N 1 1 469.033 2.926 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@@H]2C1 ZINC001164863693 720873485 /nfs/dbraw/zinc/87/34/85/720873485.db2.gz UACLURYRPSNAGS-IAGOWNOFSA-N 1 1 453.921 2.910 20 0 JFADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C(=O)OC ZINC001164755281 720875167 /nfs/dbraw/zinc/87/51/67/720875167.db2.gz VRTIJUYBVAICDA-JIPXPUAJSA-N 1 1 494.592 2.805 20 0 JFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754576 720876308 /nfs/dbraw/zinc/87/63/08/720876308.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 1 1 476.581 2.846 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752843 720886034 /nfs/dbraw/zinc/88/60/34/720886034.db2.gz GBVAJPDDMMDGEF-QFQXNSOFSA-N 1 1 481.597 2.812 20 0 JFADMO CS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164752356 720905996 /nfs/dbraw/zinc/90/59/96/720905996.db2.gz NYHWAQQGDJQLJM-QPPBQGQZSA-N 1 1 456.612 2.635 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750691 720913250 /nfs/dbraw/zinc/91/32/50/720913250.db2.gz JZULFLFZTGUYLM-GJZUVCINSA-N 1 1 497.665 2.672 20 0 JFADMO COCCOc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164750739 720914517 /nfs/dbraw/zinc/91/45/17/720914517.db2.gz KDQQKDSWRDHKSF-RDGATRHJSA-N 1 1 453.587 2.652 20 0 JFADMO O=c1ccccn1-c1nccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755168 720915946 /nfs/dbraw/zinc/91/59/46/720915946.db2.gz ZGPYAEYFJWGILL-YIXXDRMTSA-N 1 1 472.593 2.778 20 0 JFADMO CCOC(=O)c1nccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752267 720919245 /nfs/dbraw/zinc/91/92/45/720919245.db2.gz NUNGALZRGFDMLJ-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO CNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754677 720936983 /nfs/dbraw/zinc/93/69/83/720936983.db2.gz XGNHKMWOQACPJX-CYFREDJKSA-N 1 1 471.005 2.640 20 0 JFADMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164763016 721025222 /nfs/dbraw/zinc/02/52/22/721025222.db2.gz XAWLRGDKHWVFNC-SFHVURJKSA-N 1 1 493.641 2.931 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(Cl)n1 ZINC001164863889 721033616 /nfs/dbraw/zinc/03/36/16/721033616.db2.gz VLULEBJBKUWZCJ-UHFFFAOYSA-N 1 1 450.877 2.961 20 0 JFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864039 721034671 /nfs/dbraw/zinc/03/46/71/721034671.db2.gz WPLYMCAVJLPRDE-UHFFFAOYSA-N 1 1 450.906 2.875 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868361 721045238 /nfs/dbraw/zinc/04/52/38/721045238.db2.gz OFPDMLJYYJSVCY-PMACEKPBSA-N 1 1 472.549 2.934 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164868149 721066467 /nfs/dbraw/zinc/06/64/67/721066467.db2.gz NDMQUQUCQVRMRE-HZPDHXFCSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)n1 ZINC001164863555 721083612 /nfs/dbraw/zinc/08/36/12/721083612.db2.gz CVGIEMVRMWJQPC-HOTGVXAUSA-N 1 1 452.889 2.941 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164773221 721090098 /nfs/dbraw/zinc/09/00/98/721090098.db2.gz XHCKNGBVVHTIHY-SJORKVTESA-N 1 1 451.953 2.967 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865384 721106611 /nfs/dbraw/zinc/10/66/11/721106611.db2.gz KRBVUCUKZKCINK-RTWAWAEBSA-N 1 1 459.529 2.888 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771007 721132999 /nfs/dbraw/zinc/13/29/99/721132999.db2.gz RZRONSRMPXVCFV-LSDHHAIUSA-N 1 1 450.996 2.720 20 0 JFADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764896 721134248 /nfs/dbraw/zinc/13/42/48/721134248.db2.gz ILPXPPMRRVBFMX-CTNGQTDRSA-N 1 1 476.629 2.940 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164774339 721173541 /nfs/dbraw/zinc/17/35/41/721173541.db2.gz YJKJTPTYHZKYMH-ROUUACIJSA-N 1 1 454.575 2.545 20 0 JFADMO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164871469 721200807 /nfs/dbraw/zinc/20/08/07/721200807.db2.gz ZSCRYANOMVANQQ-UHFFFAOYSA-N 1 1 453.978 2.816 20 0 JFADMO CNC(=O)[C@@]12CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164866770 721203643 /nfs/dbraw/zinc/20/36/43/721203643.db2.gz CRPAAWJEYAEAMZ-YWEHKCAJSA-N 1 1 483.620 2.651 20 0 JFADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164870898 721211444 /nfs/dbraw/zinc/21/14/44/721211444.db2.gz XIBVAOSXMJUZOT-LXFBAYGMSA-N 1 1 484.604 2.988 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)Nc5cc(F)ccc5F)cn4)C[C@@H]3C2)cn1 ZINC001164770096 721216845 /nfs/dbraw/zinc/21/68/45/721216845.db2.gz NAGPVYFMMNLUGV-MSOLQXFVSA-N 1 1 488.564 2.852 20 0 JFADMO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164765537 721227512 /nfs/dbraw/zinc/22/75/12/721227512.db2.gz RWJPBVOTOMPXEZ-OALUTQOASA-N 1 1 464.570 2.861 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164761083 721227835 /nfs/dbraw/zinc/22/78/35/721227835.db2.gz HHSYXGNESNCZPK-DHIUTWEWSA-N 1 1 459.598 2.672 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c(Cl)cccc43)CC2)C1 ZINC001164869322 721271643 /nfs/dbraw/zinc/27/16/43/721271643.db2.gz KBTIKLYARQAJOB-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC4)COCC[N@@H+](CC(=O)N(C)C)C5)c23)C1 ZINC001164868994 721272693 /nfs/dbraw/zinc/27/26/93/721272693.db2.gz IPCPGDACGGSTEZ-QGZVFWFLSA-N 1 1 457.644 2.823 20 0 JFADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)COCC[N@@H+](CC(=O)N(C)C)C5)c23)C1 ZINC001164868993 721272878 /nfs/dbraw/zinc/27/28/78/721272878.db2.gz IPCPGDACGGSTEZ-KRWDZBQOSA-N 1 1 457.644 2.823 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)C1 ZINC001164872902 721283716 /nfs/dbraw/zinc/28/37/16/721283716.db2.gz HWXUNYLCJDYYAS-UHFFFAOYSA-N 1 1 460.582 2.699 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC2)C1 ZINC001164876633 721288782 /nfs/dbraw/zinc/28/87/82/721288782.db2.gz KMZULVFZKPGBQT-UHFFFAOYSA-N 1 1 461.969 2.943 20 0 JFADMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880655 721321468 /nfs/dbraw/zinc/32/14/68/721321468.db2.gz YVHFXAIQXOEBAV-BBVXACFBSA-N 1 1 484.604 2.844 20 0 JFADMO CN(C)C1=[NH+]OC2(C1)CCN([C@@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164876907 721326971 /nfs/dbraw/zinc/32/69/71/721326971.db2.gz SEDNABVNEROAML-NRFANRHFSA-N 1 1 465.961 2.627 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4scnc4c(N4CCOCC4)n3)C2)C1 ZINC001164779074 721343384 /nfs/dbraw/zinc/34/33/84/721343384.db2.gz QHWZLWKOPQRGEX-DEOSSOPVSA-N 1 1 499.641 2.647 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4scnc4c(N4CCOCC4)n3)C2)C1 ZINC001164779074 721343389 /nfs/dbraw/zinc/34/33/89/721343389.db2.gz QHWZLWKOPQRGEX-DEOSSOPVSA-N 1 1 499.641 2.647 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776810 721345204 /nfs/dbraw/zinc/34/52/04/721345204.db2.gz CXAYHAKWKKRUAZ-QFIPXVFZSA-N 1 1 463.966 2.569 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776810 721345206 /nfs/dbraw/zinc/34/52/06/721345206.db2.gz CXAYHAKWKKRUAZ-QFIPXVFZSA-N 1 1 463.966 2.569 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3S(=O)(=O)N3CCCC3)C2)C1 ZINC001164785257 721359150 /nfs/dbraw/zinc/35/91/50/721359150.db2.gz STLYHGDQJUXQSY-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3S(=O)(=O)N3CCCC3)C2)C1 ZINC001164785257 721359155 /nfs/dbraw/zinc/35/91/55/721359155.db2.gz STLYHGDQJUXQSY-XMMPIXPASA-N 1 1 489.642 2.590 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164787103 721361532 /nfs/dbraw/zinc/36/15/32/721361532.db2.gz ZDYAXSKIQLVOOP-RUZDIDTESA-N 1 1 482.585 2.869 20 0 JFADMO O=C1CO[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881557 721363617 /nfs/dbraw/zinc/36/36/17/721363617.db2.gz DTJJYWJLMOBJCV-ZEQRLZLVSA-N 1 1 459.525 2.795 20 0 JFADMO O=C1CO[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2N1c1cccc(F)c1 ZINC001164881557 721363623 /nfs/dbraw/zinc/36/36/23/721363623.db2.gz DTJJYWJLMOBJCV-ZEQRLZLVSA-N 1 1 459.525 2.795 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164780304 721366649 /nfs/dbraw/zinc/36/66/49/721366649.db2.gz FVRZUKOAZCCGLC-VWLOTQADSA-N 1 1 484.601 2.715 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164780304 721366659 /nfs/dbraw/zinc/36/66/59/721366659.db2.gz FVRZUKOAZCCGLC-VWLOTQADSA-N 1 1 484.601 2.715 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164781954 721379779 /nfs/dbraw/zinc/37/97/79/721379779.db2.gz KZNVANTYJNKTIU-RCXJIHSJSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164781954 721379783 /nfs/dbraw/zinc/37/97/83/721379783.db2.gz KZNVANTYJNKTIU-RCXJIHSJSA-N 1 1 484.604 2.844 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164885637 721384149 /nfs/dbraw/zinc/38/41/49/721384149.db2.gz CWBQDOQEQYNVQZ-IIBYNOLFSA-N 1 1 487.979 2.617 20 0 JFADMO CCOC(=O)c1nc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885618 721386877 /nfs/dbraw/zinc/38/68/77/721386877.db2.gz CVMMZQOINJCSKZ-CLOONOSVSA-N 1 1 453.587 2.572 20 0 JFADMO COCCOc1cc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1OCCOC ZINC001164789948 721397805 /nfs/dbraw/zinc/39/78/05/721397805.db2.gz VMCCYPPFBPDMOQ-ROUUACIJSA-N 1 1 485.610 2.705 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164781756 721410115 /nfs/dbraw/zinc/41/01/15/721410115.db2.gz DTLAVBIELVAMCV-GPMSIDNRSA-N 1 1 453.616 2.981 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891449 721410673 /nfs/dbraw/zinc/41/06/73/721410673.db2.gz WERBSVVHGLHJLO-CPJSRVTESA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2)OCC ZINC001164883535 721412248 /nfs/dbraw/zinc/41/22/48/721412248.db2.gz APHAXFNLXJUZPZ-CYFREDJKSA-N 1 1 482.069 2.837 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883469 721419068 /nfs/dbraw/zinc/41/90/68/721419068.db2.gz AARMKZBODPCDMS-UTKZUKDTSA-N 1 1 472.964 2.832 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164784735 721419554 /nfs/dbraw/zinc/41/95/54/721419554.db2.gz LFMMYGOWKJOMKU-HZPDHXFCSA-N 1 1 453.524 2.505 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)O2)CC1 ZINC001164891941 721421367 /nfs/dbraw/zinc/42/13/67/721421367.db2.gz WTNCGVADMKWAOD-IERDGZPVSA-N 1 1 466.964 2.989 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc21 ZINC001164782766 721423693 /nfs/dbraw/zinc/42/36/93/721423693.db2.gz HXAYIWASIVEGSA-ROUUACIJSA-N 1 1 466.592 2.693 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888890 721425177 /nfs/dbraw/zinc/42/51/77/721425177.db2.gz BDDBDWBFTKTRHH-AMGIVPHBSA-N 1 1 480.657 2.781 20 0 JFADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897352 721427023 /nfs/dbraw/zinc/42/70/23/721427023.db2.gz SZDXFTBMEUYNMV-WWNOJBMISA-N 1 1 453.587 2.515 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164891510 721429305 /nfs/dbraw/zinc/42/93/05/721429305.db2.gz GUIXBPPWCBZYDA-UWJYYQICSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)C[C@H](c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1)C1CC1 ZINC001164891544 721430714 /nfs/dbraw/zinc/43/07/14/721430714.db2.gz GWJDZSIVYKSXTM-FXSPECFOSA-N 1 1 456.631 2.904 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C3)O2)CC1 ZINC001164897042 721443954 /nfs/dbraw/zinc/44/39/54/721443954.db2.gz SJDSIAXHGQSVEM-LBNVMWSVSA-N 1 1 492.668 2.746 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C3)O2)CC1 ZINC001164897056 721444039 /nfs/dbraw/zinc/44/40/39/721444039.db2.gz SJDSIAXHGQSVEM-LSYYVWMOSA-N 1 1 492.668 2.746 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164785958 721451347 /nfs/dbraw/zinc/45/13/47/721451347.db2.gz KIHRMHUEBVASMU-DEOSSOPVSA-N 1 1 458.647 2.648 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C(N)=O)CC2 ZINC001164787673 721451515 /nfs/dbraw/zinc/45/15/15/721451515.db2.gz PHXCAPOTEXBCOD-SFHVURJKSA-N 1 1 451.011 2.876 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164783354 721455223 /nfs/dbraw/zinc/45/52/23/721455223.db2.gz BPUSTPBZFBBGTE-MRXNPFEDSA-N 1 1 454.974 2.707 20 0 JFADMO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164785851 721458258 /nfs/dbraw/zinc/45/82/58/721458258.db2.gz OAOGPGSNYWLPOS-LJQANCHMSA-N 1 1 481.037 2.970 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C(=O)OC)CC2 ZINC001164786614 721460418 /nfs/dbraw/zinc/46/04/18/721460418.db2.gz OQLKTLYLTQQHIU-QGZVFWFLSA-N 1 1 452.983 2.651 20 0 JFADMO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164783606 721462563 /nfs/dbraw/zinc/46/25/63/721462563.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 1 1 457.663 2.567 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164783606 721462570 /nfs/dbraw/zinc/46/25/70/721462570.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 1 1 457.663 2.567 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164787894 721463968 /nfs/dbraw/zinc/46/39/68/721463968.db2.gz STNRLRHADASDCG-OAQYLSRUSA-N 1 1 463.619 2.599 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164784403 721464704 /nfs/dbraw/zinc/46/47/04/721464704.db2.gz HUHKTTBOHVFOEH-GOSISDBHSA-N 1 1 466.026 2.693 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164805568 721535763 /nfs/dbraw/zinc/53/57/63/721535763.db2.gz MILOQYZBPOCQSK-NJDAHSKKSA-N 1 1 466.611 2.791 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccsc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164805568 721535765 /nfs/dbraw/zinc/53/57/65/721535765.db2.gz MILOQYZBPOCQSK-NJDAHSKKSA-N 1 1 466.611 2.791 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164807223 721537558 /nfs/dbraw/zinc/53/75/58/721537558.db2.gz QPSMPGYWYXVJHK-UEXGIBASSA-N 1 1 494.974 2.775 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164807223 721537560 /nfs/dbraw/zinc/53/75/60/721537560.db2.gz QPSMPGYWYXVJHK-UEXGIBASSA-N 1 1 494.974 2.775 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164908790 721543476 /nfs/dbraw/zinc/54/34/76/721543476.db2.gz QNSURQQLNBTYPX-UNMCSNQZSA-N 1 1 469.561 2.737 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCOCC2)[C@H]2CCCO[C@H]12 ZINC001164811167 721552672 /nfs/dbraw/zinc/55/26/72/721552672.db2.gz ZAZKDNPCNCJHDN-VXNXHJTFSA-N 1 1 460.582 2.730 20 0 JFADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164907596 721553664 /nfs/dbraw/zinc/55/36/64/721553664.db2.gz OURHHYRQGJPOLV-TZIWHRDSSA-N 1 1 460.575 2.737 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)C1 ZINC001164907194 721554947 /nfs/dbraw/zinc/55/49/47/721554947.db2.gz MOPGIFZBZZAAKA-KAGYGMCKSA-N 1 1 469.561 2.737 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)C1 ZINC001164907198 721555297 /nfs/dbraw/zinc/55/52/97/721555297.db2.gz MOPGIFZBZZAAKA-UZKOGDIHSA-N 1 1 469.561 2.737 20 0 JFADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906871 721555857 /nfs/dbraw/zinc/55/58/57/721555857.db2.gz LGNGVNVQOKYDJB-QUCCMNQESA-N 1 1 460.937 2.688 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(=O)OCC ZINC001164907007 721567729 /nfs/dbraw/zinc/56/77/29/721567729.db2.gz LTZCWGWFYGTXCP-PKOBYXMFSA-N 1 1 457.502 2.916 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C1=O ZINC001164904061 721576174 /nfs/dbraw/zinc/57/61/74/721576174.db2.gz UJMDAAUXIRNXBO-MSOLQXFVSA-N 1 1 451.596 2.961 20 0 JFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)C2)cc1 ZINC001164902813 721579690 /nfs/dbraw/zinc/57/96/90/721579690.db2.gz IFHRBFIGAZUGJX-SANMLTNESA-N 1 1 457.582 2.701 20 0 JFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)C2)cc1 ZINC001164902813 721579695 /nfs/dbraw/zinc/57/96/95/721579695.db2.gz IFHRBFIGAZUGJX-SANMLTNESA-N 1 1 457.582 2.701 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808902 721580665 /nfs/dbraw/zinc/58/06/65/721580665.db2.gz RNMDLZLMMUGSAH-QNWVGRARSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164808902 721580666 /nfs/dbraw/zinc/58/06/66/721580666.db2.gz RNMDLZLMMUGSAH-QNWVGRARSA-N 1 1 473.643 2.812 20 0 JFADMO O=C(COC[C@@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164904472 721581869 /nfs/dbraw/zinc/58/18/69/721581869.db2.gz QJJIMFJMHICCMO-LJQANCHMSA-N 1 1 473.021 2.803 20 0 JFADMO O=C(COC[C@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1)N1CCCC1 ZINC001164904470 721582037 /nfs/dbraw/zinc/58/20/37/721582037.db2.gz QJJIMFJMHICCMO-IBGZPJMESA-N 1 1 473.021 2.803 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@@H]2CCCO[C@H]21 ZINC001164810759 721584332 /nfs/dbraw/zinc/58/43/32/721584332.db2.gz WCIBJHRMORFPFJ-MQSCRBSSSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@@H]2CCCO[C@H]21 ZINC001164810759 721584335 /nfs/dbraw/zinc/58/43/35/721584335.db2.gz WCIBJHRMORFPFJ-MQSCRBSSSA-N 1 1 471.627 2.519 20 0 JFADMO O=C([C@@H]1C[C@H]2[C@@H](CCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)O1)N1CCOCC1 ZINC001164796936 721596284 /nfs/dbraw/zinc/59/62/84/721596284.db2.gz FAIFFTIYBXHKHP-ZCNNSNEGSA-N 1 1 497.665 2.761 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)c2c1C ZINC001164801552 721598814 /nfs/dbraw/zinc/59/88/14/721598814.db2.gz OYZSWYYPMNQQGW-YZGWKJHDSA-N 1 1 493.637 2.718 20 0 JFADMO CN1c2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2N2CCC[C@H]2C1=O ZINC001164905651 721707163 /nfs/dbraw/zinc/70/71/63/721707163.db2.gz IHEATPMMGXTNTM-FDDCHVKYSA-N 1 1 469.540 2.555 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908138 721715715 /nfs/dbraw/zinc/71/57/15/721715715.db2.gz VYRYHCINGVXTRI-XMMPIXPASA-N 1 1 486.567 2.999 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908151 721721587 /nfs/dbraw/zinc/72/15/87/721721587.db2.gz WBNJCBVDWATTPG-GSTQUKTASA-N 1 1 479.553 2.523 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908151 721721595 /nfs/dbraw/zinc/72/15/95/721721595.db2.gz WBNJCBVDWATTPG-GSTQUKTASA-N 1 1 479.553 2.523 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913068 721725909 /nfs/dbraw/zinc/72/59/09/721725909.db2.gz RYJJJJJJJQYVFK-NRFANRHFSA-N 1 1 463.554 2.655 20 0 JFADMO C[NH+]1CCN(c2nccc(N3C[C@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164913455 721742451 /nfs/dbraw/zinc/74/24/51/721742451.db2.gz VVNIQOPRFZSPPJ-YIXXDRMTSA-N 1 1 469.593 2.651 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cnn(C)c4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001165013914 721757697 /nfs/dbraw/zinc/75/76/97/721757697.db2.gz UWGFKBIQIGAGJE-IPJJNNNSSA-N 1 1 495.653 2.804 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910489 721760174 /nfs/dbraw/zinc/76/01/74/721760174.db2.gz GPZRVODFCJBMRS-XIFFEERXSA-N 1 1 469.567 2.573 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910489 721760178 /nfs/dbraw/zinc/76/01/78/721760178.db2.gz GPZRVODFCJBMRS-XIFFEERXSA-N 1 1 469.567 2.573 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015546 721766056 /nfs/dbraw/zinc/76/60/56/721766056.db2.gz QWDTZIURJVLZMG-OAQYLSRUSA-N 1 1 462.602 2.551 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1C ZINC001164913305 721768043 /nfs/dbraw/zinc/76/80/43/721768043.db2.gz WADAUPSQTSVJRY-XMMPIXPASA-N 1 1 483.594 2.679 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1C ZINC001164913305 721768045 /nfs/dbraw/zinc/76/80/45/721768045.db2.gz WADAUPSQTSVJRY-XMMPIXPASA-N 1 1 483.594 2.679 20 0 JFADMO Clc1cc(-c2ccncc2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910149 721772530 /nfs/dbraw/zinc/77/25/30/721772530.db2.gz ABSJBJHUFQEGKC-HSZRJFAPSA-N 1 1 452.946 2.695 20 0 JFADMO Clc1cc(-c2ccncc2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910149 721772534 /nfs/dbraw/zinc/77/25/34/721772534.db2.gz ABSJBJHUFQEGKC-HSZRJFAPSA-N 1 1 452.946 2.695 20 0 JFADMO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165016196 721775451 /nfs/dbraw/zinc/77/54/51/721775451.db2.gz OLIXBMXSEBXTGV-LBNVMWSVSA-N 1 1 476.621 2.874 20 0 JFADMO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165018388 721786930 /nfs/dbraw/zinc/78/69/30/721786930.db2.gz IIJJCLLTLGOFCJ-HHHXNRCGSA-N 1 1 464.610 2.730 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916065 721787641 /nfs/dbraw/zinc/78/76/41/721787641.db2.gz ORDXJQRVLIGSSU-SANMLTNESA-N 1 1 489.555 2.517 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916065 721787643 /nfs/dbraw/zinc/78/76/43/721787643.db2.gz ORDXJQRVLIGSSU-SANMLTNESA-N 1 1 489.555 2.517 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@H]32)cc1 ZINC001165026566 721795798 /nfs/dbraw/zinc/79/57/98/721795798.db2.gz ZTCTUJGCILGGCY-RTWAWAEBSA-N 1 1 456.974 2.956 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C(=O)N(CCOC)CCO[C@H]3C2)n1 ZINC001164919865 721844133 /nfs/dbraw/zinc/84/41/33/721844133.db2.gz DOTMLJCQSVYCSE-OALUTQOASA-N 1 1 475.659 2.850 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165036341 721915795 /nfs/dbraw/zinc/91/57/95/721915795.db2.gz BVIYOTDFONTRTM-OKZBNKHCSA-N 1 1 464.561 2.527 20 0 JFADMO COC(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1C(=O)OC ZINC001164941004 721921790 /nfs/dbraw/zinc/92/17/90/721921790.db2.gz YONVWXPETWALLL-UHFFFAOYSA-N 1 1 453.539 2.835 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946024 721977079 /nfs/dbraw/zinc/97/70/79/721977079.db2.gz INZTXHOJYRDZHB-UHFFFAOYSA-N 1 1 486.620 2.987 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946024 721977081 /nfs/dbraw/zinc/97/70/81/721977081.db2.gz INZTXHOJYRDZHB-UHFFFAOYSA-N 1 1 486.620 2.987 20 0 JFADMO O=C(c1cccnc1N1CC[NH+](CCc2ccccn2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC001165055386 722014870 /nfs/dbraw/zinc/01/48/70/722014870.db2.gz HNHKPLSMXRHKHP-UHFFFAOYSA-N 1 1 470.621 2.799 20 0 JFADMO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](CCc4ccccn4)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165056621 722016231 /nfs/dbraw/zinc/01/62/31/722016231.db2.gz YZNDAJXWXDJUDV-UXHICEINSA-N 1 1 485.583 2.986 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164960308 722047847 /nfs/dbraw/zinc/04/78/47/722047847.db2.gz UWTJFXZNWFOYAW-DXIQSLLYSA-N 1 1 495.624 2.824 20 0 JFADMO O=C(c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)c1)N1CCOCC1 ZINC001164961522 722060373 /nfs/dbraw/zinc/06/03/73/722060373.db2.gz LDZGSJMEWUUAQS-UHFFFAOYSA-N 1 1 486.016 2.721 20 0 JFADMO CC[C@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164967779 722074402 /nfs/dbraw/zinc/07/44/02/722074402.db2.gz WBOHEHSWVBXPRH-YRXWBPOGSA-N 1 1 476.572 2.525 20 0 JFADMO C(c1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C2)O4)n1)CCCC3)N1CCOCC1 ZINC001164966649 722075243 /nfs/dbraw/zinc/07/52/43/722075243.db2.gz FHHMGPCMMSYLEJ-KDURUIRLSA-N 1 1 469.655 2.702 20 0 JFADMO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164968958 722080322 /nfs/dbraw/zinc/08/03/22/722080322.db2.gz GSHBTLYPSYDMNH-FXSPECFOSA-N 1 1 471.609 2.747 20 0 JFADMO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164968958 722080323 /nfs/dbraw/zinc/08/03/23/722080323.db2.gz GSHBTLYPSYDMNH-FXSPECFOSA-N 1 1 471.609 2.747 20 0 JFADMO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164982376 722092699 /nfs/dbraw/zinc/09/26/99/722092699.db2.gz QAFNJXHZCMRILJ-VDKIKQQVSA-N 1 1 472.593 2.540 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982855 722105629 /nfs/dbraw/zinc/10/56/29/722105629.db2.gz PNCOLPXCWSSEOS-RTBURBONSA-N 1 1 494.974 2.634 20 0 JFADMO c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982504 722115208 /nfs/dbraw/zinc/11/52/08/722115208.db2.gz WUFFTLFVMBLEJR-QPPBQGQZSA-N 1 1 460.582 2.589 20 0 JFADMO c1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982508 722115870 /nfs/dbraw/zinc/11/58/70/722115870.db2.gz WUFFTLFVMBLEJR-XUZZJYLKSA-N 1 1 460.582 2.589 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC(C)=O ZINC001164981147 722132504 /nfs/dbraw/zinc/13/25/04/722132504.db2.gz ORFVQPLJKBPFJL-CJFMBICVSA-N 1 1 491.548 2.603 20 0 JFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983843 722136548 /nfs/dbraw/zinc/13/65/48/722136548.db2.gz VRURBASIQXQLLW-CRAIPNDOSA-N 1 1 451.905 2.501 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974201 722143837 /nfs/dbraw/zinc/14/38/37/722143837.db2.gz CMNUEPWHSCHMKL-JTHBVZDNSA-N 1 1 473.643 2.528 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ncn3)CC2)cc1 ZINC001164985409 722148979 /nfs/dbraw/zinc/14/89/79/722148979.db2.gz ZJBUFTOCLZIJCC-AOYPEHQESA-N 1 1 485.636 2.926 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971100 722153634 /nfs/dbraw/zinc/15/36/34/722153634.db2.gz AQSBOCKIYATXQA-IAGOWNOFSA-N 1 1 452.937 2.863 20 0 JFADMO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001164987872 722172904 /nfs/dbraw/zinc/17/29/04/722172904.db2.gz PFVBBLSXYMVMKO-DEOSSOPVSA-N 1 1 483.576 2.575 20 0 JFADMO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001164987872 722172911 /nfs/dbraw/zinc/17/29/11/722172911.db2.gz PFVBBLSXYMVMKO-DEOSSOPVSA-N 1 1 483.576 2.575 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)c2)CC1 ZINC001164992012 722187314 /nfs/dbraw/zinc/18/73/14/722187314.db2.gz RHWDRYYGUZJIRX-UKILVPOCSA-N 1 1 470.639 2.737 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ccn4Cc2ccc(F)cc2)CC3)CC1 ZINC001164997849 722234334 /nfs/dbraw/zinc/23/43/34/722234334.db2.gz XNMIRQXVMUPSDI-UHFFFAOYSA-N 1 1 472.572 2.766 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC3)CC1 ZINC001165001498 722236574 /nfs/dbraw/zinc/23/65/74/722236574.db2.gz HSOXJCSJPDJEFF-UHFFFAOYSA-N 1 1 458.344 2.561 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cncc(OCc4cccc(Cl)c4)n2)CC3)CC1 ZINC001165001955 722239625 /nfs/dbraw/zinc/23/96/25/722239625.db2.gz PKHICDCBVSVLLH-UHFFFAOYSA-N 1 1 465.989 2.856 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)CC3)CC1 ZINC001165003133 722240301 /nfs/dbraw/zinc/24/03/01/722240301.db2.gz IINYMHGXVDFIDY-UHFFFAOYSA-N 1 1 457.793 2.845 20 0 JFADMO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)CCC2 ZINC001165003374 722257098 /nfs/dbraw/zinc/25/70/98/722257098.db2.gz ANPULUDZMIRPRE-UHFFFAOYSA-N 1 1 488.589 2.707 20 0 JFADMO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000585481799 1059482256 /nfs/dbraw/zinc/48/22/56/1059482256.db2.gz DCALACWUULXXGK-UHFFFAOYSA-N 1 1 496.431 2.749 20 0 JFADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109362 1059520332 /nfs/dbraw/zinc/52/03/32/1059520332.db2.gz OPSPPYTWCWSNGR-VXKWHMMOSA-N 1 1 459.616 2.515 20 0 JFADMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001264176316 1059533115 /nfs/dbraw/zinc/53/31/15/1059533115.db2.gz VKJBRTARJJHUJS-OAHLLOKOSA-N 1 1 455.427 2.932 20 0 JFADMO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001264176316 1059533138 /nfs/dbraw/zinc/53/31/38/1059533138.db2.gz VKJBRTARJJHUJS-OAHLLOKOSA-N 1 1 455.427 2.932 20 0 JFADMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001264176315 1059533178 /nfs/dbraw/zinc/53/31/78/1059533178.db2.gz VKJBRTARJJHUJS-HNNXBMFYSA-N 1 1 455.427 2.932 20 0 JFADMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC001264176315 1059533195 /nfs/dbraw/zinc/53/31/95/1059533195.db2.gz VKJBRTARJJHUJS-HNNXBMFYSA-N 1 1 455.427 2.932 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)n2)cc1 ZINC001264512659 1059601173 /nfs/dbraw/zinc/60/11/73/1059601173.db2.gz RMDGTDVQADGLQR-UHFFFAOYSA-N 1 1 454.537 2.893 20 0 JFADMO COC(=O)Nc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC001264644201 1059635911 /nfs/dbraw/zinc/63/59/11/1059635911.db2.gz PSQARPRPFTZHQQ-QFIPXVFZSA-N 1 1 450.539 2.909 20 0 JFADMO CC1(C)c2cc(C(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)ccc2NC1=O ZINC001264708716 1059654382 /nfs/dbraw/zinc/65/43/82/1059654382.db2.gz WPYKGIVVQVQQJY-UHFFFAOYSA-N 1 1 450.539 2.507 20 0 JFADMO CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1(C)C ZINC001264708306 1059654541 /nfs/dbraw/zinc/65/45/41/1059654541.db2.gz OESCPGNPHVWYJN-VWLOTQADSA-N 1 1 459.587 2.722 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3c(NC(=O)OC(C)(C)C)cnn3C)cc2)CC1 ZINC001264847538 1059705484 /nfs/dbraw/zinc/70/54/84/1059705484.db2.gz UXJOYQYSWMZHRV-UHFFFAOYSA-N 1 1 456.547 2.797 20 0 JFADMO C[C@@H](c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1)[NH+]1CCOCC1 ZINC001265035169 1059756325 /nfs/dbraw/zinc/75/63/25/1059756325.db2.gz VQFYIXBANYJQRK-FYSMJZIKSA-N 1 1 454.502 2.625 20 0 JFADMO CN1CCN(c2ccccc2C(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC001265161829 1059785097 /nfs/dbraw/zinc/78/50/97/1059785097.db2.gz CIYJGXPMSJNDSH-UHFFFAOYSA-N 1 1 450.587 2.906 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265246697 1059804708 /nfs/dbraw/zinc/80/47/08/1059804708.db2.gz CXMLDQXJLDDJFZ-GOSISDBHSA-N 1 1 453.568 2.653 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265247168 1059806005 /nfs/dbraw/zinc/80/60/05/1059806005.db2.gz LPEQLLWMIYWCPW-RBBKRZOGSA-N 1 1 455.603 2.719 20 0 JFADMO O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001265257116 1059810060 /nfs/dbraw/zinc/81/00/60/1059810060.db2.gz RRCXOCJOMADSQH-GOSISDBHSA-N 1 1 458.356 2.955 20 0 JFADMO Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001265482142 1059869827 /nfs/dbraw/zinc/86/98/27/1059869827.db2.gz HNRYYCPZTZWZGR-SFHVURJKSA-N 1 1 454.575 2.645 20 0 JFADMO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000615431891 1059900543 /nfs/dbraw/zinc/90/05/43/1059900543.db2.gz OVPNXWLGTOLHMZ-AWEZNQCLSA-N 1 1 452.527 2.637 20 0 JFADMO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001265876642 1059938523 /nfs/dbraw/zinc/93/85/23/1059938523.db2.gz JRWXHJNQQMNELX-QFIPXVFZSA-N 1 1 458.990 2.936 20 0 JFADMO O=C(Cc1cc[nH]c(=O)c1Br)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001265877314 1059939353 /nfs/dbraw/zinc/93/93/53/1059939353.db2.gz YVTWXMBSBKJPFA-UHFFFAOYSA-N 1 1 453.768 2.684 20 0 JFADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC001279860427 1059996628 /nfs/dbraw/zinc/99/66/28/1059996628.db2.gz YDJJQLHEILEAAS-INIZCTEOSA-N 1 1 451.976 2.603 20 0 JFADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC001279860427 1059996647 /nfs/dbraw/zinc/99/66/47/1059996647.db2.gz YDJJQLHEILEAAS-INIZCTEOSA-N 1 1 451.976 2.603 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[N@H+](C)C(C)C)CC1 ZINC001286842146 1061112851 /nfs/dbraw/zinc/11/28/51/1061112851.db2.gz RJSMSPXENGZLET-QFIPXVFZSA-N 1 1 456.591 2.578 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286842599 1061116470 /nfs/dbraw/zinc/11/64/70/1061116470.db2.gz VXTVQJLPFUEIBQ-UHFFFAOYSA-N 1 1 472.609 2.566 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286842599 1061116482 /nfs/dbraw/zinc/11/64/82/1061116482.db2.gz VXTVQJLPFUEIBQ-UHFFFAOYSA-N 1 1 472.609 2.566 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001286842722 1061117833 /nfs/dbraw/zinc/11/78/33/1061117833.db2.gz AEAVPWFXZSXOKQ-UHFFFAOYSA-N 1 1 453.635 2.833 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286847896 1061161281 /nfs/dbraw/zinc/16/12/81/1061161281.db2.gz CJGUPXJBDVHGRU-ZEQRLZLVSA-N 1 1 484.693 2.812 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286847922 1061162020 /nfs/dbraw/zinc/16/20/20/1061162020.db2.gz DNNICVWUDPOMLK-WWPVKYPJSA-N 1 1 454.619 2.607 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001286850080 1061176646 /nfs/dbraw/zinc/17/66/46/1061176646.db2.gz XYMGZQCNKXOJKG-FQEVSTJZSA-N 1 1 453.566 2.849 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001286853833 1061200698 /nfs/dbraw/zinc/20/06/98/1061200698.db2.gz FEDISHGSDGYNON-HSZRJFAPSA-N 1 1 484.645 2.501 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286853916 1061201422 /nfs/dbraw/zinc/20/14/22/1061201422.db2.gz HBHTVSLCYQXAQM-HGIWEUDGSA-N 1 1 460.667 2.984 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc[nH+]c2C)C1 ZINC001286854587 1061203920 /nfs/dbraw/zinc/20/39/20/1061203920.db2.gz NFPJGENJJPBOIS-NJDAHSKKSA-N 1 1 457.623 2.706 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286855013 1061206858 /nfs/dbraw/zinc/20/68/58/1061206858.db2.gz XJZIGLCCBHUPDP-PKOBYXMFSA-N 1 1 458.582 2.784 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286860274 1061227375 /nfs/dbraw/zinc/22/73/75/1061227375.db2.gz NAIXXKXTKHHXJT-JOCHJYFZSA-N 1 1 460.667 2.816 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286860274 1061227398 /nfs/dbraw/zinc/22/73/98/1061227398.db2.gz NAIXXKXTKHHXJT-JOCHJYFZSA-N 1 1 460.667 2.816 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2CC[N@@H+](C)C2CCCC2)o1 ZINC001289583522 1061227851 /nfs/dbraw/zinc/22/78/51/1061227851.db2.gz FMZGZXKPORLXDR-IBGZPJMESA-N 1 1 478.663 2.829 20 0 JFADMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1)C(C)C ZINC001289584293 1061228233 /nfs/dbraw/zinc/22/82/33/1061228233.db2.gz YSPPMKKEOVRQOQ-KQVJYAISSA-N 1 1 450.601 2.546 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)o1 ZINC001289585293 1061229160 /nfs/dbraw/zinc/22/91/60/1061229160.db2.gz LVQDYKCCLWJYMH-UYAOXDASSA-N 1 1 478.663 2.733 20 0 JFADMO CC(=O)N1CCC[C@H](Cn2c(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)nnc2C(C)(C)C)C1 ZINC001286861536 1061232092 /nfs/dbraw/zinc/23/20/92/1061232092.db2.gz NVMCWWKHAGNPQK-NRFANRHFSA-N 1 1 470.666 2.507 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2nnn(C)n2)cc1Br ZINC001289591982 1061233838 /nfs/dbraw/zinc/23/38/38/1061233838.db2.gz IGRNHFJKVWJYMQ-UHFFFAOYSA-N 1 1 474.411 2.508 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCCOC(F)(F)F)o1 ZINC001289593185 1061235042 /nfs/dbraw/zinc/23/50/42/1061235042.db2.gz YHUWHQHPFWYZSR-UHFFFAOYSA-N 1 1 484.523 2.908 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCCOC(F)(F)F)o1 ZINC001289593185 1061235062 /nfs/dbraw/zinc/23/50/62/1061235062.db2.gz YHUWHQHPFWYZSR-UHFFFAOYSA-N 1 1 484.523 2.908 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC001289596192 1061240575 /nfs/dbraw/zinc/24/05/75/1061240575.db2.gz YBLYLVLHOKJZBR-UHFFFAOYSA-N 1 1 486.665 2.503 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289596192 1061240595 /nfs/dbraw/zinc/24/05/95/1061240595.db2.gz YBLYLVLHOKJZBR-UHFFFAOYSA-N 1 1 486.665 2.503 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289596192 1061240619 /nfs/dbraw/zinc/24/06/19/1061240619.db2.gz YBLYLVLHOKJZBR-UHFFFAOYSA-N 1 1 486.665 2.503 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)C1 ZINC001286864184 1061241679 /nfs/dbraw/zinc/24/16/79/1061241679.db2.gz YTROTMXBCYDAFT-JOCHJYFZSA-N 1 1 484.693 2.798 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC001289600780 1061245421 /nfs/dbraw/zinc/24/54/21/1061245421.db2.gz QRROVRDXXWLIAD-HXUWFJFHSA-N 1 1 458.607 2.652 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)n2CCOC(C)(C)C)o1 ZINC001289602161 1061248326 /nfs/dbraw/zinc/24/83/26/1061248326.db2.gz MCRYVONPHHBPTB-NRFANRHFSA-N 1 1 474.650 2.893 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC001286868644 1061258248 /nfs/dbraw/zinc/25/82/48/1061258248.db2.gz AAKXUYUBQFHFDK-NFBKMPQASA-N 1 1 454.619 2.750 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870833 1061268186 /nfs/dbraw/zinc/26/81/86/1061268186.db2.gz KQXXABDSYKIAJG-REWPJTCUSA-N 1 1 471.650 2.715 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001289634649 1061267983 /nfs/dbraw/zinc/26/79/83/1061267983.db2.gz DPAXFZHHBHMNQD-CYFREDJKSA-N 1 1 461.607 2.825 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)o1 ZINC001289634650 1061268070 /nfs/dbraw/zinc/26/80/70/1061268070.db2.gz DPAXFZHHBHMNQD-DVECYGJZSA-N 1 1 461.607 2.825 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286871421 1061272084 /nfs/dbraw/zinc/27/20/84/1061272084.db2.gz NZPIOFZAQCNMQL-GHTZIAJQSA-N 1 1 493.578 2.985 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286871767 1061275696 /nfs/dbraw/zinc/27/56/96/1061275696.db2.gz PSZVLBKBSXQQKY-XXBNENTESA-N 1 1 470.666 2.684 20 0 JFADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(=O)n1C ZINC001289655803 1061278479 /nfs/dbraw/zinc/27/84/79/1061278479.db2.gz SKFFZZQGSFDXDF-OAQYLSRUSA-N 1 1 491.640 2.573 20 0 JFADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(F)c1 ZINC001289655857 1061279045 /nfs/dbraw/zinc/27/90/45/1061279045.db2.gz VLYPRWPVJQTXHD-SFHVURJKSA-N 1 1 458.582 2.602 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286873001 1061283592 /nfs/dbraw/zinc/28/35/92/1061283592.db2.gz ZYRXNGDGRAWCOA-AUSIDOKSSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001286873390 1061286147 /nfs/dbraw/zinc/28/61/47/1061286147.db2.gz ZNIATKMTGIEYEI-AMGIVPHBSA-N 1 1 498.672 2.898 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286874633 1061290252 /nfs/dbraw/zinc/29/02/52/1061290252.db2.gz AHTPODJCUOGHPX-PMACEKPBSA-N 1 1 464.618 2.646 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001286882561 1061311033 /nfs/dbraw/zinc/31/10/33/1061311033.db2.gz HXBPQCFALKYQNU-GOSISDBHSA-N 1 1 491.036 2.678 20 0 JFADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)CC2)cc1 ZINC001289701194 1061313892 /nfs/dbraw/zinc/31/38/92/1061313892.db2.gz PQNOXKHJQXRYLG-UHFFFAOYSA-N 1 1 495.672 2.582 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706920 1061317608 /nfs/dbraw/zinc/31/76/08/1061317608.db2.gz ZHIZXLKZTRFUOZ-UGKGYDQZSA-N 1 1 472.609 2.809 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001289708233 1061318927 /nfs/dbraw/zinc/31/89/27/1061318927.db2.gz TUPILLLQFICQSJ-UHFFFAOYSA-N 1 1 458.582 2.595 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001289708233 1061318944 /nfs/dbraw/zinc/31/89/44/1061318944.db2.gz TUPILLLQFICQSJ-UHFFFAOYSA-N 1 1 458.582 2.595 20 0 JFADMO Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001289713446 1061320741 /nfs/dbraw/zinc/32/07/41/1061320741.db2.gz KWPHAVUAMMIIRJ-NRFANRHFSA-N 1 1 476.647 2.562 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001286884977 1061322041 /nfs/dbraw/zinc/32/20/41/1061322041.db2.gz SLISJZGQEUZBHI-YLJYHZDGSA-N 1 1 459.664 2.811 20 0 JFADMO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001286885709 1061324813 /nfs/dbraw/zinc/32/48/13/1061324813.db2.gz NBYJUAUXLAGPMI-SFHVURJKSA-N 1 1 487.674 2.591 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286886191 1061327593 /nfs/dbraw/zinc/32/75/93/1061327593.db2.gz BFAFIOKKFDBBGS-QFBILLFUSA-N 1 1 497.591 2.624 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccnc4)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286886189 1061327765 /nfs/dbraw/zinc/32/77/65/1061327765.db2.gz BFAFIOKKFDBBGS-LPHOPBHVSA-N 1 1 497.591 2.624 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289721647 1061328507 /nfs/dbraw/zinc/32/85/07/1061328507.db2.gz NGKIDJMFJGPWQZ-XLIONFOSSA-N 1 1 490.674 2.748 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289721647 1061328528 /nfs/dbraw/zinc/32/85/28/1061328528.db2.gz NGKIDJMFJGPWQZ-XLIONFOSSA-N 1 1 490.674 2.748 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cc[nH+]c2C)[C@H](C)C1 ZINC001286886334 1061328856 /nfs/dbraw/zinc/32/88/56/1061328856.db2.gz ZBIHESPRCCIJAX-LJQANCHMSA-N 1 1 451.575 2.736 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289723029 1061331728 /nfs/dbraw/zinc/33/17/28/1061331728.db2.gz PGLLUOCHHUQDQZ-DEOSSOPVSA-N 1 1 484.004 2.899 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286886802 1061332269 /nfs/dbraw/zinc/33/22/69/1061332269.db2.gz ITRHWPINZPMXJI-XMSQKQJNSA-N 1 1 472.609 2.888 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286887034 1061333266 /nfs/dbraw/zinc/33/32/66/1061333266.db2.gz MEOWIODYOFRZLZ-XXBNENTESA-N 1 1 486.636 2.812 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4c(F)cccc4F)n3CC(C)C)C[C@@H]2C)CC1 ZINC001286887080 1061333395 /nfs/dbraw/zinc/33/33/95/1061333395.db2.gz MQUWBOOBGAWGOE-JTSKRJEESA-N 1 1 460.573 2.792 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286887140 1061333890 /nfs/dbraw/zinc/33/38/90/1061333890.db2.gz NSGVRQPIQOORGV-ZJCBTPCYSA-N 1 1 462.683 2.752 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001286887112 1061334057 /nfs/dbraw/zinc/33/40/57/1061334057.db2.gz NHMQLSFXSVOGEK-WBVHZDCISA-N 1 1 462.586 2.686 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C(C)C)C[C@@H]2C)CC1 ZINC001286887240 1061334979 /nfs/dbraw/zinc/33/49/79/1061334979.db2.gz PRBMAWUXIVALHR-FPOVZHCZSA-N 1 1 496.660 2.596 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3cccs3)C[C@@H]2C)CC1 ZINC001286887216 1061335015 /nfs/dbraw/zinc/33/50/15/1061335015.db2.gz PGMSRRMRJXFXGT-DMJCMNNJSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC4CCCC4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001286887398 1061335899 /nfs/dbraw/zinc/33/58/99/1061335899.db2.gz QSXMEAPLBVSVFE-NFBKMPQASA-N 1 1 460.667 2.552 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCc3ccccc3C(F)(F)F)C[C@@H]2C)CC1 ZINC001286887506 1061336875 /nfs/dbraw/zinc/33/68/75/1061336875.db2.gz RXOOMQMKMWVQMY-HRAATJIYSA-N 1 1 464.536 2.837 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(COc4ccc(C)cc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286887526 1061337355 /nfs/dbraw/zinc/33/73/55/1061337355.db2.gz SELPMOYNYAOABU-QPPBQGQZSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCO[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286887780 1061338495 /nfs/dbraw/zinc/33/84/95/1061338495.db2.gz USXSMZLGUXAFOL-SEIRJHJZSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001286888077 1061339769 /nfs/dbraw/zinc/33/97/69/1061339769.db2.gz JJIBNZWXGJQVKE-HXUWFJFHSA-N 1 1 472.659 2.658 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001286888634 1061342487 /nfs/dbraw/zinc/34/24/87/1061342487.db2.gz ZUHWGNITVLHVSW-XLIONFOSSA-N 1 1 490.052 2.797 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001286889788 1061350808 /nfs/dbraw/zinc/35/08/08/1061350808.db2.gz LPOWLDYGJPXGRZ-MRXNPFEDSA-N 1 1 461.408 2.718 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001289738559 1061350955 /nfs/dbraw/zinc/35/09/55/1061350955.db2.gz AKLWLNBCKPWJPB-NRFANRHFSA-N 1 1 470.618 2.873 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001286890381 1061353442 /nfs/dbraw/zinc/35/34/42/1061353442.db2.gz ZKTPFGVZOBHAKE-NRFANRHFSA-N 1 1 489.665 2.893 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001286890302 1061354015 /nfs/dbraw/zinc/35/40/15/1061354015.db2.gz PSXLOYABPGJSMM-LJQANCHMSA-N 1 1 478.439 2.825 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOCCCO)cc1C ZINC001289740291 1061354631 /nfs/dbraw/zinc/35/46/31/1061354631.db2.gz MRIUAFPCDWPRCR-UHFFFAOYSA-N 1 1 472.634 2.857 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001289741231 1061356573 /nfs/dbraw/zinc/35/65/73/1061356573.db2.gz TZNSMSLJZDBZFC-UHFFFAOYSA-N 1 1 490.674 2.893 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001286891444 1061360584 /nfs/dbraw/zinc/36/05/84/1061360584.db2.gz XQRRKLKHYRRMOM-LSDHHAIUSA-N 1 1 496.479 2.530 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(F)(F)C2)CC1 ZINC001286891555 1061361050 /nfs/dbraw/zinc/36/10/50/1061361050.db2.gz JHNHYZXVEDUGDD-UHFFFAOYSA-N 1 1 456.900 2.747 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001289744089 1061361398 /nfs/dbraw/zinc/36/13/98/1061361398.db2.gz UXVIJTVYYBANML-GJZUVCINSA-N 1 1 484.645 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@](C)(O)CCC(C)C)cc1C ZINC001289744089 1061361410 /nfs/dbraw/zinc/36/14/10/1061361410.db2.gz UXVIJTVYYBANML-GJZUVCINSA-N 1 1 484.645 2.855 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001286891711 1061361742 /nfs/dbraw/zinc/36/17/42/1061361742.db2.gz NVPIDGKOSOYYGQ-UHFFFAOYSA-N 1 1 459.392 2.598 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC001286895534 1061375471 /nfs/dbraw/zinc/37/54/71/1061375471.db2.gz LTZRDDBODZVLST-UHFFFAOYSA-N 1 1 463.590 2.693 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895682 1061376347 /nfs/dbraw/zinc/37/63/47/1061376347.db2.gz YOGBNEQFVULYNB-NLFFAJNJSA-N 1 1 495.672 2.862 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001286895873 1061376857 /nfs/dbraw/zinc/37/68/57/1061376857.db2.gz BYURUMPLRRZUKU-UHFFFAOYSA-N 1 1 477.613 2.818 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001289756008 1061378993 /nfs/dbraw/zinc/37/89/93/1061378993.db2.gz ICWRRPTYRHGWMW-NRFANRHFSA-N 1 1 481.645 2.904 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001289757755 1061379622 /nfs/dbraw/zinc/37/96/22/1061379622.db2.gz USNWBBKKINZUEC-HSZRJFAPSA-N 1 1 483.661 2.787 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286896567 1061379925 /nfs/dbraw/zinc/37/99/25/1061379925.db2.gz GUXNHXCLODMQHV-UHFFFAOYSA-N 1 1 487.624 2.571 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(N3C[C@@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)c1 ZINC001286896998 1061380971 /nfs/dbraw/zinc/38/09/71/1061380971.db2.gz KPUCPHMWMUSJHU-WZONZLPQSA-N 1 1 481.645 2.571 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286897974 1061383968 /nfs/dbraw/zinc/38/39/68/1061383968.db2.gz UPKVAQCTIYQXLF-ONZKCSKKSA-N 1 1 496.660 2.929 20 0 JFADMO Cc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764841 1061386522 /nfs/dbraw/zinc/38/65/22/1061386522.db2.gz ZXCIYECRIQSHQF-BDTNDASRSA-N 1 1 484.645 2.722 20 0 JFADMO Cc1ccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289764841 1061386539 /nfs/dbraw/zinc/38/65/39/1061386539.db2.gz ZXCIYECRIQSHQF-BDTNDASRSA-N 1 1 484.645 2.722 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001289769432 1061390451 /nfs/dbraw/zinc/39/04/51/1061390451.db2.gz PTACKBVQBVPQKN-VAMGGRTRSA-N 1 1 486.642 2.882 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001289772161 1061392996 /nfs/dbraw/zinc/39/29/96/1061392996.db2.gz FNKVRJZBRZWBBF-RBUKOAKNSA-N 1 1 461.632 2.519 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286900770 1061393352 /nfs/dbraw/zinc/39/33/52/1061393352.db2.gz LBVJTVAIGJBQTN-PDYGVTHMSA-N 1 1 456.639 2.683 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 ZINC001289774900 1061397035 /nfs/dbraw/zinc/39/70/35/1061397035.db2.gz MLKFUFUJWJNQOD-QFIPXVFZSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286903415 1061402664 /nfs/dbraw/zinc/40/26/64/1061402664.db2.gz BIJKBNCLAZZWEV-QUCCMNQESA-N 1 1 482.633 2.541 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(COc3cccc(C)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286903732 1061404723 /nfs/dbraw/zinc/40/47/23/1061404723.db2.gz MOMYAMYZUHKILQ-UHFFFAOYSA-N 1 1 484.645 2.771 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001286906563 1061427800 /nfs/dbraw/zinc/42/78/00/1061427800.db2.gz DWQDHLWLENVBBX-BWKNWUBXSA-N 1 1 476.666 2.546 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001289802708 1061438900 /nfs/dbraw/zinc/43/89/00/1061438900.db2.gz NLQABYXXTKWRRZ-NHCUHLMSSA-N 1 1 454.619 2.989 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286908144 1061439548 /nfs/dbraw/zinc/43/95/48/1061439548.db2.gz GBBFBPIFBXGGPC-SJLPKXTDSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911662 1061464760 /nfs/dbraw/zinc/46/47/60/1061464760.db2.gz HWVQQLKJDJHDGE-ZEQRLZLVSA-N 1 1 468.646 2.525 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001286913371 1061474259 /nfs/dbraw/zinc/47/42/59/1061474259.db2.gz PRCLPWAWEILFQG-XMMPIXPASA-N 1 1 478.645 2.767 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289818685 1061476154 /nfs/dbraw/zinc/47/61/54/1061476154.db2.gz ICLTYYUCLHFUFN-QHCPKHFHSA-N 1 1 498.672 2.829 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001289824924 1061493347 /nfs/dbraw/zinc/49/33/47/1061493347.db2.gz SCKBTGKTWVEPQK-HSZRJFAPSA-N 1 1 497.688 2.640 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289825201 1061495047 /nfs/dbraw/zinc/49/50/47/1061495047.db2.gz XDJNCUGLFNRAEU-OYRHEFFESA-N 1 1 484.645 2.640 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC001286918251 1061505337 /nfs/dbraw/zinc/50/53/37/1061505337.db2.gz BIIKKKWVVKVMBT-DEOSSOPVSA-N 1 1 468.646 2.587 20 0 JFADMO CC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001286919593 1061510341 /nfs/dbraw/zinc/51/03/41/1061510341.db2.gz MKXGWNROTBWPFJ-UHFFFAOYSA-N 1 1 464.618 2.672 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001286919688 1061511231 /nfs/dbraw/zinc/51/12/31/1061511231.db2.gz KUVJGGPITREPAV-UHFFFAOYSA-N 1 1 452.603 2.841 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286921272 1061516146 /nfs/dbraw/zinc/51/61/46/1061516146.db2.gz BYVJFCXQTZALDF-GOSISDBHSA-N 1 1 491.036 2.584 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001289856306 1061534021 /nfs/dbraw/zinc/53/40/21/1061534021.db2.gz POCZZMBSFFIEKS-UHFFFAOYSA-N 1 1 474.675 2.852 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001289860487 1061541056 /nfs/dbraw/zinc/54/10/56/1061541056.db2.gz AIKTVMATRNNSGD-FQEVSTJZSA-N 1 1 472.659 2.658 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289860488 1061541097 /nfs/dbraw/zinc/54/10/97/1061541097.db2.gz AIKTVMATRNNSGD-HXUWFJFHSA-N 1 1 472.659 2.658 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001289862520 1061545261 /nfs/dbraw/zinc/54/52/61/1061545261.db2.gz IKNQSRZWTZOHQA-RTWAWAEBSA-N 1 1 486.686 2.783 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286928136 1061547372 /nfs/dbraw/zinc/54/73/72/1061547372.db2.gz VZNYURSMXNSGPL-IBGZPJMESA-N 1 1 496.660 2.788 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001286928633 1061549395 /nfs/dbraw/zinc/54/93/95/1061549395.db2.gz ZEESFLMCPFUEAZ-UHFFFAOYSA-N 1 1 483.661 2.657 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001289869308 1061552330 /nfs/dbraw/zinc/55/23/30/1061552330.db2.gz YMLVJMIWXRHRKD-DEOSSOPVSA-N 1 1 472.659 2.704 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001289875309 1061557702 /nfs/dbraw/zinc/55/77/02/1061557702.db2.gz IFIHMKWHVWXRGB-FQEVSTJZSA-N 1 1 492.715 2.835 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001286932148 1061560371 /nfs/dbraw/zinc/56/03/71/1061560371.db2.gz NJBCMQOIAJILOW-UHFFFAOYSA-N 1 1 488.080 2.977 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286932148 1061560385 /nfs/dbraw/zinc/56/03/85/1061560385.db2.gz NJBCMQOIAJILOW-UHFFFAOYSA-N 1 1 488.080 2.977 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286932148 1061560397 /nfs/dbraw/zinc/56/03/97/1061560397.db2.gz NJBCMQOIAJILOW-UHFFFAOYSA-N 1 1 488.080 2.977 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286933942 1061566862 /nfs/dbraw/zinc/56/68/62/1061566862.db2.gz BXAHOAOKBBLPEN-HXUWFJFHSA-N 1 1 470.666 2.757 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(O)c2)CC[N@H+]1CCOC ZINC001294094612 1061572763 /nfs/dbraw/zinc/57/27/63/1061572763.db2.gz KNMHNSLWGLNSDU-QFIPXVFZSA-N 1 1 450.587 2.955 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001286936151 1061576697 /nfs/dbraw/zinc/57/66/97/1061576697.db2.gz WCBOXZJZROGPGE-UHFFFAOYSA-N 1 1 497.688 2.544 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC[N@H+]1CCOC ZINC001294097821 1061576891 /nfs/dbraw/zinc/57/68/91/1061576891.db2.gz CYOBVHNQUNCSTL-YPAWHYETSA-N 1 1 473.666 2.916 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC001286937206 1061579618 /nfs/dbraw/zinc/57/96/18/1061579618.db2.gz NWMJILCPGMXVBU-QFIPXVFZSA-N 1 1 454.619 2.580 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001289908391 1061597341 /nfs/dbraw/zinc/59/73/41/1061597341.db2.gz GFOGRLCKHKGGHO-NQIIRXRSSA-N 1 1 456.616 2.821 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001289908395 1061597421 /nfs/dbraw/zinc/59/74/21/1061597421.db2.gz GFOGRLCKHKGGHO-WIYYLYMNSA-N 1 1 456.616 2.821 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910573 1061602770 /nfs/dbraw/zinc/60/27/70/1061602770.db2.gz ZKXCNQZCNSHICD-OAQYLSRUSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910573 1061602782 /nfs/dbraw/zinc/60/27/82/1061602782.db2.gz ZKXCNQZCNSHICD-OAQYLSRUSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910571 1061602816 /nfs/dbraw/zinc/60/28/16/1061602816.db2.gz ZKXCNQZCNSHICD-NRFANRHFSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCCS(C)(=O)=O)n1 ZINC001289910571 1061602824 /nfs/dbraw/zinc/60/28/24/1061602824.db2.gz ZKXCNQZCNSHICD-NRFANRHFSA-N 1 1 468.627 2.794 20 0 JFADMO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CCS(C)(=O)=O)n1 ZINC001289926422 1061617496 /nfs/dbraw/zinc/61/74/96/1061617496.db2.gz WOWXFMZPHWXCSW-OAQYLSRUSA-N 1 1 468.627 2.651 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001289928647 1061618654 /nfs/dbraw/zinc/61/86/54/1061618654.db2.gz JHMHTXGLYDASOV-XMMPIXPASA-N 1 1 454.550 2.760 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286945236 1061621227 /nfs/dbraw/zinc/62/12/27/1061621227.db2.gz WIOULZVGEYGQOW-SIKLNZKXSA-N 1 1 469.634 2.502 20 0 JFADMO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294140202 1061627270 /nfs/dbraw/zinc/62/72/70/1061627270.db2.gz ZEFFHKWOLREWIV-UXHICEINSA-N 1 1 480.654 2.934 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001289947783 1061638018 /nfs/dbraw/zinc/63/80/18/1061638018.db2.gz KZAIERTXVVPWCK-HZPDHXFCSA-N 1 1 465.524 2.636 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286947295 1061642044 /nfs/dbraw/zinc/64/20/44/1061642044.db2.gz SXENEOQBAZCBGY-AUSIDOKSSA-N 1 1 482.654 2.792 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001289953544 1061648291 /nfs/dbraw/zinc/64/82/91/1061648291.db2.gz DQAGNNNKTKBCBB-UHFFFAOYSA-N 1 1 476.507 2.749 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948174 1061655179 /nfs/dbraw/zinc/65/51/79/1061655179.db2.gz ZVRPGOXJNVTYFX-OTNCWRBYSA-N 1 1 482.673 2.773 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001294165289 1061658102 /nfs/dbraw/zinc/65/81/02/1061658102.db2.gz INGKKHLJXFRCCA-HXUWFJFHSA-N 1 1 471.650 2.527 20 0 JFADMO CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001286949086 1061666831 /nfs/dbraw/zinc/66/68/31/1061666831.db2.gz BOXGKOCYCASPJO-UHFFFAOYSA-N 1 1 467.662 2.775 20 0 JFADMO CC(=O)NCCCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001286949528 1061672137 /nfs/dbraw/zinc/67/21/37/1061672137.db2.gz LCMATMTWRQIMGP-UHFFFAOYSA-N 1 1 465.602 2.567 20 0 JFADMO CC(=O)NCCCn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001286949528 1061672147 /nfs/dbraw/zinc/67/21/47/1061672147.db2.gz LCMATMTWRQIMGP-UHFFFAOYSA-N 1 1 465.602 2.567 20 0 JFADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001294172703 1061675129 /nfs/dbraw/zinc/67/51/29/1061675129.db2.gz MRMYJVOFSIATRQ-NRFANRHFSA-N 1 1 483.661 2.844 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001289973768 1061686388 /nfs/dbraw/zinc/68/63/88/1061686388.db2.gz WUJUONGWTLSQEX-QFIPXVFZSA-N 1 1 483.661 2.580 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC001294189301 1061698278 /nfs/dbraw/zinc/69/82/78/1061698278.db2.gz KEHVSETUZFYXPF-GOSISDBHSA-N 1 1 458.356 2.907 20 0 JFADMO CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001286952925 1061700041 /nfs/dbraw/zinc/70/00/41/1061700041.db2.gz ZAZSIVSYEJFKKM-UHFFFAOYSA-N 1 1 456.591 2.918 20 0 JFADMO CC(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286953848 1061702229 /nfs/dbraw/zinc/70/22/29/1061702229.db2.gz ZEIJIBXFISHTJJ-KDURUIRLSA-N 1 1 467.618 2.508 20 0 JFADMO CC(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286953848 1061702252 /nfs/dbraw/zinc/70/22/52/1061702252.db2.gz ZEIJIBXFISHTJJ-KDURUIRLSA-N 1 1 467.618 2.508 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4)C(=O)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289981024 1061702994 /nfs/dbraw/zinc/70/29/94/1061702994.db2.gz NRFBDWTZLLIJKQ-UHFFFAOYSA-N 1 1 451.550 2.981 20 0 JFADMO CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286955507 1061709698 /nfs/dbraw/zinc/70/96/98/1061709698.db2.gz ZKZMGKINZMIVKK-MHZLTWQESA-N 1 1 498.672 2.982 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001294208459 1061711310 /nfs/dbraw/zinc/71/13/10/1061711310.db2.gz DIWJJIOJXGGWHZ-JOCHJYFZSA-N 1 1 454.619 2.878 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001294209029 1061712076 /nfs/dbraw/zinc/71/20/76/1061712076.db2.gz MQGIIRIBCUHCQZ-YPAWHYETSA-N 1 1 481.707 2.944 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)CC1 ZINC001294209614 1061712508 /nfs/dbraw/zinc/71/25/08/1061712508.db2.gz WUBKTYPRGIPWLC-NRFANRHFSA-N 1 1 481.707 2.945 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 ZINC001294209670 1061713194 /nfs/dbraw/zinc/71/31/94/1061713194.db2.gz YEWHDSYZONQQHY-FQEVSTJZSA-N 1 1 455.607 2.629 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001294210553 1061715031 /nfs/dbraw/zinc/71/50/31/1061715031.db2.gz LWVGQMIHNNYISX-NLFFAJNJSA-N 1 1 460.667 2.900 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294214347 1061722565 /nfs/dbraw/zinc/72/25/65/1061722565.db2.gz HVMNRAJRYINSOR-VWLOTQADSA-N 1 1 456.635 2.987 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 ZINC001294214298 1061722676 /nfs/dbraw/zinc/72/26/76/1061722676.db2.gz GNAJBGMOPLDVAK-MRXNPFEDSA-N 1 1 454.666 2.635 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001294215422 1061724652 /nfs/dbraw/zinc/72/46/52/1061724652.db2.gz UPFDURSVMIIXRD-UHFFFAOYSA-N 1 1 466.590 2.956 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@H]1C ZINC001294217033 1061726429 /nfs/dbraw/zinc/72/64/29/1061726429.db2.gz OPVAYFDWTAUFKU-GOSISDBHSA-N 1 1 480.704 2.869 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294217246 1061727404 /nfs/dbraw/zinc/72/74/04/1061727404.db2.gz FNMSZBSALJGTBI-UXHICEINSA-N 1 1 470.618 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294217296 1061727835 /nfs/dbraw/zinc/72/78/35/1061727835.db2.gz QEUOZDQIUFIOTO-CQSZACIVSA-N 1 1 482.452 2.715 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217416 1061727939 /nfs/dbraw/zinc/72/79/39/1061727939.db2.gz HABHAYBUPLPLJU-BWKNWUBXSA-N 1 1 497.688 2.674 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294217247 1061728018 /nfs/dbraw/zinc/72/80/18/1061728018.db2.gz FNMSZBSALJGTBI-VQTJNVASSA-N 1 1 470.618 2.942 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001286959533 1061729728 /nfs/dbraw/zinc/72/97/28/1061729728.db2.gz XWOOWORRPGFNTO-HSZRJFAPSA-N 1 1 489.045 2.869 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294219076 1061730520 /nfs/dbraw/zinc/73/05/20/1061730520.db2.gz VXLSWGSSSHYVBI-SFTDATJTSA-N 1 1 470.618 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001294221986 1061732554 /nfs/dbraw/zinc/73/25/54/1061732554.db2.gz ZEQRYDYSTGOMKD-UHFFFAOYSA-N 1 1 454.623 2.696 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294223510 1061733743 /nfs/dbraw/zinc/73/37/43/1061733743.db2.gz GQNKTOYLABWKSO-LJQANCHMSA-N 1 1 494.644 2.635 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224415 1061735295 /nfs/dbraw/zinc/73/52/95/1061735295.db2.gz SZJMKUDMTDFWLW-TZIWHRDSSA-N 1 1 472.638 2.649 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225587 1061736700 /nfs/dbraw/zinc/73/67/00/1061736700.db2.gz GEMZZINDWWTNCB-OALUTQOASA-N 1 1 450.628 2.865 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294225747 1061737319 /nfs/dbraw/zinc/73/73/19/1061737319.db2.gz HLZJOYWAUVXZDZ-QFIPXVFZSA-N 1 1 488.702 2.856 20 0 JFADMO Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001290016906 1061740109 /nfs/dbraw/zinc/74/01/09/1061740109.db2.gz OSHMNMQQNHHFEP-OAQYLSRUSA-N 1 1 497.669 2.547 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294230097 1061747111 /nfs/dbraw/zinc/74/71/11/1061747111.db2.gz VLTDPWGXMNRONU-QKLQHJQFSA-N 1 1 463.545 2.818 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294230055 1061747257 /nfs/dbraw/zinc/74/72/57/1061747257.db2.gz UNCDFKSYLRHLIN-QHCPKHFHSA-N 1 1 479.622 2.743 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001294230426 1061747819 /nfs/dbraw/zinc/74/78/19/1061747819.db2.gz WGBKLNBGNIXUOV-OAQYLSRUSA-N 1 1 487.693 2.607 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001294230692 1061747934 /nfs/dbraw/zinc/74/79/34/1061747934.db2.gz ZRXRUYDWWBAGSG-IMSXRSKXSA-N 1 1 459.639 2.644 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001294233662 1061749217 /nfs/dbraw/zinc/74/92/17/1061749217.db2.gz WZVVANFNXMRKNV-SKPFHBQLSA-N 1 1 465.639 2.508 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001294233843 1061749346 /nfs/dbraw/zinc/74/93/46/1061749346.db2.gz ZNUUEJLLRKUYKV-KEVRVKNQSA-N 1 1 465.639 2.507 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCCNc2ccc(C)c[nH+]2)cc1 ZINC001294248824 1061755509 /nfs/dbraw/zinc/75/55/09/1061755509.db2.gz WFFUPJMMAFYUAY-OAQYLSRUSA-N 1 1 458.584 2.754 20 0 JFADMO CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294260443 1061762409 /nfs/dbraw/zinc/76/24/09/1061762409.db2.gz IRCYTWXNTQKKDM-LJQANCHMSA-N 1 1 486.617 2.514 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290058063 1061777815 /nfs/dbraw/zinc/77/78/15/1061777815.db2.gz BZSQMNRZZIZXOX-UXHICEINSA-N 1 1 454.619 2.988 20 0 JFADMO CCCCn1c(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294295821 1061781236 /nfs/dbraw/zinc/78/12/36/1061781236.db2.gz DLSUQBUXKDDNSR-VWLOTQADSA-N 1 1 476.666 2.501 20 0 JFADMO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c(C)n1 ZINC001294296892 1061784302 /nfs/dbraw/zinc/78/43/02/1061784302.db2.gz CTJVSLWYQJSZQZ-IBGZPJMESA-N 1 1 454.623 2.794 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294304899 1061792287 /nfs/dbraw/zinc/79/22/87/1061792287.db2.gz CAAQPEBJOFUDES-QFIPXVFZSA-N 1 1 473.666 2.616 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294306523 1061793477 /nfs/dbraw/zinc/79/34/77/1061793477.db2.gz BFTWAZVUHXTVQA-RBUKOAKNSA-N 1 1 470.618 2.929 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 ZINC001294306588 1061794103 /nfs/dbraw/zinc/79/41/03/1061794103.db2.gz CDPYNQKGOMYHIE-INIZCTEOSA-N 1 1 464.412 2.627 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001294306738 1061794148 /nfs/dbraw/zinc/79/41/48/1061794148.db2.gz COZGMCXFYLETMX-SBHAEUEKSA-N 1 1 494.662 2.714 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294308166 1061795488 /nfs/dbraw/zinc/79/54/88/1061795488.db2.gz HYOIKCNAPGIMFC-IBGZPJMESA-N 1 1 481.692 2.517 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294308427 1061795952 /nfs/dbraw/zinc/79/59/52/1061795952.db2.gz KPSWJBGCYMFQNN-GOTSBHOMSA-N 1 1 453.635 2.590 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309178 1061798328 /nfs/dbraw/zinc/79/83/28/1061798328.db2.gz SFGDXSDLFKXMHE-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294309169 1061798539 /nfs/dbraw/zinc/79/85/39/1061798539.db2.gz ZXXMNDOADQDIEV-ICSRJNTNSA-N 1 1 461.655 2.518 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC001290071611 1061798630 /nfs/dbraw/zinc/79/86/30/1061798630.db2.gz QABNEQGBRZUFIP-QFIPXVFZSA-N 1 1 498.672 2.707 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001294309361 1061799240 /nfs/dbraw/zinc/79/92/40/1061799240.db2.gz VXIGVHDTWFSVFQ-NJYVYQBISA-N 1 1 496.722 2.674 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001286978557 1061799941 /nfs/dbraw/zinc/79/99/41/1061799941.db2.gz VVFPAKSOSGPYKF-XQBPLPMBSA-N 1 1 489.686 2.877 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001286978557 1061799960 /nfs/dbraw/zinc/79/99/60/1061799960.db2.gz VVFPAKSOSGPYKF-XQBPLPMBSA-N 1 1 489.686 2.877 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294310746 1061801774 /nfs/dbraw/zinc/80/17/74/1061801774.db2.gz JAUOAZZRUOINSC-SFTDATJTSA-N 1 1 491.706 2.704 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCS(C)(=O)=O)c1 ZINC001290075150 1061804085 /nfs/dbraw/zinc/80/40/85/1061804085.db2.gz SOFKSVICUJBABA-UHFFFAOYSA-N 1 1 475.659 2.912 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290075509 1061804464 /nfs/dbraw/zinc/80/44/64/1061804464.db2.gz YERGWOPBAXMWBR-JOCHJYFZSA-N 1 1 492.615 2.909 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313763 1061806167 /nfs/dbraw/zinc/80/61/67/1061806167.db2.gz DVEYFNLHPRDODU-YADHBBJMSA-N 1 1 474.675 2.932 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294315660 1061808394 /nfs/dbraw/zinc/80/83/94/1061808394.db2.gz CKWOWZNAHCNKKY-GGAORHGYSA-N 1 1 484.645 2.771 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294316600 1061811373 /nfs/dbraw/zinc/81/13/73/1061811373.db2.gz HOWLAPWMKXPALI-SFTDATJTSA-N 1 1 457.623 2.794 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294317468 1061814141 /nfs/dbraw/zinc/81/41/41/1061814141.db2.gz KXSDTXRIDLVCTB-MOPGFXCFSA-N 1 1 487.674 2.591 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001294317699 1061814898 /nfs/dbraw/zinc/81/48/98/1061814898.db2.gz XVXCHYUHDWBNGF-YSFYHYPLSA-N 1 1 496.722 2.890 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294317756 1061814980 /nfs/dbraw/zinc/81/49/80/1061814980.db2.gz YNSKHCYPSPRNGY-JOCHJYFZSA-N 1 1 468.650 2.770 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294317954 1061816731 /nfs/dbraw/zinc/81/67/31/1061816731.db2.gz ZDDYTJUVYKQQJC-RCCFBDPRSA-N 1 1 493.596 2.602 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294318606 1061818594 /nfs/dbraw/zinc/81/85/94/1061818594.db2.gz URKOWOXRWJTDDI-FCHUYYIVSA-N 1 1 491.706 2.808 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294319421 1061822658 /nfs/dbraw/zinc/82/26/58/1061822658.db2.gz ZIUZISXVZREZMK-OTPAQWSUSA-N 1 1 476.666 2.640 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294319704 1061822686 /nfs/dbraw/zinc/82/26/86/1061822686.db2.gz CRLNPKFBZIQPPI-NYUJMHJJSA-N 1 1 484.645 2.542 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290095443 1061828112 /nfs/dbraw/zinc/82/81/12/1061828112.db2.gz NPHHDYYAEWKUTA-RTWAWAEBSA-N 1 1 454.619 2.753 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294325094 1061832843 /nfs/dbraw/zinc/83/28/43/1061832843.db2.gz JDHINGUNHXVERT-BHDDXSALSA-N 1 1 498.676 2.613 20 0 JFADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286983392 1061834862 /nfs/dbraw/zinc/83/48/62/1061834862.db2.gz YRMQICAQDYZQCB-SFHVURJKSA-N 1 1 457.623 2.515 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001294327804 1061843834 /nfs/dbraw/zinc/84/38/34/1061843834.db2.gz XIZFMXGBIBSDNT-VAMGGRTRSA-N 1 1 454.623 2.741 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCS(C)(=O)=O ZINC001290117993 1061846147 /nfs/dbraw/zinc/84/61/47/1061846147.db2.gz HCMWPQZYOACNFL-UHFFFAOYSA-N 1 1 488.702 2.683 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294328836 1061847521 /nfs/dbraw/zinc/84/75/21/1061847521.db2.gz IBUZHNCAOSDKIA-BDTNDASRSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294328836 1061847532 /nfs/dbraw/zinc/84/75/32/1061847532.db2.gz IBUZHNCAOSDKIA-BDTNDASRSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001294330855 1061850887 /nfs/dbraw/zinc/85/08/87/1061850887.db2.gz BKUMZECXEAFBBG-BHDDXSALSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001290123600 1061853413 /nfs/dbraw/zinc/85/34/13/1061853413.db2.gz BUECFJSOOHONJH-OAQYLSRUSA-N 1 1 472.659 2.623 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](C)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001294333156 1061863339 /nfs/dbraw/zinc/86/33/39/1061863339.db2.gz YQCFDNOTHFGQGW-QGZVFWFLSA-N 1 1 456.974 2.804 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294341584 1061889352 /nfs/dbraw/zinc/88/93/52/1061889352.db2.gz ICDPHSMCXPDJID-PZJWPPBQSA-N 1 1 470.666 2.932 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001290165592 1061907952 /nfs/dbraw/zinc/90/79/52/1061907952.db2.gz SLRHLKOUSXRCQX-UHFFFAOYSA-N 1 1 488.702 2.960 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001290166209 1061909313 /nfs/dbraw/zinc/90/93/13/1061909313.db2.gz ZHUHIZPMCZHOLI-OAQYLSRUSA-N 1 1 456.616 2.786 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294348902 1061912029 /nfs/dbraw/zinc/91/20/29/1061912029.db2.gz JAOUKXGDRSAKOU-XMMPIXPASA-N 1 1 478.707 2.742 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294349007 1061912816 /nfs/dbraw/zinc/91/28/16/1061912816.db2.gz MTTGHSUOIHWVMQ-LEWJYISDSA-N 1 1 487.693 2.654 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290173098 1061917963 /nfs/dbraw/zinc/91/79/63/1061917963.db2.gz JATYPVNEPZCQIX-QFIPXVFZSA-N 1 1 488.702 2.769 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001294357939 1061927955 /nfs/dbraw/zinc/92/79/55/1061927955.db2.gz RVTFTYUIKXAYAD-UHFFFAOYSA-N 1 1 487.693 2.655 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001294358318 1061929016 /nfs/dbraw/zinc/92/90/16/1061929016.db2.gz VVMSVOOKGNXOOS-UHFFFAOYSA-N 1 1 461.699 2.635 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294358318 1061929041 /nfs/dbraw/zinc/92/90/41/1061929041.db2.gz VVMSVOOKGNXOOS-UHFFFAOYSA-N 1 1 461.699 2.635 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294358318 1061929060 /nfs/dbraw/zinc/92/90/60/1061929060.db2.gz VVMSVOOKGNXOOS-UHFFFAOYSA-N 1 1 461.699 2.635 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001294358726 1061929938 /nfs/dbraw/zinc/92/99/38/1061929938.db2.gz PPJDXKIDDXWBMA-UHFFFAOYSA-N 1 1 469.634 2.584 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287007373 1061930466 /nfs/dbraw/zinc/93/04/66/1061930466.db2.gz UNBNPTXJUJIETR-NRFANRHFSA-N 1 1 474.675 2.569 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287007506 1061931719 /nfs/dbraw/zinc/93/17/19/1061931719.db2.gz PHHNQUXACAZOSQ-NRFANRHFSA-N 1 1 472.609 2.524 20 0 JFADMO Cc1ccccc1CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001290197005 1061938377 /nfs/dbraw/zinc/93/83/77/1061938377.db2.gz PIZSJSKKKBAKSD-UHFFFAOYSA-N 1 1 476.629 2.896 20 0 JFADMO Cc1ccccc1CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001290197005 1061938402 /nfs/dbraw/zinc/93/84/02/1061938402.db2.gz PIZSJSKKKBAKSD-UHFFFAOYSA-N 1 1 476.629 2.896 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1OC ZINC001294372456 1061941653 /nfs/dbraw/zinc/94/16/53/1061941653.db2.gz JEEFALFAUQAVAN-LJQANCHMSA-N 1 1 470.618 2.895 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287012208 1061944546 /nfs/dbraw/zinc/94/45/46/1061944546.db2.gz WNWWRLUUCZBXNH-HXUWFJFHSA-N 1 1 460.692 2.849 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(CCc3cccs3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287012208 1061944565 /nfs/dbraw/zinc/94/45/65/1061944565.db2.gz WNWWRLUUCZBXNH-HXUWFJFHSA-N 1 1 460.692 2.849 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(CCc3cccs3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287012208 1061944582 /nfs/dbraw/zinc/94/45/82/1061944582.db2.gz WNWWRLUUCZBXNH-HXUWFJFHSA-N 1 1 460.692 2.849 20 0 JFADMO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290203135 1061945594 /nfs/dbraw/zinc/94/55/94/1061945594.db2.gz OCLHECURAZNSPN-HXUWFJFHSA-N 1 1 470.618 2.554 20 0 JFADMO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCOCC1(C)C ZINC001290203135 1061945617 /nfs/dbraw/zinc/94/56/17/1061945617.db2.gz OCLHECURAZNSPN-HXUWFJFHSA-N 1 1 470.618 2.554 20 0 JFADMO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287013529 1061947004 /nfs/dbraw/zinc/94/70/04/1061947004.db2.gz BOYKEQHOSQHVTC-RTBURBONSA-N 1 1 474.675 2.989 20 0 JFADMO CCCCOCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294389935 1061960523 /nfs/dbraw/zinc/96/05/23/1061960523.db2.gz PVQLWILRNMITLN-MZYLBHOOSA-N 1 1 476.666 2.715 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287021095 1061960847 /nfs/dbraw/zinc/96/08/47/1061960847.db2.gz NUYDBALOVRWAPZ-UHFFFAOYSA-N 1 1 460.667 2.816 20 0 JFADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290217843 1061963280 /nfs/dbraw/zinc/96/32/80/1061963280.db2.gz MNPAYHBQTVEGJF-UHFFFAOYSA-N 1 1 497.669 2.890 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287025352 1061969024 /nfs/dbraw/zinc/96/90/24/1061969024.db2.gz JQPOAXUZKXYBPN-PXDATVDWSA-N 1 1 459.610 2.951 20 0 JFADMO CCCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294408711 1061974819 /nfs/dbraw/zinc/97/48/19/1061974819.db2.gz JEMGMFQOLBBQGY-NRFANRHFSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294408711 1061974842 /nfs/dbraw/zinc/97/48/42/1061974842.db2.gz JEMGMFQOLBBQGY-NRFANRHFSA-N 1 1 492.665 2.730 20 0 JFADMO C[C@@H]1C[N@H+](CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413982 1061979092 /nfs/dbraw/zinc/97/90/92/1061979092.db2.gz GIYGWWJBKKEDEX-XQBPLPMBSA-N 1 1 458.603 2.969 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287030163 1061980051 /nfs/dbraw/zinc/98/00/51/1061980051.db2.gz KMTNWBHQNODSFV-UHFFFAOYSA-N 1 1 466.634 2.753 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287031398 1061983982 /nfs/dbraw/zinc/98/39/82/1061983982.db2.gz FVFOLVHLLVVRKD-GOSISDBHSA-N 1 1 454.685 2.601 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287032035 1061985698 /nfs/dbraw/zinc/98/56/98/1061985698.db2.gz XUJHBJDFYPAEMW-FCHUYYIVSA-N 1 1 468.646 2.573 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287032036 1061985802 /nfs/dbraw/zinc/98/58/02/1061985802.db2.gz XUJHBJDFYPAEMW-FGZHOGPDSA-N 1 1 468.646 2.573 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(O)cc1 ZINC001287032421 1061987189 /nfs/dbraw/zinc/98/71/89/1061987189.db2.gz QWRHIJNILOBXMN-UHFFFAOYSA-N 1 1 454.619 2.755 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(O)cc1 ZINC001287032421 1061987203 /nfs/dbraw/zinc/98/72/03/1061987203.db2.gz QWRHIJNILOBXMN-UHFFFAOYSA-N 1 1 454.619 2.755 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287032730 1061988702 /nfs/dbraw/zinc/98/87/02/1061988702.db2.gz UKUGAQONTKBPGZ-UHFFFAOYSA-N 1 1 482.673 2.869 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287034175 1061994898 /nfs/dbraw/zinc/99/48/98/1061994898.db2.gz HZPADEAVMUUPOX-CTNGQTDRSA-N 1 1 493.599 2.853 20 0 JFADMO CN1CC[NH+](CCCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 ZINC001290270764 1061999678 /nfs/dbraw/zinc/99/96/78/1061999678.db2.gz GBKJKKBWMFDMEJ-UHFFFAOYSA-N 1 1 457.415 2.936 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001287036951 1062003306 /nfs/dbraw/zinc/00/33/06/1062003306.db2.gz ZRENIIKLUABTDS-FQEVSTJZSA-N 1 1 466.696 2.745 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001294456762 1062003917 /nfs/dbraw/zinc/00/39/17/1062003917.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 1 1 494.482 2.925 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456830 1062004834 /nfs/dbraw/zinc/00/48/34/1062004834.db2.gz KBFFDQCACRUCRV-ROUUACIJSA-N 1 1 466.627 2.552 20 0 JFADMO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290274063 1062005379 /nfs/dbraw/zinc/00/53/79/1062005379.db2.gz UBUQBYJGDDBYRI-HSZRJFAPSA-N 1 1 484.693 2.841 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459629 1062007028 /nfs/dbraw/zinc/00/70/28/1062007028.db2.gz VEKDZZJMYPAXAN-ZWKOTPCHSA-N 1 1 456.570 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 ZINC001294459670 1062007170 /nfs/dbraw/zinc/00/71/70/1062007170.db2.gz VQTCFLYPKUITTJ-AXHZCLLHSA-N 1 1 461.582 2.877 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CC1 ZINC001287041092 1062008410 /nfs/dbraw/zinc/00/84/10/1062008410.db2.gz DRIXBYLWTKBSEP-UHFFFAOYSA-N 1 1 469.678 2.935 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)C1 ZINC001294461323 1062010871 /nfs/dbraw/zinc/01/08/71/1062010871.db2.gz WOSSCKDJRRVKGZ-MRXNPFEDSA-N 1 1 487.045 2.797 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001294461912 1062011893 /nfs/dbraw/zinc/01/18/93/1062011893.db2.gz FLWMZEKWVBHDQC-GOSISDBHSA-N 1 1 472.638 2.714 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 ZINC001287043924 1062017763 /nfs/dbraw/zinc/01/77/63/1062017763.db2.gz BGZOZHUPHNRRJG-LJQANCHMSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468114 1062018237 /nfs/dbraw/zinc/01/82/37/1062018237.db2.gz KUYYVRBGWQXMEK-CABCVRRESA-N 1 1 469.599 2.601 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001294468802 1062019508 /nfs/dbraw/zinc/01/95/08/1062019508.db2.gz QDUHYEVAFDTLCX-VDGAXYAQSA-N 1 1 478.663 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469110 1062020448 /nfs/dbraw/zinc/02/04/48/1062020448.db2.gz UUVUGWDYDJHGDM-FHWLQOOXSA-N 1 1 477.654 2.653 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001294469033 1062020496 /nfs/dbraw/zinc/02/04/96/1062020496.db2.gz TWMPALKYUWROAB-VXKWHMMOSA-N 1 1 459.660 2.981 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287045192 1062021102 /nfs/dbraw/zinc/02/11/02/1062021102.db2.gz JQVAOHLYOXPUIE-RUZDIDTESA-N 1 1 490.599 2.753 20 0 JFADMO Cc1cnc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290293288 1062021577 /nfs/dbraw/zinc/02/15/77/1062021577.db2.gz LWHRDRVMQBULSS-YESZJQIVSA-N 1 1 456.620 2.849 20 0 JFADMO Cc1cnc([C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290293288 1062021597 /nfs/dbraw/zinc/02/15/97/1062021597.db2.gz LWHRDRVMQBULSS-YESZJQIVSA-N 1 1 456.620 2.849 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 ZINC001294469503 1062021729 /nfs/dbraw/zinc/02/17/29/1062021729.db2.gz AAPOFCRNJBESKC-CZSZKKDXSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294469940 1062023687 /nfs/dbraw/zinc/02/36/87/1062023687.db2.gz IQFOMZYPCXPOSH-TZIWHRDSSA-N 1 1 490.674 2.596 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)C1 ZINC001294469925 1062023756 /nfs/dbraw/zinc/02/37/56/1062023756.db2.gz IMDOMSTVWXJGLI-IBGZPJMESA-N 1 1 484.674 2.836 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 ZINC001294470441 1062024437 /nfs/dbraw/zinc/02/44/37/1062024437.db2.gz LTTDGCWKLJBIIA-FCHUYYIVSA-N 1 1 475.659 2.891 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 ZINC001294470825 1062024840 /nfs/dbraw/zinc/02/48/40/1062024840.db2.gz NJZVAFMJRJMGMK-AWEZNQCLSA-N 1 1 463.371 2.556 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294474218 1062026740 /nfs/dbraw/zinc/02/67/40/1062026740.db2.gz OWNISYNORUFFOR-OAQYLSRUSA-N 1 1 455.651 2.543 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001287046499 1062028954 /nfs/dbraw/zinc/02/89/54/1062028954.db2.gz RUEHDXLJZOTOGT-RTBURBONSA-N 1 1 470.609 2.796 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046534 1062029715 /nfs/dbraw/zinc/02/97/15/1062029715.db2.gz STHDZWWJUGEZJU-MSOLQXFVSA-N 1 1 474.572 2.703 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001287047030 1062031007 /nfs/dbraw/zinc/03/10/07/1062031007.db2.gz ZOQLWHGHSRQTDW-UHFFFAOYSA-N 1 1 461.614 2.916 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001294503474 1062038624 /nfs/dbraw/zinc/03/86/24/1062038624.db2.gz YJVUXJNPTACWOW-MRXNPFEDSA-N 1 1 453.377 2.593 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 ZINC001294504907 1062039796 /nfs/dbraw/zinc/03/97/96/1062039796.db2.gz FQFZHNWZDMRALK-UHFFFAOYSA-N 1 1 479.629 2.829 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287048831 1062040215 /nfs/dbraw/zinc/04/02/15/1062040215.db2.gz DRJFJFLXXNKCRS-UHFFFAOYSA-N 1 1 492.665 2.730 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287048831 1062040233 /nfs/dbraw/zinc/04/02/33/1062040233.db2.gz DRJFJFLXXNKCRS-UHFFFAOYSA-N 1 1 492.665 2.730 20 0 JFADMO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC001290317208 1062040406 /nfs/dbraw/zinc/04/04/06/1062040406.db2.gz DDGHVWHIQKVVFY-VQTJNVASSA-N 1 1 489.690 2.922 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(C1)CCCCCC2 ZINC001294505481 1062041110 /nfs/dbraw/zinc/04/11/10/1062041110.db2.gz KDBKMMNPZWLBLW-IBGZPJMESA-N 1 1 470.684 2.550 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294506195 1062043979 /nfs/dbraw/zinc/04/39/79/1062043979.db2.gz HPNISCNTFRDAIX-MRXNPFEDSA-N 1 1 494.413 2.792 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001294506383 1062044056 /nfs/dbraw/zinc/04/40/56/1062044056.db2.gz RGGQSOIWOINAMC-XMMPIXPASA-N 1 1 491.036 2.589 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001294508096 1062045982 /nfs/dbraw/zinc/04/59/82/1062045982.db2.gz XRMZCVAREPKXFE-UHFFFAOYSA-N 1 1 472.590 2.773 20 0 JFADMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 ZINC001294509940 1062046570 /nfs/dbraw/zinc/04/65/70/1062046570.db2.gz LHQXWIVSVWPDJU-NRFANRHFSA-N 1 1 457.596 2.873 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294513385 1062047643 /nfs/dbraw/zinc/04/76/43/1062047643.db2.gz DEQTWFVMYMOQLI-INIZCTEOSA-N 1 1 453.513 2.577 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294514036 1062048914 /nfs/dbraw/zinc/04/89/14/1062048914.db2.gz MAWYHGJZKUDRHS-IBGZPJMESA-N 1 1 487.674 2.639 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294514754 1062049859 /nfs/dbraw/zinc/04/98/59/1062049859.db2.gz CANNNQUVYAHDHQ-RUZDIDTESA-N 1 1 464.618 2.825 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001294514817 1062050347 /nfs/dbraw/zinc/05/03/47/1062050347.db2.gz CNGHVYUGYGHUSR-NRFANRHFSA-N 1 1 473.666 2.626 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294515237 1062050917 /nfs/dbraw/zinc/05/09/17/1062050917.db2.gz FYVAUJCWJITFLF-UHFFFAOYSA-N 1 1 464.618 2.921 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294515573 1062051634 /nfs/dbraw/zinc/05/16/34/1062051634.db2.gz IJCGPXSCDYNQSB-SLFFLAALSA-N 1 1 489.665 2.701 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001294516569 1062054203 /nfs/dbraw/zinc/05/42/03/1062054203.db2.gz WOWGPMHRSZZKGF-UHFFFAOYSA-N 1 1 464.618 2.681 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001294516536 1062054426 /nfs/dbraw/zinc/05/44/26/1062054426.db2.gz VHKAMAODPVVPND-ROUUACIJSA-N 1 1 463.652 2.584 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1cnccn1 ZINC001294518871 1062055175 /nfs/dbraw/zinc/05/51/75/1062055175.db2.gz AYMSKXWSBINPIU-HXUWFJFHSA-N 1 1 488.637 2.745 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001294518888 1062055225 /nfs/dbraw/zinc/05/52/25/1062055225.db2.gz BNXHGPVVQYWSNG-IBGZPJMESA-N 1 1 458.582 2.896 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001294520882 1062056740 /nfs/dbraw/zinc/05/67/40/1062056740.db2.gz BGDPYZPQLOGQTM-NQIIRXRSSA-N 1 1 470.618 2.657 20 0 JFADMO Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001290340076 1062057341 /nfs/dbraw/zinc/05/73/41/1062057341.db2.gz BCVYJPCJYFRYFR-UHFFFAOYSA-N 1 1 473.691 2.680 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 ZINC001294523558 1062059927 /nfs/dbraw/zinc/05/99/27/1062059927.db2.gz WPAGXFYZHHTLCS-VQTJNVASSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001294523386 1062059970 /nfs/dbraw/zinc/05/99/70/1062059970.db2.gz UCLPEPDMXGHEIS-LJQANCHMSA-N 1 1 468.654 2.751 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 ZINC001294523981 1062061145 /nfs/dbraw/zinc/06/11/45/1062061145.db2.gz JIAJRENTGAUIFA-QGZVFWFLSA-N 1 1 460.970 2.995 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287053887 1062061581 /nfs/dbraw/zinc/06/15/81/1062061581.db2.gz JPZZZDRSRMAAAF-NRFANRHFSA-N 1 1 476.666 2.915 20 0 JFADMO Cc1csc(Cn2c(N3CC[NH+](CCOC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001290354866 1062066515 /nfs/dbraw/zinc/06/65/15/1062066515.db2.gz VBOASPDDBNDWSQ-QHCPKHFHSA-N 1 1 478.663 2.679 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001294529954 1062066997 /nfs/dbraw/zinc/06/69/97/1062066997.db2.gz SQMULXBAKNBKTF-DFBJGRDBSA-N 1 1 489.665 2.798 20 0 JFADMO Cc1nc(C)c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC001290361853 1062070688 /nfs/dbraw/zinc/07/06/88/1062070688.db2.gz PZEPMJIGYRLCBP-QGZVFWFLSA-N 1 1 495.719 2.659 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001294548463 1062074256 /nfs/dbraw/zinc/07/42/56/1062074256.db2.gz OXZDVRJPLOOYOZ-FPOVZHCZSA-N 1 1 496.722 2.748 20 0 JFADMO Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC001290371927 1062075441 /nfs/dbraw/zinc/07/54/41/1062075441.db2.gz MSWYWSDESCRZKJ-FQEVSTJZSA-N 1 1 461.680 2.754 20 0 JFADMO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001294552319 1062076667 /nfs/dbraw/zinc/07/66/67/1062076667.db2.gz DSMACFMBJGLQIS-DNQXCXABSA-N 1 1 455.624 2.905 20 0 JFADMO CCOC(Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554962 1062076995 /nfs/dbraw/zinc/07/69/95/1062076995.db2.gz SSFWCSSKRJBZFM-IFMALSPDSA-N 1 1 455.603 2.991 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287058540 1062085688 /nfs/dbraw/zinc/08/56/88/1062085688.db2.gz HKEINPDUXJZBIT-QGZVFWFLSA-N 1 1 450.628 2.790 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287058540 1062085710 /nfs/dbraw/zinc/08/57/10/1062085710.db2.gz HKEINPDUXJZBIT-QGZVFWFLSA-N 1 1 450.628 2.790 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287058921 1062087827 /nfs/dbraw/zinc/08/78/27/1062087827.db2.gz OMOQZGOMCMIXCQ-LJQANCHMSA-N 1 1 464.655 2.916 20 0 JFADMO Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290385130 1062088509 /nfs/dbraw/zinc/08/85/09/1062088509.db2.gz HGSIDDVKHMTRBG-QKLQHJQFSA-N 1 1 480.704 2.625 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](C)C[NH+]2CCOCC2)cs1 ZINC001290397530 1062098134 /nfs/dbraw/zinc/09/81/34/1062098134.db2.gz QBVRJOOSFWXVPM-OAHLLOKOSA-N 1 1 479.054 2.625 20 0 JFADMO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC001294591065 1062102261 /nfs/dbraw/zinc/10/22/61/1062102261.db2.gz WHZUNBBIOJIBDM-UHFFFAOYSA-N 1 1 457.552 2.668 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001290400996 1062104196 /nfs/dbraw/zinc/10/41/96/1062104196.db2.gz JINQYXNSNVYOQP-UHFFFAOYSA-N 1 1 474.704 2.795 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290400996 1062104206 /nfs/dbraw/zinc/10/42/06/1062104206.db2.gz JINQYXNSNVYOQP-UHFFFAOYSA-N 1 1 474.704 2.795 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290400996 1062104221 /nfs/dbraw/zinc/10/42/21/1062104221.db2.gz JINQYXNSNVYOQP-UHFFFAOYSA-N 1 1 474.704 2.795 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CCCn2cc[nH+]c2C)cs1 ZINC001290402034 1062107661 /nfs/dbraw/zinc/10/76/61/1062107661.db2.gz UTKRCPGTCNPIDU-HDICACEKSA-N 1 1 472.663 2.774 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294603374 1062114621 /nfs/dbraw/zinc/11/46/21/1062114621.db2.gz ZGDCPTCROYAJTQ-RXVVDRJESA-N 1 1 470.618 2.751 20 0 JFADMO CCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294603375 1062114680 /nfs/dbraw/zinc/11/46/80/1062114680.db2.gz ZGDCPTCROYAJTQ-WIYYLYMNSA-N 1 1 470.618 2.751 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCOCC2)C1 ZINC001287064429 1062127114 /nfs/dbraw/zinc/12/71/14/1062127114.db2.gz RSGMNGRVGHPJST-FQEVSTJZSA-N 1 1 485.633 2.804 20 0 JFADMO CC(C)(C)C(=O)Nc1nc(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC001290416080 1062136332 /nfs/dbraw/zinc/13/63/32/1062136332.db2.gz LVYVAAKKLNAKTN-UHFFFAOYSA-N 1 1 457.644 2.994 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)C1 ZINC001294632198 1062138854 /nfs/dbraw/zinc/13/88/54/1062138854.db2.gz GEIHUVOTIJBTRV-NHCUHLMSSA-N 1 1 456.639 2.803 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287065627 1062139410 /nfs/dbraw/zinc/13/94/10/1062139410.db2.gz PHOXFQFHQXSVOE-NRFANRHFSA-N 1 1 499.660 2.726 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287065627 1062139423 /nfs/dbraw/zinc/13/94/23/1062139423.db2.gz PHOXFQFHQXSVOE-NRFANRHFSA-N 1 1 499.660 2.726 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)C1 ZINC001294633067 1062141128 /nfs/dbraw/zinc/14/11/28/1062141128.db2.gz LGVCXIMXHHIJII-AJGMTHFWSA-N 1 1 476.666 2.701 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](c3nccs3)C2)C1 ZINC001294633153 1062142234 /nfs/dbraw/zinc/14/22/34/1062142234.db2.gz NKZCPDYVRFJNTM-IEBWSBKVSA-N 1 1 475.663 2.963 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CCC(N)=O)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290417295 1062143970 /nfs/dbraw/zinc/14/39/70/1062143970.db2.gz IGJMHRGDDGVZNJ-SFHVURJKSA-N 1 1 489.690 2.617 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294633958 1062144477 /nfs/dbraw/zinc/14/44/77/1062144477.db2.gz QMUIONKZAVYTIS-PMACEKPBSA-N 1 1 489.665 2.692 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC001294634928 1062145128 /nfs/dbraw/zinc/14/51/28/1062145128.db2.gz VQYAMZHEYJXSGP-OALUTQOASA-N 1 1 473.597 2.730 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)C1 ZINC001294634989 1062146661 /nfs/dbraw/zinc/14/66/61/1062146661.db2.gz WVBLUWDKZSIHRL-FQEVSTJZSA-N 1 1 469.634 2.840 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@H](c3ccsc3)C2)C1 ZINC001294637618 1062151989 /nfs/dbraw/zinc/15/19/89/1062151989.db2.gz LKGFOCUHJZHKRM-CGBFIWBNSA-N 1 1 496.703 2.648 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287066919 1062151936 /nfs/dbraw/zinc/15/19/36/1062151936.db2.gz KGPVSEHIJZWFAX-QGZVFWFLSA-N 1 1 460.554 2.520 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287066919 1062151943 /nfs/dbraw/zinc/15/19/43/1062151943.db2.gz KGPVSEHIJZWFAX-QGZVFWFLSA-N 1 1 460.554 2.520 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@H]2CC)C1 ZINC001294639843 1062156438 /nfs/dbraw/zinc/15/64/38/1062156438.db2.gz XUWXAGXZOZGVKN-GBESFXJTSA-N 1 1 452.669 2.779 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC=C(c3ccccc3)C2)C1 ZINC001294641089 1062160547 /nfs/dbraw/zinc/16/05/47/1062160547.db2.gz JIWXJHSSWBUSRT-VQTJNVASSA-N 1 1 472.659 2.914 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC001290422218 1062161418 /nfs/dbraw/zinc/16/14/18/1062161418.db2.gz WNYSFSIUXKVETK-LPHOPBHVSA-N 1 1 480.704 2.768 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)CCS(C)(=O)=O)C1 ZINC001294641892 1062163901 /nfs/dbraw/zinc/16/39/01/1062163901.db2.gz QIQCVTYQECKKIO-OAHLLOKOSA-N 1 1 487.468 2.639 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294642240 1062165339 /nfs/dbraw/zinc/16/53/39/1062165339.db2.gz TTZLTUBGFVCYMD-SESVDKBCSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001294642300 1062165377 /nfs/dbraw/zinc/16/53/77/1062165377.db2.gz UDLLPDLLDJKXKV-QGZVFWFLSA-N 1 1 494.482 2.986 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001294642895 1062166429 /nfs/dbraw/zinc/16/64/29/1062166429.db2.gz WQTPTPLKWLIUBR-QVKFZJNVSA-N 1 1 478.439 2.730 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001294643273 1062167596 /nfs/dbraw/zinc/16/75/96/1062167596.db2.gz YVAFVGIEBCHZMH-FHWLQOOXSA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCCN(CC(=O)N(CC)CC)CC2)C1 ZINC001294646495 1062176494 /nfs/dbraw/zinc/17/64/94/1062176494.db2.gz LFQMJKMUJWWQMV-JOCHJYFZSA-N 1 1 485.677 2.959 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294647008 1062179719 /nfs/dbraw/zinc/17/97/19/1062179719.db2.gz QSBZNCOAVSWHHG-WMZOPIPTSA-N 1 1 482.050 2.962 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001287069327 1062180207 /nfs/dbraw/zinc/18/02/07/1062180207.db2.gz SIEMIEDSMMYMGD-QGZVFWFLSA-N 1 1 462.620 2.690 20 0 JFADMO Cc1nc(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001290428338 1062180843 /nfs/dbraw/zinc/18/08/43/1062180843.db2.gz IMJDYRZPNVTTBX-HXUWFJFHSA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC001294647012 1062180849 /nfs/dbraw/zinc/18/08/49/1062180849.db2.gz QTSMHHKLHNGSTM-SFTDATJTSA-N 1 1 454.619 2.990 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCOC[C@H]2CCOC2)cs1 ZINC001290428915 1062182712 /nfs/dbraw/zinc/18/27/12/1062182712.db2.gz UHOZYSBKTISTHW-HXUWFJFHSA-N 1 1 462.664 2.998 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294648031 1062185786 /nfs/dbraw/zinc/18/57/86/1062185786.db2.gz YCRJJUGGHZJVRT-IBGZPJMESA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001294648570 1062187809 /nfs/dbraw/zinc/18/78/09/1062187809.db2.gz KDSYUHKIXNERFB-INIZCTEOSA-N 1 1 491.434 2.727 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)C1 ZINC001294648645 1062187953 /nfs/dbraw/zinc/18/79/53/1062187953.db2.gz LDOFZVVXNJDFMF-LQWHRVPQSA-N 1 1 478.638 2.722 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287070002 1062188034 /nfs/dbraw/zinc/18/80/34/1062188034.db2.gz CKPDRUODNRKFIA-NHCUHLMSSA-N 1 1 486.617 2.510 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC001294649601 1062192383 /nfs/dbraw/zinc/19/23/83/1062192383.db2.gz DLNXWFAWSVBBNI-FQEVSTJZSA-N 1 1 456.639 2.599 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001290431745 1062193138 /nfs/dbraw/zinc/19/31/38/1062193138.db2.gz JKYDDKAICBMNSV-PKOBYXMFSA-N 1 1 459.664 2.669 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)C1 ZINC001294651256 1062196982 /nfs/dbraw/zinc/19/69/82/1062196982.db2.gz NUFQCYYWAUKMAC-HXUWFJFHSA-N 1 1 489.690 2.631 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(CC2CC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001287070973 1062197294 /nfs/dbraw/zinc/19/72/94/1062197294.db2.gz UPCFORCACLKZES-UHFFFAOYSA-N 1 1 470.618 2.956 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294651797 1062198149 /nfs/dbraw/zinc/19/81/49/1062198149.db2.gz SMNJGZUIXGXOPQ-AZUAARDMSA-N 1 1 472.638 2.904 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290435052 1062202778 /nfs/dbraw/zinc/20/27/78/1062202778.db2.gz FRRYBAZMLVVNLY-LJQANCHMSA-N 1 1 461.680 2.665 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658019 1062203209 /nfs/dbraw/zinc/20/32/09/1062203209.db2.gz NOHKCOVHJHMEAA-HSALFYBXSA-N 1 1 478.638 2.544 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658971 1062205914 /nfs/dbraw/zinc/20/59/14/1062205914.db2.gz SWIYESCORGQANO-GOSISDBHSA-N 1 1 452.669 2.576 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287072774 1062208633 /nfs/dbraw/zinc/20/86/33/1062208633.db2.gz RJAKONSOVXFMHL-MOPGFXCFSA-N 1 1 473.622 2.614 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001287072751 1062208700 /nfs/dbraw/zinc/20/87/00/1062208700.db2.gz QOZVBRFAOPVSHB-HXUWFJFHSA-N 1 1 488.608 2.834 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001294661539 1062212407 /nfs/dbraw/zinc/21/24/07/1062212407.db2.gz QHGYRWBPTFDUQU-HXUWFJFHSA-N 1 1 475.037 2.549 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215883 /nfs/dbraw/zinc/21/58/83/1062215883.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215898 /nfs/dbraw/zinc/21/58/98/1062215898.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCS(=O)CC2)C1 ZINC001294666079 1062218841 /nfs/dbraw/zinc/21/88/41/1062218841.db2.gz ABCPAUFWTKAEAZ-LJQANCHMSA-N 1 1 461.632 2.556 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666342 1062219197 /nfs/dbraw/zinc/21/91/97/1062219197.db2.gz CPYPXXSZTBSUNO-NRFANRHFSA-N 1 1 454.619 2.989 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666343 1062219306 /nfs/dbraw/zinc/21/93/06/1062219306.db2.gz CPYPXXSZTBSUNO-OAQYLSRUSA-N 1 1 454.619 2.989 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294667292 1062221314 /nfs/dbraw/zinc/22/13/14/1062221314.db2.gz WSMCQKQEBXEZCC-NLFFAJNJSA-N 1 1 454.619 2.908 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223404 /nfs/dbraw/zinc/22/34/04/1062223404.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223417 /nfs/dbraw/zinc/22/34/17/1062223417.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294667933 1062223537 /nfs/dbraw/zinc/22/35/37/1062223537.db2.gz CWLODQKQRRETAB-FQEVSTJZSA-N 1 1 466.696 2.603 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001294668806 1062223870 /nfs/dbraw/zinc/22/38/70/1062223870.db2.gz DEJPMMDXGPPYHE-CPJSRVTESA-N 1 1 492.665 2.719 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224367 /nfs/dbraw/zinc/22/43/67/1062224367.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224388 /nfs/dbraw/zinc/22/43/88/1062224388.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294670303 1062227270 /nfs/dbraw/zinc/22/72/70/1062227270.db2.gz RGJSOQRNZGRDEW-SFTDATJTSA-N 1 1 454.619 2.873 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670376 1062228723 /nfs/dbraw/zinc/22/87/23/1062228723.db2.gz QZAGNPFDPHWZEG-WAOWUJCRSA-N 1 1 476.647 2.706 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671501 1062229877 /nfs/dbraw/zinc/22/98/77/1062229877.db2.gz XOBAXIILSXFGRG-XUVXKRRUSA-N 1 1 469.696 2.800 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684610 1062244756 /nfs/dbraw/zinc/24/47/56/1062244756.db2.gz VAFUFMOGVNTTJV-HBMCJLEFSA-N 1 1 462.683 2.980 20 0 JFADMO CC(C)(C)OCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287083615 1062245535 /nfs/dbraw/zinc/24/55/35/1062245535.db2.gz ZGPAXWLGCPQJOU-LJQANCHMSA-N 1 1 461.582 2.970 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294692960 1062252430 /nfs/dbraw/zinc/25/24/30/1062252430.db2.gz FFVGVMODISIPOI-SFHVURJKSA-N 1 1 461.408 2.908 20 0 JFADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294694542 1062254613 /nfs/dbraw/zinc/25/46/13/1062254613.db2.gz KJJUWSPGPFARGR-RTWAWAEBSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294694542 1062254636 /nfs/dbraw/zinc/25/46/36/1062254636.db2.gz KJJUWSPGPFARGR-RTWAWAEBSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294695560 1062256747 /nfs/dbraw/zinc/25/67/47/1062256747.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 1 1 498.676 2.737 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294697596 1062259426 /nfs/dbraw/zinc/25/94/26/1062259426.db2.gz UVDQZOJAROBPNK-WMZOPIPTSA-N 1 1 492.466 2.978 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294698388 1062260739 /nfs/dbraw/zinc/26/07/39/1062260739.db2.gz IHTPLDRSVBJEMH-KRWDZBQOSA-N 1 1 491.434 2.917 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOCC1 ZINC001294698211 1062260910 /nfs/dbraw/zinc/26/09/10/1062260910.db2.gz IWZDQIIWWBJFHR-OAQYLSRUSA-N 1 1 456.635 2.987 20 0 JFADMO Cc1nc(CN2CCN(c3nnc([C@H]4CCCOC4)n3CCC[N@H+](C)C(C)C)CC2)cs1 ZINC001290470158 1062261462 /nfs/dbraw/zinc/26/14/62/1062261462.db2.gz XVIAMTZIPZJIFC-FQEVSTJZSA-N 1 1 461.680 2.990 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698841 1062262489 /nfs/dbraw/zinc/26/24/89/1062262489.db2.gz ZOTFLGZVUGYOLK-YLJYHZDGSA-N 1 1 466.627 2.928 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001294699548 1062264203 /nfs/dbraw/zinc/26/42/03/1062264203.db2.gz QGGIBXZBRMUGMZ-JOCHJYFZSA-N 1 1 464.618 2.939 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294700215 1062264738 /nfs/dbraw/zinc/26/47/38/1062264738.db2.gz VOBJQBMTCGOVPQ-RBBKRZOGSA-N 1 1 489.690 2.712 20 0 JFADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001290475146 1062266671 /nfs/dbraw/zinc/26/66/71/1062266671.db2.gz WZJPQJLELGZZKN-QHCPKHFHSA-N 1 1 469.615 2.615 20 0 JFADMO CC(C)(Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287087628 1062268964 /nfs/dbraw/zinc/26/89/64/1062268964.db2.gz IZWFDNPJWDFGLX-OAQYLSRUSA-N 1 1 470.540 2.914 20 0 JFADMO Cc1ncc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001290488535 1062274707 /nfs/dbraw/zinc/27/47/07/1062274707.db2.gz DKDWRYCXYNKEQF-QGZVFWFLSA-N 1 1 453.616 2.940 20 0 JFADMO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001294708358 1062274719 /nfs/dbraw/zinc/27/47/19/1062274719.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001294708358 1062274744 /nfs/dbraw/zinc/27/47/44/1062274744.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708886 1062275520 /nfs/dbraw/zinc/27/55/20/1062275520.db2.gz SMQYPJUZHFMSKO-RBBKRZOGSA-N 1 1 496.722 2.687 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294708891 1062276267 /nfs/dbraw/zinc/27/62/67/1062276267.db2.gz SNDWKTKNRNPWNU-YADARESESA-N 1 1 459.639 2.556 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001294710107 1062278390 /nfs/dbraw/zinc/27/83/90/1062278390.db2.gz OAXHFYFGVKFDLO-SVFBPWRDSA-N 1 1 462.664 2.786 20 0 JFADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(CC(F)F)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287090060 1062280368 /nfs/dbraw/zinc/28/03/68/1062280368.db2.gz VRVBAXOLBOQXCU-UYAOXDASSA-N 1 1 484.636 2.695 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712574 1062282656 /nfs/dbraw/zinc/28/26/56/1062282656.db2.gz UFSAEQRMWBIFBV-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC(C)(Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCOCC1 ZINC001287091983 1062286385 /nfs/dbraw/zinc/28/63/85/1062286385.db2.gz QUNJSQGFSCFXEA-UHFFFAOYSA-N 1 1 462.536 2.679 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287091943 1062286425 /nfs/dbraw/zinc/28/64/25/1062286425.db2.gz PRICUMNJPBQOSW-KRWDZBQOSA-N 1 1 477.654 2.843 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287091944 1062286558 /nfs/dbraw/zinc/28/65/58/1062286558.db2.gz PRICUMNJPBQOSW-QGZVFWFLSA-N 1 1 477.654 2.843 20 0 JFADMO CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001294719508 1062293224 /nfs/dbraw/zinc/29/32/24/1062293224.db2.gz GOWYXGYBHYMHFL-LVXARBLLSA-N 1 1 490.693 2.889 20 0 JFADMO CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294719510 1062293270 /nfs/dbraw/zinc/29/32/70/1062293270.db2.gz GOWYXGYBHYMHFL-RLWLMLJZSA-N 1 1 490.693 2.889 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccn2)cc1F ZINC001290501385 1062293791 /nfs/dbraw/zinc/29/37/91/1062293791.db2.gz LJDSJCLHOXRCMB-MRXNPFEDSA-N 1 1 498.588 2.601 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@H]2C)cc1F ZINC001290502056 1062296840 /nfs/dbraw/zinc/29/68/40/1062296840.db2.gz VTRJIMJUVBMVLJ-OWCLPIDISA-N 1 1 475.594 2.805 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)CS(C)(=O)=O)cn1 ZINC001290504513 1062301039 /nfs/dbraw/zinc/30/10/39/1062301039.db2.gz VFROBJNASWJWDS-MRXNPFEDSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 ZINC001290504606 1062301878 /nfs/dbraw/zinc/30/18/78/1062301878.db2.gz WIQBCDWMQFVDEG-HFCFLWKCSA-N 1 1 451.641 2.889 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001290504580 1062302000 /nfs/dbraw/zinc/30/20/00/1062302000.db2.gz WDXKSDRWRCQKRC-FQEVSTJZSA-N 1 1 484.649 2.631 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290506063 1062303753 /nfs/dbraw/zinc/30/37/53/1062303753.db2.gz HFBFFJVFTBGIAA-RBUKOAKNSA-N 1 1 486.621 2.566 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290506873 1062304868 /nfs/dbraw/zinc/30/48/68/1062304868.db2.gz HXGOEYSCCFQROT-QGZVFWFLSA-N 1 1 455.538 2.648 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001290507116 1062304950 /nfs/dbraw/zinc/30/49/50/1062304950.db2.gz MSIVZURQPAZBRP-HXUWFJFHSA-N 1 1 465.606 2.709 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001290508460 1062306677 /nfs/dbraw/zinc/30/66/77/1062306677.db2.gz UJAUHANJAXLALZ-GOSISDBHSA-N 1 1 476.578 2.605 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)C1 ZINC001290510875 1062308789 /nfs/dbraw/zinc/30/87/89/1062308789.db2.gz HOBWCRWLKDTNFU-UHFFFAOYSA-N 1 1 476.354 2.720 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001290511386 1062310679 /nfs/dbraw/zinc/31/06/79/1062310679.db2.gz SUZYAHVBVPNEOR-BXWFABGCSA-N 1 1 493.659 2.511 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001290511388 1062310815 /nfs/dbraw/zinc/31/08/15/1062310815.db2.gz SUZYAHVBVPNEOR-JTDSTZFVSA-N 1 1 493.659 2.511 20 0 JFADMO CCCN1CCCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001294731548 1062312447 /nfs/dbraw/zinc/31/24/47/1062312447.db2.gz VRSCCWBGJRUUBM-BGYRXZFFSA-N 1 1 454.623 2.552 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290514678 1062313657 /nfs/dbraw/zinc/31/36/57/1062313657.db2.gz AXGOHNKSXQFWGM-NRFANRHFSA-N 1 1 496.616 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC(N)=O ZINC001290515375 1062315858 /nfs/dbraw/zinc/31/58/58/1062315858.db2.gz XYBJZCMYZKCIDG-QGZVFWFLSA-N 1 1 491.600 2.531 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CCCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001290518121 1062319713 /nfs/dbraw/zinc/31/97/13/1062319713.db2.gz WLFHSVBWTXFKPY-UHFFFAOYSA-N 1 1 485.658 2.520 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001290521511 1062321087 /nfs/dbraw/zinc/32/10/87/1062321087.db2.gz KGRYGYOOVWGCCZ-JKSUJKDBSA-N 1 1 464.567 2.632 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001290521544 1062321583 /nfs/dbraw/zinc/32/15/83/1062321583.db2.gz LDWGTAMMFASCMX-UHFFFAOYSA-N 1 1 478.022 2.664 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(F)F)CC1 ZINC001290521556 1062321672 /nfs/dbraw/zinc/32/16/72/1062321672.db2.gz LJWVSNNBFKXTJZ-UHFFFAOYSA-N 1 1 469.338 2.628 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccc(F)cc1)C(C)C ZINC001290521976 1062322304 /nfs/dbraw/zinc/32/23/04/1062322304.db2.gz RQNSTZHYJVTAJP-INIZCTEOSA-N 1 1 463.583 2.648 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001290522071 1062322817 /nfs/dbraw/zinc/32/28/17/1062322817.db2.gz DDSLQBKZVRYDDD-GOSISDBHSA-N 1 1 459.595 2.871 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[N@H+](C)C(C)C)CC1 ZINC001287111062 1062326196 /nfs/dbraw/zinc/32/61/96/1062326196.db2.gz ZCNRUOGPBFLVOR-QFIPXVFZSA-N 1 1 470.618 2.826 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001290524541 1062326219 /nfs/dbraw/zinc/32/62/19/1062326219.db2.gz FJNWCJFUKSWWQZ-CVEARBPZSA-N 1 1 465.023 2.985 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001290525023 1062327730 /nfs/dbraw/zinc/32/77/30/1062327730.db2.gz UWJQXCNSTCTXMK-FQEVSTJZSA-N 1 1 450.591 2.600 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001287112458 1062329323 /nfs/dbraw/zinc/32/93/23/1062329323.db2.gz QITBHPPODGMALA-HSZRJFAPSA-N 1 1 482.673 2.885 20 0 JFADMO C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@H]1C[N@H+](C)CCO1 ZINC001294742598 1062329574 /nfs/dbraw/zinc/32/95/74/1062329574.db2.gz RUOSUGDTDJFBBX-CXAGYDPISA-N 1 1 450.333 2.768 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001290529045 1062329706 /nfs/dbraw/zinc/32/97/06/1062329706.db2.gz MIEILKRUUOQCOE-HXUWFJFHSA-N 1 1 486.642 2.983 20 0 JFADMO C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@H]1C[N@@H+](C)CCO1 ZINC001294742598 1062329598 /nfs/dbraw/zinc/32/95/98/1062329598.db2.gz RUOSUGDTDJFBBX-CXAGYDPISA-N 1 1 450.333 2.768 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CN2CCCC2=O)nnc1N(C)CCOc1cccc(Cl)c1 ZINC001290529037 1062329842 /nfs/dbraw/zinc/32/98/42/1062329842.db2.gz MHFLVHMONMTFBJ-UHFFFAOYSA-N 1 1 457.966 2.774 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001290530034 1062331369 /nfs/dbraw/zinc/33/13/69/1062331369.db2.gz WPTPRMMLCSBTDL-AMBYYYRHSA-N 1 1 459.595 2.868 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001290530254 1062331835 /nfs/dbraw/zinc/33/18/35/1062331835.db2.gz YVKUBELBHXEMCZ-UKBAYJJMSA-N 1 1 466.652 2.660 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001290530114 1062332051 /nfs/dbraw/zinc/33/20/51/1062332051.db2.gz YJEXFFNDUVWYBO-GOSISDBHSA-N 1 1 491.518 2.610 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001294743864 1062333497 /nfs/dbraw/zinc/33/34/97/1062333497.db2.gz XQDMBMIXLXWOLK-UHFFFAOYSA-N 1 1 498.672 2.979 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3CC)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001294743864 1062333519 /nfs/dbraw/zinc/33/35/19/1062333519.db2.gz XQDMBMIXLXWOLK-UHFFFAOYSA-N 1 1 498.672 2.979 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 ZINC001294744021 1062334767 /nfs/dbraw/zinc/33/47/67/1062334767.db2.gz JWCGHXMCAYWAAQ-CVEARBPZSA-N 1 1 489.484 2.642 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294744452 1062335935 /nfs/dbraw/zinc/33/59/35/1062335935.db2.gz UMUJAGLOGVPZGE-NRFANRHFSA-N 1 1 461.655 2.518 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290537521 1062337799 /nfs/dbraw/zinc/33/77/99/1062337799.db2.gz DHOVIOHCDDNNDO-UHFFFAOYSA-N 1 1 456.639 2.623 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294749250 1062340114 /nfs/dbraw/zinc/34/01/14/1062340114.db2.gz HXUPFBYMOHDBEZ-NRFANRHFSA-N 1 1 474.675 2.988 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001294752746 1062341503 /nfs/dbraw/zinc/34/15/03/1062341503.db2.gz AKIIVUZHGGOZLF-KRWDZBQOSA-N 1 1 453.513 2.901 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOCC1 ZINC001294754127 1062343616 /nfs/dbraw/zinc/34/36/16/1062343616.db2.gz BPNMSHJHPQYWGM-IBGZPJMESA-N 1 1 462.589 2.790 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294754731 1062344390 /nfs/dbraw/zinc/34/43/90/1062344390.db2.gz IETMLAIORKXADM-IRXDYDNUSA-N 1 1 467.586 2.645 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001294755569 1062345322 /nfs/dbraw/zinc/34/53/22/1062345322.db2.gz PDULJOSYMHFJNL-MHORFTMASA-N 1 1 459.607 2.782 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294756022 1062346187 /nfs/dbraw/zinc/34/61/87/1062346187.db2.gz WHGFFHFDZKDWKF-UUOWRZLLSA-N 1 1 459.639 2.556 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294757437 1062347929 /nfs/dbraw/zinc/34/79/29/1062347929.db2.gz LRIZJXLVSWLVEJ-RBUKOAKNSA-N 1 1 451.662 2.818 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294757888 1062348251 /nfs/dbraw/zinc/34/82/51/1062348251.db2.gz QHJXRBMUKGBKDF-PMACEKPBSA-N 1 1 462.639 2.835 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290547438 1062348203 /nfs/dbraw/zinc/34/82/03/1062348203.db2.gz MILKLINXUHRVLC-HTAPYJJXSA-N 1 1 464.618 2.736 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294758039 1062348757 /nfs/dbraw/zinc/34/87/57/1062348757.db2.gz RJVJSXSEUMLUSV-YADHBBJMSA-N 1 1 453.635 2.879 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001294758268 1062348805 /nfs/dbraw/zinc/34/88/05/1062348805.db2.gz UUTJIVOTEZLVQC-QFIPXVFZSA-N 1 1 464.618 2.749 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O ZINC001294763572 1062352278 /nfs/dbraw/zinc/35/22/78/1062352278.db2.gz FNEKINFDZRAIGN-IPMKNSEASA-N 1 1 455.669 2.552 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CCOc2ccccc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290550028 1062353454 /nfs/dbraw/zinc/35/34/54/1062353454.db2.gz NEAKBJXSQLFEJG-UHFFFAOYSA-N 1 1 481.645 2.997 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294765885 1062356987 /nfs/dbraw/zinc/35/69/87/1062356987.db2.gz ZAZLFBHSCGRAQG-MTQWCTHYSA-N 1 1 467.680 2.694 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294765886 1062357130 /nfs/dbraw/zinc/35/71/30/1062357130.db2.gz ZAZLFBHSCGRAQG-VNTMZGSJSA-N 1 1 467.680 2.694 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C3CC3)n2CC(F)(F)Br)CC1 ZINC001290563227 1062365826 /nfs/dbraw/zinc/36/58/26/1062365826.db2.gz LBRVBTZNDZGQJA-UHFFFAOYSA-N 1 1 458.355 2.816 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C3CCCC3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001290564940 1062367398 /nfs/dbraw/zinc/36/73/98/1062367398.db2.gz SRTJSDRMZSTHNS-UHFFFAOYSA-N 1 1 470.666 2.771 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121889 1062369390 /nfs/dbraw/zinc/36/93/90/1062369390.db2.gz JLMFTQYEEBTCKA-NHCUHLMSSA-N 1 1 489.709 2.507 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001290566468 1062369393 /nfs/dbraw/zinc/36/93/93/1062369393.db2.gz YIVUJBXWMVKVNQ-UHFFFAOYSA-N 1 1 493.582 2.830 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001287122780 1062374656 /nfs/dbraw/zinc/37/46/56/1062374656.db2.gz CGKFMALMFJYGOG-NRFANRHFSA-N 1 1 489.709 2.550 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287122831 1062375066 /nfs/dbraw/zinc/37/50/66/1062375066.db2.gz XOYHJWBYOQURDN-SFTDATJTSA-N 1 1 462.683 2.801 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287123368 1062377185 /nfs/dbraw/zinc/37/71/85/1062377185.db2.gz ARSVRAVYKVGSHK-FQEVSTJZSA-N 1 1 462.683 2.966 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287123368 1062377209 /nfs/dbraw/zinc/37/72/09/1062377209.db2.gz ARSVRAVYKVGSHK-FQEVSTJZSA-N 1 1 462.683 2.966 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001287125063 1062385214 /nfs/dbraw/zinc/38/52/14/1062385214.db2.gz ZLFNJXRKMRTTNT-HXUWFJFHSA-N 1 1 472.609 2.794 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001294780910 1062385345 /nfs/dbraw/zinc/38/53/45/1062385345.db2.gz OSSUQGSZKDMSNK-NFBKMPQASA-N 1 1 495.672 2.606 20 0 JFADMO O=Cc1cccc(OCc2ccccc2C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC001290588722 1062399170 /nfs/dbraw/zinc/39/91/70/1062399170.db2.gz GXNJKSACHJMXEV-UHFFFAOYSA-N 1 1 459.550 2.810 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294790549 1062401360 /nfs/dbraw/zinc/40/13/60/1062401360.db2.gz RCULLYDGRPQITP-LEWJYISDSA-N 1 1 472.634 2.946 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294790949 1062406071 /nfs/dbraw/zinc/40/60/71/1062406071.db2.gz KCXJVJJWFABDQZ-OAQYLSRUSA-N 1 1 484.645 2.807 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294790949 1062406082 /nfs/dbraw/zinc/40/60/82/1062406082.db2.gz KCXJVJJWFABDQZ-OAQYLSRUSA-N 1 1 484.645 2.807 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294791944 1062411246 /nfs/dbraw/zinc/41/12/46/1062411246.db2.gz PYGXGVXGYWWODN-NRFANRHFSA-N 1 1 454.619 2.799 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294791944 1062411255 /nfs/dbraw/zinc/41/12/55/1062411255.db2.gz PYGXGVXGYWWODN-NRFANRHFSA-N 1 1 454.619 2.799 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001290594413 1062415946 /nfs/dbraw/zinc/41/59/46/1062415946.db2.gz SWXRJAIHNYQUCM-UHFFFAOYSA-N 1 1 465.650 2.839 20 0 JFADMO CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001287134916 1062454475 /nfs/dbraw/zinc/45/44/75/1062454475.db2.gz XNYKCOOTWZSOQC-UHFFFAOYSA-N 1 1 495.672 2.635 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2CCCCS2)n1 ZINC001290612165 1062456017 /nfs/dbraw/zinc/45/60/17/1062456017.db2.gz DHIIRMVAVIHYOF-HXUWFJFHSA-N 1 1 461.680 2.972 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2CCCCS2)n1 ZINC001290612165 1062456028 /nfs/dbraw/zinc/45/60/28/1062456028.db2.gz DHIIRMVAVIHYOF-HXUWFJFHSA-N 1 1 461.680 2.972 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290613008 1062460814 /nfs/dbraw/zinc/46/08/14/1062460814.db2.gz ZMYKNPWARZUVIW-OAQYLSRUSA-N 1 1 461.655 2.748 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287136543 1062469349 /nfs/dbraw/zinc/46/93/49/1062469349.db2.gz ZJCUDDQVXHJUGB-KDURUIRLSA-N 1 1 467.618 2.744 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287136543 1062469366 /nfs/dbraw/zinc/46/93/66/1062469366.db2.gz ZJCUDDQVXHJUGB-KDURUIRLSA-N 1 1 467.618 2.744 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001290619032 1062478032 /nfs/dbraw/zinc/47/80/32/1062478032.db2.gz YQECRYAJEUPOPV-NQIIRXRSSA-N 1 1 485.036 2.763 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290624606 1062490360 /nfs/dbraw/zinc/49/03/60/1062490360.db2.gz CVECDNFYLQFZOI-XZOQPEGZSA-N 1 1 484.693 2.955 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001294815225 1062494363 /nfs/dbraw/zinc/49/43/63/1062494363.db2.gz JPMCQMHPCKVUQF-QHCPKHFHSA-N 1 1 454.619 2.620 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001290626013 1062497318 /nfs/dbraw/zinc/49/73/18/1062497318.db2.gz RUKDTWKEKRTQRO-SFHVURJKSA-N 1 1 455.529 2.641 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001290625875 1062497351 /nfs/dbraw/zinc/49/73/51/1062497351.db2.gz QPTSNVDZUSDOGT-QFIPXVFZSA-N 1 1 491.706 2.521 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294822432 1062506529 /nfs/dbraw/zinc/50/65/29/1062506529.db2.gz LVYPPYNENFIJSZ-FQEVSTJZSA-N 1 1 454.619 2.717 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294822432 1062506548 /nfs/dbraw/zinc/50/65/48/1062506548.db2.gz LVYPPYNENFIJSZ-FQEVSTJZSA-N 1 1 454.619 2.717 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001290633309 1062511261 /nfs/dbraw/zinc/51/12/61/1062511261.db2.gz QOFMFEBUJMDICK-VQIMIIECSA-N 1 1 451.566 2.590 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001294827729 1062513512 /nfs/dbraw/zinc/51/35/12/1062513512.db2.gz FMAWOMZAFIGJDX-JOCHJYFZSA-N 1 1 470.618 2.873 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294828197 1062514570 /nfs/dbraw/zinc/51/45/70/1062514570.db2.gz KVXUMUGCRAPDGC-RUZDIDTESA-N 1 1 492.734 2.817 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290640122 1062526131 /nfs/dbraw/zinc/52/61/31/1062526131.db2.gz IRHBLWQFPAPCEN-IBGZPJMESA-N 1 1 470.588 2.943 20 0 JFADMO CCCNC(=O)CCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001294837790 1062527898 /nfs/dbraw/zinc/52/78/98/1062527898.db2.gz ILZGITUDZIOCNS-LJQANCHMSA-N 1 1 470.618 2.801 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287153087 1062529503 /nfs/dbraw/zinc/52/95/03/1062529503.db2.gz MBSWJROGYCZVAU-IQGLISFBSA-N 1 1 472.609 2.528 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCc2nc(C)no2)n1 ZINC001290641622 1062530518 /nfs/dbraw/zinc/53/05/18/1062530518.db2.gz YPTGXUXKKGYGQN-UHFFFAOYSA-N 1 1 455.611 2.775 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001290642099 1062532135 /nfs/dbraw/zinc/53/21/35/1062532135.db2.gz VNDJWQQVRRFWCR-SIKLNZKXSA-N 1 1 470.666 2.565 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C4CCCCC4)CC3)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001290645193 1062534342 /nfs/dbraw/zinc/53/43/42/1062534342.db2.gz FAIUOFDZAUTTLX-UHFFFAOYSA-N 1 1 491.706 2.808 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001290650135 1062549207 /nfs/dbraw/zinc/54/92/07/1062549207.db2.gz XMSRIVPJCZAKQN-YADHBBJMSA-N 1 1 473.666 2.628 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158345 1062550956 /nfs/dbraw/zinc/55/09/56/1062550956.db2.gz CKBJNXIEYWTYKF-NJYVYQBISA-N 1 1 492.665 2.632 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001290653500 1062551810 /nfs/dbraw/zinc/55/18/10/1062551810.db2.gz RHTVRLLIOGYGNZ-VQIMIIECSA-N 1 1 482.599 2.800 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001290653500 1062551823 /nfs/dbraw/zinc/55/18/23/1062551823.db2.gz RHTVRLLIOGYGNZ-VQIMIIECSA-N 1 1 482.599 2.800 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001290653500 1062551843 /nfs/dbraw/zinc/55/18/43/1062551843.db2.gz RHTVRLLIOGYGNZ-VQIMIIECSA-N 1 1 482.599 2.800 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290654649 1062554676 /nfs/dbraw/zinc/55/46/76/1062554676.db2.gz RGHUIZAKPJYOKM-PWRODBHTSA-N 1 1 461.680 2.827 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001287159511 1062556143 /nfs/dbraw/zinc/55/61/43/1062556143.db2.gz BRORBHDDHOQGLY-OAQYLSRUSA-N 1 1 480.579 2.752 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294856608 1062556504 /nfs/dbraw/zinc/55/65/04/1062556504.db2.gz IITSELDBVCJXCI-GHTZIAJQSA-N 1 1 475.037 2.596 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287161263 1062562105 /nfs/dbraw/zinc/56/21/05/1062562105.db2.gz WZXODCLWYGGVEU-RTBURBONSA-N 1 1 486.583 2.797 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC001287162628 1062565372 /nfs/dbraw/zinc/56/53/72/1062565372.db2.gz NQQPMINYYAZBAC-PMACEKPBSA-N 1 1 492.571 2.824 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CCO2)n1 ZINC001290660734 1062567497 /nfs/dbraw/zinc/56/74/97/1062567497.db2.gz OCMHRCDWTYHGIY-FGZHOGPDSA-N 1 1 473.666 2.531 20 0 JFADMO CCCNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001294862942 1062569929 /nfs/dbraw/zinc/56/99/29/1062569929.db2.gz YVNKEYGYCYCFRI-OAQYLSRUSA-N 1 1 484.645 2.728 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287163498 1062569931 /nfs/dbraw/zinc/56/99/31/1062569931.db2.gz DXNKGNISWXLCKO-RTBURBONSA-N 1 1 474.572 2.561 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001294863049 1062570776 /nfs/dbraw/zinc/57/07/76/1062570776.db2.gz INAMRNWVNUDVSP-GOSISDBHSA-N 1 1 460.648 2.536 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001287164128 1062573414 /nfs/dbraw/zinc/57/34/14/1062573414.db2.gz YYUPXZWBFKWCTH-DEOSSOPVSA-N 1 1 497.688 2.704 20 0 JFADMO CCCNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294869073 1062573618 /nfs/dbraw/zinc/57/36/18/1062573618.db2.gz CGTLFYLSBHFDCH-IFMALSPDSA-N 1 1 486.686 2.952 20 0 JFADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)[NH+]1CCOCC1 ZINC001287164511 1062573776 /nfs/dbraw/zinc/57/37/76/1062573776.db2.gz WGQKOCXKCJFKFC-QFIPXVFZSA-N 1 1 460.667 2.850 20 0 JFADMO CC(C)[C@@H](Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287165635 1062576224 /nfs/dbraw/zinc/57/62/24/1062576224.db2.gz TZDQJYSPSCAOHG-LJQANCHMSA-N 1 1 463.671 2.563 20 0 JFADMO CCCNC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294873633 1062583486 /nfs/dbraw/zinc/58/34/86/1062583486.db2.gz YHOSLDKCGKQNDK-OALUTQOASA-N 1 1 477.654 2.797 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCC2)cn1 ZINC001287173178 1062595012 /nfs/dbraw/zinc/59/50/12/1062595012.db2.gz HULYDZNAXIMWPQ-LJQANCHMSA-N 1 1 475.663 2.604 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287174580 1062598309 /nfs/dbraw/zinc/59/83/09/1062598309.db2.gz IQSTXMSRISECGM-RTBURBONSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001287175602 1062599812 /nfs/dbraw/zinc/59/98/12/1062599812.db2.gz WYUIYICJQXGWCY-PMACEKPBSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001287175602 1062599835 /nfs/dbraw/zinc/59/98/35/1062599835.db2.gz WYUIYICJQXGWCY-PMACEKPBSA-N 1 1 489.690 2.850 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001294885032 1062599994 /nfs/dbraw/zinc/59/99/94/1062599994.db2.gz YWPHIMUNLZLXEU-GOSISDBHSA-N 1 1 461.408 2.908 20 0 JFADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001287179397 1062603419 /nfs/dbraw/zinc/60/34/19/1062603419.db2.gz QTBSUSRQFDWDEF-JOCHJYFZSA-N 1 1 474.675 2.926 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294889004 1062613107 /nfs/dbraw/zinc/61/31/07/1062613107.db2.gz RPIVLSFMBLCLIY-KDURUIRLSA-N 1 1 465.602 2.565 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294889004 1062613116 /nfs/dbraw/zinc/61/31/16/1062613116.db2.gz RPIVLSFMBLCLIY-KDURUIRLSA-N 1 1 465.602 2.565 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC001290693244 1062618284 /nfs/dbraw/zinc/61/82/84/1062618284.db2.gz YAVHJTOWADEFAP-SJLPKXTDSA-N 1 1 460.652 2.715 20 0 JFADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001287200877 1062640548 /nfs/dbraw/zinc/64/05/48/1062640548.db2.gz JAWJOBICAGYCSU-UHFFFAOYSA-N 1 1 453.635 2.544 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)Nc1ccccc1 ZINC001290737476 1062658866 /nfs/dbraw/zinc/65/88/66/1062658866.db2.gz LJXUDLGZNGFLAK-WMZHIEFXSA-N 1 1 450.591 2.868 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001287213212 1062670465 /nfs/dbraw/zinc/67/04/65/1062670465.db2.gz ZASLVQKYJAMPJS-OALUTQOASA-N 1 1 457.627 2.588 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001294914865 1062672600 /nfs/dbraw/zinc/67/26/00/1062672600.db2.gz XPVXFAUSFAMZGN-FUHWJXTLSA-N 1 1 491.434 2.819 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001287213738 1062672797 /nfs/dbraw/zinc/67/27/97/1062672797.db2.gz JRDGFLHNCOBESR-UHFFFAOYSA-N 1 1 456.639 2.686 20 0 JFADMO Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001290763041 1062678453 /nfs/dbraw/zinc/67/84/53/1062678453.db2.gz OXMMCIVHYODWPY-LJQANCHMSA-N 1 1 452.525 2.980 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214668 1062680709 /nfs/dbraw/zinc/68/07/09/1062680709.db2.gz PBHFMDTVWFQFDP-IRLDBZIGSA-N 1 1 453.635 2.669 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287215205 1062683919 /nfs/dbraw/zinc/68/39/19/1062683919.db2.gz WXMVXPOFJPMJSD-HSZRJFAPSA-N 1 1 468.646 2.650 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001294923415 1062691386 /nfs/dbraw/zinc/69/13/86/1062691386.db2.gz IWEUHOUHCSONAY-NRFANRHFSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294923415 1062691393 /nfs/dbraw/zinc/69/13/93/1062691393.db2.gz IWEUHOUHCSONAY-NRFANRHFSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294923415 1062691403 /nfs/dbraw/zinc/69/14/03/1062691403.db2.gz IWEUHOUHCSONAY-NRFANRHFSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001294924646 1062694374 /nfs/dbraw/zinc/69/43/74/1062694374.db2.gz KBXPDIBVYUGQFQ-QZTJIDSGSA-N 1 1 470.618 2.892 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CCC(=O)NC(C)(C)C ZINC001287218636 1062700054 /nfs/dbraw/zinc/70/00/54/1062700054.db2.gz DMPBDMYFRBFAHN-UHFFFAOYSA-N 1 1 470.618 2.800 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928122 1062702358 /nfs/dbraw/zinc/70/23/58/1062702358.db2.gz XDHQUBPRDHFTKN-WIYYLYMNSA-N 1 1 470.618 2.942 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287222416 1062708350 /nfs/dbraw/zinc/70/83/50/1062708350.db2.gz DJYROHAUTGCCSN-UHFFFAOYSA-N 1 1 475.659 2.565 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCNc1ccccn1 ZINC001287223573 1062710135 /nfs/dbraw/zinc/71/01/35/1062710135.db2.gz NLORSWGJJBUDAT-QFIPXVFZSA-N 1 1 470.666 2.530 20 0 JFADMO Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290818360 1062713978 /nfs/dbraw/zinc/71/39/78/1062713978.db2.gz CVIWKDXHEOMRQE-KRWDZBQOSA-N 1 1 461.998 2.601 20 0 JFADMO Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290818360 1062714000 /nfs/dbraw/zinc/71/40/00/1062714000.db2.gz CVIWKDXHEOMRQE-KRWDZBQOSA-N 1 1 461.998 2.601 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819213 1062714675 /nfs/dbraw/zinc/71/46/75/1062714675.db2.gz CWUZEUNSESDFMM-XXBNENTESA-N 1 1 456.537 2.813 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819213 1062714691 /nfs/dbraw/zinc/71/46/91/1062714691.db2.gz CWUZEUNSESDFMM-XXBNENTESA-N 1 1 456.537 2.813 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819213 1062714707 /nfs/dbraw/zinc/71/47/07/1062714707.db2.gz CWUZEUNSESDFMM-XXBNENTESA-N 1 1 456.537 2.813 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287228879 1062716541 /nfs/dbraw/zinc/71/65/41/1062716541.db2.gz CRYVZOYQMPPAAI-FDDCHVKYSA-N 1 1 480.679 2.713 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001294939419 1062719326 /nfs/dbraw/zinc/71/93/26/1062719326.db2.gz RNMROPKFKYJEHD-IBGZPJMESA-N 1 1 470.618 2.753 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001290826392 1062719551 /nfs/dbraw/zinc/71/95/51/1062719551.db2.gz SDNAQRUPNJECAK-FQEVSTJZSA-N 1 1 451.011 2.973 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001290826392 1062719563 /nfs/dbraw/zinc/71/95/63/1062719563.db2.gz SDNAQRUPNJECAK-FQEVSTJZSA-N 1 1 451.011 2.973 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001290826393 1062719694 /nfs/dbraw/zinc/71/96/94/1062719694.db2.gz SDNAQRUPNJECAK-HXUWFJFHSA-N 1 1 451.011 2.973 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001290826393 1062719712 /nfs/dbraw/zinc/71/97/12/1062719712.db2.gz SDNAQRUPNJECAK-HXUWFJFHSA-N 1 1 451.011 2.973 20 0 JFADMO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290827535 1062720308 /nfs/dbraw/zinc/72/03/08/1062720308.db2.gz FUKMIVVHKZUJNT-HSZRJFAPSA-N 1 1 467.662 2.507 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290828224 1062722380 /nfs/dbraw/zinc/72/23/80/1062722380.db2.gz JNSBVQDUTCEYPD-GMAHTHKFSA-N 1 1 454.619 2.590 20 0 JFADMO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290828222 1062722493 /nfs/dbraw/zinc/72/24/93/1062722493.db2.gz JNSBVQDUTCEYPD-GGAORHGYSA-N 1 1 454.619 2.590 20 0 JFADMO Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290829095 1062723042 /nfs/dbraw/zinc/72/30/42/1062723042.db2.gz QVEYQHBACGURCX-DNQXCXABSA-N 1 1 468.646 2.866 20 0 JFADMO Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001290832005 1062724125 /nfs/dbraw/zinc/72/41/25/1062724125.db2.gz JWAZXLXGMTVKSY-XZOQPEGZSA-N 1 1 468.646 2.723 20 0 JFADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001290833021 1062725511 /nfs/dbraw/zinc/72/55/11/1062725511.db2.gz IAWHBDRIBOJXIO-VQTJNVASSA-N 1 1 453.509 2.749 20 0 JFADMO Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001290841993 1062731273 /nfs/dbraw/zinc/73/12/73/1062731273.db2.gz IRBUYWWDWDNYOF-HXUWFJFHSA-N 1 1 472.609 2.508 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001290856393 1062740047 /nfs/dbraw/zinc/74/00/47/1062740047.db2.gz DBRNFMANNSZFSZ-LJQANCHMSA-N 1 1 470.618 2.913 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001290867646 1062750300 /nfs/dbraw/zinc/75/03/00/1062750300.db2.gz QGRCQTVMIKAUIN-DNVJHFABSA-N 1 1 473.710 2.725 20 0 JFADMO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cn1 ZINC001294969384 1062751613 /nfs/dbraw/zinc/75/16/13/1062751613.db2.gz UYZBXZXRPSCTDE-MOPGFXCFSA-N 1 1 455.607 2.552 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001290869117 1062752059 /nfs/dbraw/zinc/75/20/59/1062752059.db2.gz CLYUWCOWGDYGOS-XERBYJISSA-N 1 1 473.710 2.916 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001290869116 1062752255 /nfs/dbraw/zinc/75/22/55/1062752255.db2.gz CLYUWCOWGDYGOS-MHIUNMELSA-N 1 1 473.710 2.916 20 0 JFADMO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC001294969644 1062752287 /nfs/dbraw/zinc/75/22/87/1062752287.db2.gz XVCGFDPDAUQGSN-HXUWFJFHSA-N 1 1 452.607 2.902 20 0 JFADMO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC001294969643 1062752434 /nfs/dbraw/zinc/75/24/34/1062752434.db2.gz XVCGFDPDAUQGSN-FQEVSTJZSA-N 1 1 452.607 2.902 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877317 1062762723 /nfs/dbraw/zinc/76/27/23/1062762723.db2.gz UDYUHTPCVJXQMP-OAQYLSRUSA-N 1 1 482.551 2.765 20 0 JFADMO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001290879793 1062764121 /nfs/dbraw/zinc/76/41/21/1062764121.db2.gz ZIOFDYRTRXWQAI-UHFFFAOYSA-N 1 1 474.675 2.893 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290887567 1062766895 /nfs/dbraw/zinc/76/68/95/1062766895.db2.gz FYSCZKBQYOTWGG-FXAWDEMLSA-N 1 1 464.408 2.774 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H](OC3CCOCC3)c3ccccc3)cc2)CC1 ZINC001290908158 1062782898 /nfs/dbraw/zinc/78/28/98/1062782898.db2.gz IYSQEDDTPSJGAZ-DEOSSOPVSA-N 1 1 451.567 2.627 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287310143 1062783088 /nfs/dbraw/zinc/78/30/88/1062783088.db2.gz WSTRHNZOIKLBPZ-REWPJTCUSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287310143 1062783109 /nfs/dbraw/zinc/78/31/09/1062783109.db2.gz WSTRHNZOIKLBPZ-REWPJTCUSA-N 1 1 456.635 2.872 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001295001414 1062786713 /nfs/dbraw/zinc/78/67/13/1062786713.db2.gz ABCZALMTAQVMTP-PMACEKPBSA-N 1 1 455.669 2.696 20 0 JFADMO CN1CC[NH+](Cc2ccc(CNC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC001290916448 1062791207 /nfs/dbraw/zinc/79/12/07/1062791207.db2.gz PBSNOUSFQGCQKH-UHFFFAOYSA-N 1 1 450.583 2.794 20 0 JFADMO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001290917698 1062793037 /nfs/dbraw/zinc/79/30/37/1062793037.db2.gz IFSZBQICDHCVSP-QFIPXVFZSA-N 1 1 473.666 2.555 20 0 JFADMO Cc1noc(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290921463 1062797192 /nfs/dbraw/zinc/79/71/92/1062797192.db2.gz CTCQNAAFJDIHGQ-UHFFFAOYSA-N 1 1 451.575 2.887 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014119 1062802157 /nfs/dbraw/zinc/80/21/57/1062802157.db2.gz IVDWDOVMZNFYDF-MOPGFXCFSA-N 1 1 454.685 2.822 20 0 JFADMO Cc1noc(C)c1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290931032 1062806379 /nfs/dbraw/zinc/80/63/79/1062806379.db2.gz GFQDEKLHRZZABB-UHFFFAOYSA-N 1 1 487.630 2.622 20 0 JFADMO Cc1noc(C)c1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290931032 1062806403 /nfs/dbraw/zinc/80/64/03/1062806403.db2.gz GFQDEKLHRZZABB-UHFFFAOYSA-N 1 1 487.630 2.622 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295015486 1062809298 /nfs/dbraw/zinc/80/92/98/1062809298.db2.gz VJIMFFRPOOQLAR-FQEVSTJZSA-N 1 1 496.722 2.592 20 0 JFADMO CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)C)CC1)[NH+](C)C ZINC001287332794 1062810121 /nfs/dbraw/zinc/81/01/21/1062810121.db2.gz RVSRJBCJOAZABR-FQEVSTJZSA-N 1 1 490.722 2.745 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001295015729 1062810743 /nfs/dbraw/zinc/81/07/43/1062810743.db2.gz ZWLAJXBILQQGGG-JOCHJYFZSA-N 1 1 489.690 2.903 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001295017363 1062814716 /nfs/dbraw/zinc/81/47/16/1062814716.db2.gz LGZXJUWYRXUKAO-UHFFFAOYSA-N 1 1 462.664 2.773 20 0 JFADMO CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001287338741 1062816063 /nfs/dbraw/zinc/81/60/63/1062816063.db2.gz NBZBPRVQGZPEFO-ARMFNRFLSA-N 1 1 497.732 2.826 20 0 JFADMO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C2)n1 ZINC001290943789 1062817258 /nfs/dbraw/zinc/81/72/58/1062817258.db2.gz LTDHTKFQULABBW-SFHVURJKSA-N 1 1 458.611 2.614 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001295018335 1062818022 /nfs/dbraw/zinc/81/80/22/1062818022.db2.gz WLJQFRHVWVVLAH-NRFANRHFSA-N 1 1 491.706 2.846 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287351901 1062823888 /nfs/dbraw/zinc/82/38/88/1062823888.db2.gz KUEGXYGTJGGLAN-FCHUYYIVSA-N 1 1 474.675 2.611 20 0 JFADMO COc1cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC001290961360 1062837902 /nfs/dbraw/zinc/83/79/02/1062837902.db2.gz NQWHLDSWTLDSST-GASCZTMLSA-N 1 1 451.614 2.812 20 0 JFADMO Cc1nsc(N2CCCN(c3nnc(C(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2)n1 ZINC001290973235 1062851875 /nfs/dbraw/zinc/85/18/75/1062851875.db2.gz VILJDHZTCQPIFV-LJQANCHMSA-N 1 1 462.668 2.515 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001287417584 1062855031 /nfs/dbraw/zinc/85/50/31/1062855031.db2.gz BBAFVHWVYWYYTM-SMIHKQSGSA-N 1 1 475.726 2.581 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001287417587 1062855138 /nfs/dbraw/zinc/85/51/38/1062855138.db2.gz BBAFVHWVYWYYTM-TZRRMPRUSA-N 1 1 475.726 2.581 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001290976961 1062859152 /nfs/dbraw/zinc/85/91/52/1062859152.db2.gz WNBPOHUITAVBIX-INIZCTEOSA-N 1 1 471.968 2.932 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001295057470 1062864105 /nfs/dbraw/zinc/86/41/05/1062864105.db2.gz BSVCGGLICSZWEX-QAPCUYQASA-N 1 1 461.408 2.859 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001295057463 1062864168 /nfs/dbraw/zinc/86/41/68/1062864168.db2.gz BSVCGGLICSZWEX-CRAIPNDOSA-N 1 1 461.408 2.859 20 0 JFADMO CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287426302 1062864411 /nfs/dbraw/zinc/86/44/11/1062864411.db2.gz VFSMSMMHRAIOSJ-IBGZPJMESA-N 1 1 460.598 2.905 20 0 JFADMO CC(C)Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001287427089 1062865630 /nfs/dbraw/zinc/86/56/30/1062865630.db2.gz FYKPABKYFLWZKJ-LJQANCHMSA-N 1 1 459.639 2.509 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC001295061862 1062874187 /nfs/dbraw/zinc/87/41/87/1062874187.db2.gz VILZEXBTBKEZGY-DEOSSOPVSA-N 1 1 450.583 2.803 20 0 JFADMO Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC001295061862 1062874204 /nfs/dbraw/zinc/87/42/04/1062874204.db2.gz VILZEXBTBKEZGY-DEOSSOPVSA-N 1 1 450.583 2.803 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001287442101 1062874742 /nfs/dbraw/zinc/87/47/42/1062874742.db2.gz CMWIBHMOEQGEPQ-LEWJYISDSA-N 1 1 468.712 2.705 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990183 1062882155 /nfs/dbraw/zinc/88/21/55/1062882155.db2.gz RFJBODQSAIOUHO-OTWHNJEPSA-N 1 1 471.654 2.643 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001287449065 1062885648 /nfs/dbraw/zinc/88/56/48/1062885648.db2.gz ZCBCHOHGMCJWOU-FCHUYYIVSA-N 1 1 480.723 2.993 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001287453529 1062888295 /nfs/dbraw/zinc/88/82/95/1062888295.db2.gz FZJHZRJUVUBCMC-DEOSSOPVSA-N 1 1 475.037 2.549 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290998283 1062891493 /nfs/dbraw/zinc/89/14/93/1062891493.db2.gz OSJCCQJZMXIKNN-OTWHNJEPSA-N 1 1 464.680 2.909 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001290999204 1062893840 /nfs/dbraw/zinc/89/38/40/1062893840.db2.gz JLIMMZHMFJMWAJ-SXGZJXTBSA-N 1 1 451.413 2.595 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291000036 1062895361 /nfs/dbraw/zinc/89/53/61/1062895361.db2.gz MGMNSSBZXYSTCM-SVFBPWRDSA-N 1 1 496.722 2.746 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000294 1062895445 /nfs/dbraw/zinc/89/54/45/1062895445.db2.gz VOFGOQNYCBPZQJ-FIRLOTFOSA-N 1 1 496.722 2.649 20 0 JFADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291002501 1062899816 /nfs/dbraw/zinc/89/98/16/1062899816.db2.gz VMINUOSMSZRGNO-UXGLMHHASA-N 1 1 490.693 2.744 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287462288 1062901700 /nfs/dbraw/zinc/90/17/00/1062901700.db2.gz MHMWCMDUMJQUHF-HSZRJFAPSA-N 1 1 484.645 2.501 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287462289 1062901804 /nfs/dbraw/zinc/90/18/04/1062901804.db2.gz MHMWCMDUMJQUHF-QHCPKHFHSA-N 1 1 484.645 2.501 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462880 1062903013 /nfs/dbraw/zinc/90/30/13/1062903013.db2.gz UDZGBHUBVPNJJD-NRFANRHFSA-N 1 1 460.573 2.740 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287462572 1062903098 /nfs/dbraw/zinc/90/30/98/1062903098.db2.gz PDYMLUIMLVMKAC-UHFFFAOYSA-N 1 1 454.619 2.550 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287462572 1062903122 /nfs/dbraw/zinc/90/31/22/1062903122.db2.gz PDYMLUIMLVMKAC-UHFFFAOYSA-N 1 1 454.619 2.550 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462909 1062904672 /nfs/dbraw/zinc/90/46/72/1062904672.db2.gz VAYXGTBREFGMHD-SQJMNOBHSA-N 1 1 489.064 2.781 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009430 1062907293 /nfs/dbraw/zinc/90/72/93/1062907293.db2.gz FYMXJKSJISQMIF-QHAWAJNXSA-N 1 1 496.722 2.796 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009707 1062907682 /nfs/dbraw/zinc/90/76/82/1062907682.db2.gz JPJBIXLFTLWBKU-YZIHRLCOSA-N 1 1 490.693 2.949 20 0 JFADMO COC(=O)C1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)(C(=O)OC)CC1 ZINC001295081242 1062913310 /nfs/dbraw/zinc/91/33/10/1062913310.db2.gz BFJUCBVMCTXZQN-DKTYTTGXSA-N 1 1 452.498 2.535 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291012185 1062915532 /nfs/dbraw/zinc/91/55/32/1062915532.db2.gz VKGNAFKPPSBBFI-BGYRXZFFSA-N 1 1 466.696 2.775 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287469809 1062917307 /nfs/dbraw/zinc/91/73/07/1062917307.db2.gz VMTSOLYFOKQXRX-MHECFPHRSA-N 1 1 462.589 2.705 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012707 1062918092 /nfs/dbraw/zinc/91/80/92/1062918092.db2.gz DBUNVAOHHIBJCK-YRPNKDGESA-N 1 1 489.665 2.701 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013140 1062918778 /nfs/dbraw/zinc/91/87/78/1062918778.db2.gz JPASYQQZQVQULV-LNRXMEIDSA-N 1 1 481.707 2.944 20 0 JFADMO CCN(C)C(=O)Cn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085484 1062922392 /nfs/dbraw/zinc/92/23/92/1062922392.db2.gz XVCDXMSTSGSRPY-ATIYNZHBSA-N 1 1 484.645 2.508 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001291014773 1062923792 /nfs/dbraw/zinc/92/37/92/1062923792.db2.gz HYRQSMYRTWTWQS-OYRHEFFESA-N 1 1 468.646 2.969 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291015165 1062924894 /nfs/dbraw/zinc/92/48/94/1062924894.db2.gz NDSNKSMISZUPFB-HSALFYBXSA-N 1 1 493.649 2.988 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287482427 1062939001 /nfs/dbraw/zinc/93/90/01/1062939001.db2.gz TZCOGYNJZZQTEI-DEOSSOPVSA-N 1 1 497.688 2.737 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001295126337 1062940996 /nfs/dbraw/zinc/94/09/96/1062940996.db2.gz FJOIWSROMKXVDE-OAQYLSRUSA-N 1 1 462.664 2.667 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001295126454 1062941884 /nfs/dbraw/zinc/94/18/84/1062941884.db2.gz HHPKYYFMKYPJHP-RPLLCQBOSA-N 1 1 498.672 2.924 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)c1 ZINC001295126373 1062941965 /nfs/dbraw/zinc/94/19/65/1062941965.db2.gz DZLKYNABPNCMDD-IBGZPJMESA-N 1 1 474.656 2.773 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)c1 ZINC001295126640 1062942730 /nfs/dbraw/zinc/94/27/30/1062942730.db2.gz HBWBBFOKKKJCLV-UIFIKXQLSA-N 1 1 460.648 2.767 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295126848 1062943775 /nfs/dbraw/zinc/94/37/75/1062943775.db2.gz IXFKFETWMOAHKY-QHCPKHFHSA-N 1 1 482.654 2.777 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287486849 1062944038 /nfs/dbraw/zinc/94/40/38/1062944038.db2.gz LRQNQACIEHMZPB-JTHBVZDNSA-N 1 1 488.702 2.511 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)c1 ZINC001295126942 1062944126 /nfs/dbraw/zinc/94/41/26/1062944126.db2.gz JZNGIGGGILRFME-RXVVDRJESA-N 1 1 486.642 2.975 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)c1 ZINC001295127534 1062946732 /nfs/dbraw/zinc/94/67/32/1062946732.db2.gz RWCDOHGIGPGTHM-UHFFFAOYSA-N 1 1 461.614 2.823 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C2CCC(NC(C)=O)CC2)c1 ZINC001295127911 1062946965 /nfs/dbraw/zinc/94/69/65/1062946965.db2.gz WNEGEMVCEKPWMZ-UHFFFAOYSA-N 1 1 495.672 2.784 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)c1 ZINC001295127833 1062947308 /nfs/dbraw/zinc/94/73/08/1062947308.db2.gz VTXYSODAFKIRJA-UHFFFAOYSA-N 1 1 454.619 2.877 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)c1 ZINC001295128149 1062948801 /nfs/dbraw/zinc/94/88/01/1062948801.db2.gz XZCFSMAXCMHSMX-RUZDIDTESA-N 1 1 492.672 2.944 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(=O)OC)C2)c1 ZINC001295128273 1062948859 /nfs/dbraw/zinc/94/88/59/1062948859.db2.gz ZIOSIGZBTJVYPO-FQEVSTJZSA-N 1 1 496.637 2.769 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287497219 1062950744 /nfs/dbraw/zinc/95/07/44/1062950744.db2.gz MYINVQANDMXEGT-LEWJYISDSA-N 1 1 494.681 2.707 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001287504852 1062953458 /nfs/dbraw/zinc/95/34/58/1062953458.db2.gz IDPHMDXDVRITHW-KDURUIRLSA-N 1 1 464.536 2.723 20 0 JFADMO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295152831 1062973355 /nfs/dbraw/zinc/97/33/55/1062973355.db2.gz SPFBHDASSZMGBN-IMSXRSKXSA-N 1 1 497.706 2.597 20 0 JFADMO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287544824 1062977448 /nfs/dbraw/zinc/97/74/48/1062977448.db2.gz QPEOOFVXOVNLAP-VUMQFKOGSA-N 1 1 476.710 2.964 20 0 JFADMO CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295169434 1062993219 /nfs/dbraw/zinc/99/32/19/1062993219.db2.gz GUIQAKJWVSKLHY-GOSISDBHSA-N 1 1 478.022 2.992 20 0 JFADMO CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287583453 1062995174 /nfs/dbraw/zinc/99/51/74/1062995174.db2.gz RYNVTVDBUWMCOM-YADHBBJMSA-N 1 1 454.619 2.717 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001295180975 1063003900 /nfs/dbraw/zinc/00/39/00/1063003900.db2.gz UHJJDIPQFXPKDG-FPOVZHCZSA-N 1 1 468.627 2.874 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180976 1063003968 /nfs/dbraw/zinc/00/39/68/1063003968.db2.gz UHJJDIPQFXPKDG-PZJWPPBQSA-N 1 1 468.627 2.874 20 0 JFADMO CCN(c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001295188780 1063011652 /nfs/dbraw/zinc/01/16/52/1063011652.db2.gz RXPZJQHEZDGNAT-IBGZPJMESA-N 1 1 460.579 2.558 20 0 JFADMO CCN(c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001295188780 1063011669 /nfs/dbraw/zinc/01/16/69/1063011669.db2.gz RXPZJQHEZDGNAT-IBGZPJMESA-N 1 1 460.579 2.558 20 0 JFADMO C[C@@H]1CCC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001291068190 1063015572 /nfs/dbraw/zinc/01/55/72/1063015572.db2.gz KNCSAXQAJNOPOT-IFMALSPDSA-N 1 1 459.683 2.803 20 0 JFADMO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295205061 1063021499 /nfs/dbraw/zinc/02/14/99/1063021499.db2.gz CXWHSGHJFLXALO-YPAWHYETSA-N 1 1 475.659 2.797 20 0 JFADMO C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001291073974 1063022201 /nfs/dbraw/zinc/02/22/01/1063022201.db2.gz JDHNELVODYMERW-BAGYTPMASA-N 1 1 496.722 2.890 20 0 JFADMO CC(C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287683297 1063037224 /nfs/dbraw/zinc/03/72/24/1063037224.db2.gz MWYZNDNZFFKNIN-JOCHJYFZSA-N 1 1 470.666 2.901 20 0 JFADMO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC001295220224 1063039765 /nfs/dbraw/zinc/03/97/65/1063039765.db2.gz VJORHETVJUDLOQ-CPJSRVTESA-N 1 1 492.665 2.812 20 0 JFADMO CCN(c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226248 1063046313 /nfs/dbraw/zinc/04/63/13/1063046313.db2.gz UCWVQLGFOFQCQL-UGKGYDQZSA-N 1 1 459.660 2.923 20 0 JFADMO CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287717199 1063048518 /nfs/dbraw/zinc/04/85/18/1063048518.db2.gz SKBTUDKVCGJJTN-LJQANCHMSA-N 1 1 462.545 2.945 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229552 1063052215 /nfs/dbraw/zinc/05/22/15/1063052215.db2.gz YRMWXCGYBSDZIC-YADHBBJMSA-N 1 1 474.675 2.645 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001287733291 1063055674 /nfs/dbraw/zinc/05/56/74/1063055674.db2.gz FZBXXZXLJJWUBR-QFIPXVFZSA-N 1 1 487.693 2.577 20 0 JFADMO C[C@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001291095787 1063055891 /nfs/dbraw/zinc/05/58/91/1063055891.db2.gz SMPZPKUSIJZJGK-YBJWPOLQSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C ZINC001291097774 1063061062 /nfs/dbraw/zinc/06/10/62/1063061062.db2.gz BNLHFAHSPMIPCO-IBGZPJMESA-N 1 1 456.639 2.817 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291097882 1063061214 /nfs/dbraw/zinc/06/12/14/1063061214.db2.gz DJAYOXIZGHAOOH-IBGZPJMESA-N 1 1 485.658 2.983 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001287738483 1063061573 /nfs/dbraw/zinc/06/15/73/1063061573.db2.gz OMDRHZCGUYNKEB-NHCUHLMSSA-N 1 1 468.650 2.844 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1 ZINC001291098492 1063062217 /nfs/dbraw/zinc/06/22/17/1063062217.db2.gz OWSVJHISCZAISE-INIZCTEOSA-N 1 1 461.408 2.908 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C ZINC001291098458 1063062527 /nfs/dbraw/zinc/06/25/27/1063062527.db2.gz OGVQTSROPZBXTN-MOPGFXCFSA-N 1 1 454.685 2.700 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738559 1063062405 /nfs/dbraw/zinc/06/24/05/1063062405.db2.gz PDHSOXZIADQBGC-WOJBJXKFSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291099232 1063064631 /nfs/dbraw/zinc/06/46/31/1063064631.db2.gz DGBCHFMPDBFOHR-MJGOQNOKSA-N 1 1 451.662 2.818 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740484 1063065717 /nfs/dbraw/zinc/06/57/17/1063065717.db2.gz WBIXTIWHATVDPZ-OALUTQOASA-N 1 1 492.665 2.958 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291099401 1063066175 /nfs/dbraw/zinc/06/61/75/1063066175.db2.gz GPOORTHJSLRJIE-LJQANCHMSA-N 1 1 492.665 2.791 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291099598 1063066908 /nfs/dbraw/zinc/06/69/08/1063066908.db2.gz KEPUWQUQEOHVNY-RBUKOAKNSA-N 1 1 458.582 2.962 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291101096 1063071240 /nfs/dbraw/zinc/07/12/40/1063071240.db2.gz NAWHAGFOHGPFBL-IBGZPJMESA-N 1 1 477.617 2.905 20 0 JFADMO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256676 1063073092 /nfs/dbraw/zinc/07/30/92/1063073092.db2.gz ORIHTFWFWOHIBQ-UYAOXDASSA-N 1 1 479.622 2.742 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291101732 1063073665 /nfs/dbraw/zinc/07/36/65/1063073665.db2.gz ACAHGUCMSIQIHH-FQEVSTJZSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102164 1063075261 /nfs/dbraw/zinc/07/52/61/1063075261.db2.gz INKVEDPQXJWRSY-IFMALSPDSA-N 1 1 489.686 2.690 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102296 1063076989 /nfs/dbraw/zinc/07/69/89/1063076989.db2.gz KSSJIWNBCAMXEB-BRWVUGGUSA-N 1 1 476.638 2.880 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102298 1063077162 /nfs/dbraw/zinc/07/71/62/1063077162.db2.gz KSSJIWNBCAMXEB-IXDOHACOSA-N 1 1 476.638 2.880 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001291102525 1063078116 /nfs/dbraw/zinc/07/81/16/1063078116.db2.gz OQPQDLIMSCKOPH-KURKYZTESA-N 1 1 485.599 2.813 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291102636 1063078418 /nfs/dbraw/zinc/07/84/18/1063078418.db2.gz QFOOQKRYXLMICJ-GOSISDBHSA-N 1 1 462.602 2.981 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103287 1063080048 /nfs/dbraw/zinc/08/00/48/1063080048.db2.gz BFNOQAFAMKUDBC-VAMGGRTRSA-N 1 1 470.618 2.813 20 0 JFADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291103951 1063082056 /nfs/dbraw/zinc/08/20/56/1063082056.db2.gz MSHUWHUFBUDUAC-XUVXKRRUSA-N 1 1 489.665 2.738 20 0 JFADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291104188 1063083073 /nfs/dbraw/zinc/08/30/73/1063083073.db2.gz QNTSSGJMUWFGQP-NJYVYQBISA-N 1 1 487.693 2.766 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001287758451 1063084126 /nfs/dbraw/zinc/08/41/26/1063084126.db2.gz BZRULEBXXHSLHB-LJQANCHMSA-N 1 1 475.037 2.750 20 0 JFADMO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291105250 1063086733 /nfs/dbraw/zinc/08/67/33/1063086733.db2.gz GXKHKZXWVDGHHP-HZPDHXFCSA-N 1 1 455.028 2.595 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105621 1063088071 /nfs/dbraw/zinc/08/80/71/1063088071.db2.gz LJASHYAFHAQZJI-WTGUMLROSA-N 1 1 489.665 2.795 20 0 JFADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105507 1063088114 /nfs/dbraw/zinc/08/81/14/1063088114.db2.gz JYJHFOMVXHXERG-QYZOEREBSA-N 1 1 460.648 2.571 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105747 1063088798 /nfs/dbraw/zinc/08/87/98/1063088798.db2.gz NEUZOOWOISTUAZ-SQNIBIBYSA-N 1 1 466.627 2.784 20 0 JFADMO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291105986 1063090111 /nfs/dbraw/zinc/09/01/11/1063090111.db2.gz QIKRQIOMRMRZFA-MSOLQXFVSA-N 1 1 474.631 2.797 20 0 JFADMO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291105987 1063090243 /nfs/dbraw/zinc/09/02/43/1063090243.db2.gz QIKRQIOMRMRZFA-QZTJIDSGSA-N 1 1 474.631 2.797 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106025 1063090632 /nfs/dbraw/zinc/09/06/32/1063090632.db2.gz QREMFRBREHIZAH-YADHBBJMSA-N 1 1 459.683 2.656 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291106024 1063090949 /nfs/dbraw/zinc/09/09/49/1063090949.db2.gz QREMFRBREHIZAH-VXKWHMMOSA-N 1 1 459.683 2.656 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106095 1063091526 /nfs/dbraw/zinc/09/15/26/1063091526.db2.gz RLKWZWQDKDBGPF-OVYGPGRDSA-N 1 1 480.601 2.643 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295269650 1063092559 /nfs/dbraw/zinc/09/25/59/1063092559.db2.gz MOUZGJCAXYEXMC-PMACEKPBSA-N 1 1 491.706 2.654 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106691 1063094885 /nfs/dbraw/zinc/09/48/85/1063094885.db2.gz ZLMLZLFRUFBRIO-QZTJIDSGSA-N 1 1 494.482 2.925 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001291108914 1063102066 /nfs/dbraw/zinc/10/20/66/1063102066.db2.gz CMOZMGNQMUJELL-DPLHUUCSSA-N 1 1 459.639 2.772 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291108701 1063102093 /nfs/dbraw/zinc/10/20/93/1063102093.db2.gz ZELJJQNLEFNUII-NHCUHLMSSA-N 1 1 453.635 2.689 20 0 JFADMO C[C@H](Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109961 1063106351 /nfs/dbraw/zinc/10/63/51/1063106351.db2.gz UXRZIRYDLHSQPH-AQNXPRMDSA-N 1 1 468.712 2.804 20 0 JFADMO C[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109811 1063106396 /nfs/dbraw/zinc/10/63/96/1063106396.db2.gz RRDZOSNSHRLVEF-ANQUJSFKSA-N 1 1 486.593 2.529 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291110078 1063107591 /nfs/dbraw/zinc/10/75/91/1063107591.db2.gz XBXUBQYOVUVYOX-UFYCRDLUSA-N 1 1 489.665 2.797 20 0 JFADMO CCN(C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295274148 1063114926 /nfs/dbraw/zinc/11/49/26/1063114926.db2.gz VMHUKYTWJQMNQJ-CTNGQTDRSA-N 1 1 496.722 2.543 20 0 JFADMO C[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001291122013 1063134306 /nfs/dbraw/zinc/13/43/06/1063134306.db2.gz IKIARBVEGZAJIB-RTBURBONSA-N 1 1 460.648 2.743 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123540 1063138452 /nfs/dbraw/zinc/13/84/52/1063138452.db2.gz MJLPPTIRNWXFEV-VXKWHMMOSA-N 1 1 497.692 2.824 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123836 1063140573 /nfs/dbraw/zinc/14/05/73/1063140573.db2.gz RLBXSODYSKXKJC-NRFANRHFSA-N 1 1 483.661 2.961 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)C1 ZINC001291124694 1063144538 /nfs/dbraw/zinc/14/45/38/1063144538.db2.gz IPBLYZIHLCOFSK-PZJWPPBQSA-N 1 1 467.680 2.555 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001291125093 1063146705 /nfs/dbraw/zinc/14/67/05/1063146705.db2.gz OQQNJLCHGNAJDQ-UXHICEINSA-N 1 1 469.696 2.944 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125512 1063147989 /nfs/dbraw/zinc/14/79/89/1063147989.db2.gz VVAHDUTWLVKCQX-IBGZPJMESA-N 1 1 477.679 2.646 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125897 1063151111 /nfs/dbraw/zinc/15/11/11/1063151111.db2.gz CUHFXNOOELVJBN-SQNIBIBYSA-N 1 1 466.627 2.957 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CO)CC2)C1 ZINC001291125944 1063152178 /nfs/dbraw/zinc/15/21/78/1063152178.db2.gz DKVNMHLSEQZZBY-HNNXBMFYSA-N 1 1 451.413 2.976 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001291126221 1063153461 /nfs/dbraw/zinc/15/34/61/1063153461.db2.gz IKLDTISFPNAKSL-TZIWHRDSSA-N 1 1 490.674 2.543 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001291126439 1063155542 /nfs/dbraw/zinc/15/55/42/1063155542.db2.gz MKHMPUUDBAFABN-LJQANCHMSA-N 1 1 490.674 2.543 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126661 1063156799 /nfs/dbraw/zinc/15/67/99/1063156799.db2.gz QDYSEAGXUNBAHR-VAMGGRTRSA-N 1 1 462.664 2.860 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127859 1063161717 /nfs/dbraw/zinc/16/17/17/1063161717.db2.gz NHBZKANYINTTFZ-UXHICEINSA-N 1 1 485.658 2.732 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128341 1063163071 /nfs/dbraw/zinc/16/30/71/1063163071.db2.gz VMIMQDDWGZROQF-UXHICEINSA-N 1 1 470.666 2.788 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001291128676 1063165419 /nfs/dbraw/zinc/16/54/19/1063165419.db2.gz AQSKQNKHWDWGMS-HSALFYBXSA-N 1 1 462.639 2.960 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128769 1063166234 /nfs/dbraw/zinc/16/62/34/1063166234.db2.gz CHGKCHCYGNSZJC-RZUBCFFCSA-N 1 1 460.667 2.891 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001295307060 1063172177 /nfs/dbraw/zinc/17/21/77/1063172177.db2.gz FCXVOEWYXNYQIS-FPOVZHCZSA-N 1 1 473.666 2.518 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291129946 1063175713 /nfs/dbraw/zinc/17/57/13/1063175713.db2.gz XNURJKDXWMCSOB-RBUKOAKNSA-N 1 1 491.681 2.825 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291131108 1063177632 /nfs/dbraw/zinc/17/76/32/1063177632.db2.gz VKPKMHQNLLHXDF-HSALFYBXSA-N 1 1 478.638 2.591 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295313704 1063184296 /nfs/dbraw/zinc/18/42/96/1063184296.db2.gz MQXHNYPTBLVRCJ-NZQKXSOJSA-N 1 1 484.645 2.759 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135422 1063187799 /nfs/dbraw/zinc/18/77/99/1063187799.db2.gz BDWLAOBXOODMPJ-FXAWDEMLSA-N 1 1 461.010 2.961 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291135510 1063187844 /nfs/dbraw/zinc/18/78/44/1063187844.db2.gz CWSJXBRCPGUUGA-MOPGFXCFSA-N 1 1 498.632 2.855 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291136220 1063191040 /nfs/dbraw/zinc/19/10/40/1063191040.db2.gz SQLVFFCDAJMACH-ROUUACIJSA-N 1 1 471.631 2.689 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001295315719 1063191474 /nfs/dbraw/zinc/19/14/74/1063191474.db2.gz ZRRUOOAULQUDOI-QUCCMNQESA-N 1 1 490.052 2.799 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001295318116 1063193595 /nfs/dbraw/zinc/19/35/95/1063193595.db2.gz ATSXEJCSSJLLSX-UHFFFAOYSA-N 1 1 470.647 2.711 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001295318235 1063194530 /nfs/dbraw/zinc/19/45/30/1063194530.db2.gz GIKOCZYCPCFPQO-UHFFFAOYSA-N 1 1 487.693 2.719 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001295318235 1063194543 /nfs/dbraw/zinc/19/45/43/1063194543.db2.gz GIKOCZYCPCFPQO-UHFFFAOYSA-N 1 1 487.693 2.719 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137376 1063195520 /nfs/dbraw/zinc/19/55/20/1063195520.db2.gz PQXASWMOAZKFCK-CHWSQXEVSA-N 1 1 455.426 2.954 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137602 1063196961 /nfs/dbraw/zinc/19/69/61/1063196961.db2.gz TZOAOUAGVGDHEQ-MSOLQXFVSA-N 1 1 456.595 2.665 20 0 JFADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139231 1063203063 /nfs/dbraw/zinc/20/30/63/1063203063.db2.gz YGENQECMAPHXOG-SBHAEUEKSA-N 1 1 475.659 2.828 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(CCc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141439 1063214778 /nfs/dbraw/zinc/21/47/78/1063214778.db2.gz NUAXQFGFNZKQSH-QHCPKHFHSA-N 1 1 481.689 2.901 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001295326789 1063215979 /nfs/dbraw/zinc/21/59/79/1063215979.db2.gz AWAUXTCMRVCSJT-RBBKRZOGSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001295326789 1063216000 /nfs/dbraw/zinc/21/60/00/1063216000.db2.gz AWAUXTCMRVCSJT-RBBKRZOGSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001295326781 1063216459 /nfs/dbraw/zinc/21/64/59/1063216459.db2.gz AMUJEFAMWYIGCE-XMMPIXPASA-N 1 1 490.052 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001295326781 1063216477 /nfs/dbraw/zinc/21/64/77/1063216477.db2.gz AMUJEFAMWYIGCE-XMMPIXPASA-N 1 1 490.052 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)s2)CC1 ZINC001295326897 1063217891 /nfs/dbraw/zinc/21/78/91/1063217891.db2.gz FXCXTLKMEFCKNG-UHFFFAOYSA-N 1 1 468.631 2.534 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)s2)CC1 ZINC001295326897 1063217911 /nfs/dbraw/zinc/21/79/11/1063217911.db2.gz FXCXTLKMEFCKNG-UHFFFAOYSA-N 1 1 468.631 2.534 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccncc2Cl)CC1 ZINC001295327149 1063220909 /nfs/dbraw/zinc/22/09/09/1063220909.db2.gz OXMQDDRZHCPYCU-UHFFFAOYSA-N 1 1 471.009 2.750 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccncc2Cl)CC1 ZINC001295327149 1063220929 /nfs/dbraw/zinc/22/09/29/1063220929.db2.gz OXMQDDRZHCPYCU-UHFFFAOYSA-N 1 1 471.009 2.750 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295327426 1063223109 /nfs/dbraw/zinc/22/31/09/1063223109.db2.gz UKYPZEOPIHRIRR-LJQANCHMSA-N 1 1 482.658 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295327426 1063223131 /nfs/dbraw/zinc/22/31/31/1063223131.db2.gz UKYPZEOPIHRIRR-LJQANCHMSA-N 1 1 482.658 2.981 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccco2)CC1 ZINC001295327586 1063225308 /nfs/dbraw/zinc/22/53/08/1063225308.db2.gz YESXDIULGCNWQZ-UHFFFAOYSA-N 1 1 496.612 2.984 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccco2)CC1 ZINC001295327586 1063225325 /nfs/dbraw/zinc/22/53/25/1063225325.db2.gz YESXDIULGCNWQZ-UHFFFAOYSA-N 1 1 496.612 2.984 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(C)C)CC2)CC1 ZINC001295328988 1063227585 /nfs/dbraw/zinc/22/75/85/1063227585.db2.gz OOIRQUDHFMARGN-UHFFFAOYSA-N 1 1 496.660 2.742 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C(C)C)CC2)CC1 ZINC001295328988 1063227606 /nfs/dbraw/zinc/22/76/06/1063227606.db2.gz OOIRQUDHFMARGN-UHFFFAOYSA-N 1 1 496.660 2.742 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2oc3ccccc3c2OC)CC1 ZINC001295329039 1063228958 /nfs/dbraw/zinc/22/89/58/1063228958.db2.gz PTBYBOIHIICFDJ-UHFFFAOYSA-N 1 1 454.575 2.770 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2oc3ccccc3c2OC)CC1 ZINC001295329039 1063228981 /nfs/dbraw/zinc/22/89/81/1063228981.db2.gz PTBYBOIHIICFDJ-UHFFFAOYSA-N 1 1 454.575 2.770 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(F)c2)CC1 ZINC001295333801 1063233108 /nfs/dbraw/zinc/23/31/08/1063233108.db2.gz ALXBTDDDCQPRFG-JOCHJYFZSA-N 1 1 486.636 2.934 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(F)c2)CC1 ZINC001295333801 1063233129 /nfs/dbraw/zinc/23/31/29/1063233129.db2.gz ALXBTDDDCQPRFG-JOCHJYFZSA-N 1 1 486.636 2.934 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001295334358 1063236999 /nfs/dbraw/zinc/23/69/99/1063236999.db2.gz LNFUYOBCKICVLU-NRFANRHFSA-N 1 1 470.662 2.959 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001295334358 1063237020 /nfs/dbraw/zinc/23/70/20/1063237020.db2.gz LNFUYOBCKICVLU-NRFANRHFSA-N 1 1 470.662 2.959 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccncc2Cl)CC1 ZINC001295334292 1063237064 /nfs/dbraw/zinc/23/70/64/1063237064.db2.gz JVPSXTIGSOIKPI-UHFFFAOYSA-N 1 1 497.047 2.741 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccncc2Cl)CC1 ZINC001295334292 1063237083 /nfs/dbraw/zinc/23/70/83/1063237083.db2.gz JVPSXTIGSOIKPI-UHFFFAOYSA-N 1 1 497.047 2.741 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295334367 1063237952 /nfs/dbraw/zinc/23/79/52/1063237952.db2.gz LZSLRAKHTJCYLP-VQTJNVASSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295334367 1063237973 /nfs/dbraw/zinc/23/79/73/1063237973.db2.gz LZSLRAKHTJCYLP-VQTJNVASSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295334421 1063239239 /nfs/dbraw/zinc/23/92/39/1063239239.db2.gz NSQYOFBFHNLQRB-KRWDZBQOSA-N 1 1 481.066 2.926 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295334421 1063239261 /nfs/dbraw/zinc/23/92/61/1063239261.db2.gz NSQYOFBFHNLQRB-KRWDZBQOSA-N 1 1 481.066 2.926 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001295334452 1063240144 /nfs/dbraw/zinc/24/01/44/1063240144.db2.gz ONFADMZIQKEWRK-JOCHJYFZSA-N 1 1 485.677 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001295334452 1063240158 /nfs/dbraw/zinc/24/01/58/1063240158.db2.gz ONFADMZIQKEWRK-JOCHJYFZSA-N 1 1 485.677 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295334468 1063240191 /nfs/dbraw/zinc/24/01/91/1063240191.db2.gz PFCYYTMQHKYBOC-RUZDIDTESA-N 1 1 462.683 2.798 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295334468 1063240207 /nfs/dbraw/zinc/24/02/07/1063240207.db2.gz PFCYYTMQHKYBOC-RUZDIDTESA-N 1 1 462.683 2.798 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001295334605 1063241689 /nfs/dbraw/zinc/24/16/89/1063241689.db2.gz QBVSFDNDKQRTJQ-QFIPXVFZSA-N 1 1 490.693 2.902 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001295334605 1063241713 /nfs/dbraw/zinc/24/17/13/1063241713.db2.gz QBVSFDNDKQRTJQ-QFIPXVFZSA-N 1 1 490.693 2.902 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295334682 1063242366 /nfs/dbraw/zinc/24/23/66/1063242366.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001295334857 1063243854 /nfs/dbraw/zinc/24/38/54/1063243854.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 1 1 499.679 2.873 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291159175 1063245116 /nfs/dbraw/zinc/24/51/16/1063245116.db2.gz JPXUJMMMHMQWFZ-NRFANRHFSA-N 1 1 498.653 2.502 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291159388 1063245624 /nfs/dbraw/zinc/24/56/24/1063245624.db2.gz NQXJENSRRWVLJO-KRWDZBQOSA-N 1 1 488.518 2.514 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295335140 1063247174 /nfs/dbraw/zinc/24/71/74/1063247174.db2.gz MFIMNSBZMXRUMW-RUZDIDTESA-N 1 1 481.689 2.879 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295335141 1063247372 /nfs/dbraw/zinc/24/73/72/1063247372.db2.gz MFIMNSBZMXRUMW-VWLOTQADSA-N 1 1 481.689 2.879 20 0 JFADMO C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291164064 1063247766 /nfs/dbraw/zinc/24/77/66/1063247766.db2.gz QCFXWDLDBMOACD-RBBKRZOGSA-N 1 1 475.659 2.708 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291164063 1063247896 /nfs/dbraw/zinc/24/78/96/1063247896.db2.gz QCFXWDLDBMOACD-IRLDBZIGSA-N 1 1 475.659 2.708 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248532 /nfs/dbraw/zinc/24/85/32/1063248532.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 1 1 499.679 2.873 20 0 JFADMO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001291165186 1063249589 /nfs/dbraw/zinc/24/95/89/1063249589.db2.gz HEDFXIPZFZBOLM-WYEJZRMESA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295335190 1063250376 /nfs/dbraw/zinc/25/03/76/1063250376.db2.gz NWMRWJCPXXTIQF-RBUKOAKNSA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295335190 1063250400 /nfs/dbraw/zinc/25/04/00/1063250400.db2.gz NWMRWJCPXXTIQF-RBUKOAKNSA-N 1 1 468.593 2.946 20 0 JFADMO C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291166755 1063253309 /nfs/dbraw/zinc/25/33/09/1063253309.db2.gz FSGSINMVDNVCRK-AZUAARDMSA-N 1 1 497.612 2.910 20 0 JFADMO C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291166755 1063253328 /nfs/dbraw/zinc/25/33/28/1063253328.db2.gz FSGSINMVDNVCRK-AZUAARDMSA-N 1 1 497.612 2.910 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295335997 1063255792 /nfs/dbraw/zinc/25/57/92/1063255792.db2.gz LENRAMOFWMXXCD-UHFFFAOYSA-N 1 1 484.693 2.539 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295336356 1063257975 /nfs/dbraw/zinc/25/79/75/1063257975.db2.gz PIKUGLLMMQQNMQ-NRFANRHFSA-N 1 1 484.693 2.774 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295336807 1063260123 /nfs/dbraw/zinc/26/01/23/1063260123.db2.gz WMRGYFIHXTZPDK-HSZRJFAPSA-N 1 1 498.720 2.642 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC001295338423 1063265960 /nfs/dbraw/zinc/26/59/60/1063265960.db2.gz ONHYQYLBVSMJOU-JOCHJYFZSA-N 1 1 473.710 2.874 20 0 JFADMO CC1CC[NH+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001291184655 1063284163 /nfs/dbraw/zinc/28/41/63/1063284163.db2.gz GRYYWEPXUPBYET-INIZCTEOSA-N 1 1 463.570 2.691 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295345776 1063285188 /nfs/dbraw/zinc/28/51/88/1063285188.db2.gz LGXFEJSMAPSRGR-OAQYLSRUSA-N 1 1 470.666 2.988 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295346334 1063286812 /nfs/dbraw/zinc/28/68/12/1063286812.db2.gz VKUAVUJQHPGUIX-UXHICEINSA-N 1 1 456.639 2.977 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291186153 1063288864 /nfs/dbraw/zinc/28/88/64/1063288864.db2.gz AOSXLHIEXOCIOQ-CALCHBBNSA-N 1 1 490.052 2.973 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291186551 1063291241 /nfs/dbraw/zinc/29/12/41/1063291241.db2.gz GNIVSNGHVZYRIP-OKILXGFUSA-N 1 1 497.463 2.593 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)C[C@H](C)O1 ZINC001291187261 1063294777 /nfs/dbraw/zinc/29/47/77/1063294777.db2.gz RJXASNRCLKMMMS-FGTMMUONSA-N 1 1 458.582 2.639 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187352 1063294989 /nfs/dbraw/zinc/29/49/89/1063294989.db2.gz SVACXBWNHSOFHH-CEXWTWQISA-N 1 1 488.608 2.771 20 0 JFADMO C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291187968 1063299012 /nfs/dbraw/zinc/29/90/12/1063299012.db2.gz BZBWOLHIZUFSBR-NHCUHLMSSA-N 1 1 489.709 2.599 20 0 JFADMO C[C@@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291187968 1063299037 /nfs/dbraw/zinc/29/90/37/1063299037.db2.gz BZBWOLHIZUFSBR-NHCUHLMSSA-N 1 1 489.709 2.599 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295356028 1063310964 /nfs/dbraw/zinc/31/09/64/1063310964.db2.gz YQLYUZMRPOPFHS-QFIPXVFZSA-N 1 1 485.681 2.598 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291190169 1063314174 /nfs/dbraw/zinc/31/41/74/1063314174.db2.gz PWMFELFVODBAHY-HNNXBMFYSA-N 1 1 464.973 2.515 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cccc(C)c2)CC1 ZINC001295359432 1063319762 /nfs/dbraw/zinc/31/97/62/1063319762.db2.gz YEYPSCOHELDDLE-NRFANRHFSA-N 1 1 455.651 2.777 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001291194164 1063326437 /nfs/dbraw/zinc/32/64/37/1063326437.db2.gz RCIOJIJWZJVHEP-QGZVFWFLSA-N 1 1 479.050 2.613 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001295364738 1063327169 /nfs/dbraw/zinc/32/71/69/1063327169.db2.gz HHLQMJIUZHSXLE-UXHICEINSA-N 1 1 472.634 2.604 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291197707 1063344206 /nfs/dbraw/zinc/34/42/06/1063344206.db2.gz IZEZICKEMBADTH-OALUTQOASA-N 1 1 455.607 2.909 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@H]1[NH+]1CCOCC1 ZINC001291200901 1063356645 /nfs/dbraw/zinc/35/66/45/1063356645.db2.gz MISMGVPZHNRXNN-NVXWUHKLSA-N 1 1 463.424 2.938 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001291201647 1063357297 /nfs/dbraw/zinc/35/72/97/1063357297.db2.gz YTTHGUHXDAQOFO-WIYYLYMNSA-N 1 1 469.634 2.874 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001295384087 1063358318 /nfs/dbraw/zinc/35/83/18/1063358318.db2.gz FIMHNBQWXHMPKI-YADHBBJMSA-N 1 1 467.662 2.842 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291203848 1063360259 /nfs/dbraw/zinc/36/02/59/1063360259.db2.gz LQKWKKPOHZZLQA-GOSISDBHSA-N 1 1 460.648 2.602 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291205448 1063364145 /nfs/dbraw/zinc/36/41/45/1063364145.db2.gz JANXAEGNXJAAAN-LJQANCHMSA-N 1 1 460.648 2.691 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCOc1ccccc1 ZINC001291208309 1063378787 /nfs/dbraw/zinc/37/87/87/1063378787.db2.gz VVOQBOQPVKUZKA-WOJBJXKFSA-N 1 1 490.674 2.668 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210827 1063390147 /nfs/dbraw/zinc/39/01/47/1063390147.db2.gz JJFRTWFPXLUEIH-RDJZCZTQSA-N 1 1 483.480 2.835 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC001295404435 1063390921 /nfs/dbraw/zinc/39/09/21/1063390921.db2.gz CITNDCKFLWAFGC-PIKOESSRSA-N 1 1 481.688 2.938 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1)c1ccsc1 ZINC001295405248 1063392953 /nfs/dbraw/zinc/39/29/53/1063392953.db2.gz GJLZFCVIGMBBMY-CEXWTWQISA-N 1 1 467.661 2.550 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1)c1ccsc1 ZINC001295405249 1063393136 /nfs/dbraw/zinc/39/31/36/1063393136.db2.gz GJLZFCVIGMBBMY-GBESFXJTSA-N 1 1 467.661 2.550 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001295406770 1063397139 /nfs/dbraw/zinc/39/71/39/1063397139.db2.gz LRKRPKUNZZRACN-YZGWKJHDSA-N 1 1 481.688 2.940 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215771 1063430611 /nfs/dbraw/zinc/43/06/11/1063430611.db2.gz VNKJIZCNAQXBSU-RBUKOAKNSA-N 1 1 461.632 2.694 20 0 JFADMO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295428213 1063441014 /nfs/dbraw/zinc/44/10/14/1063441014.db2.gz ORUXFSJVPAQEIH-IBGZPJMESA-N 1 1 477.679 2.750 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CC(F)(F)F ZINC001291219821 1063447551 /nfs/dbraw/zinc/44/75/51/1063447551.db2.gz RZEJTUMSIJMQES-FOIQADDNSA-N 1 1 472.943 2.738 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CC(F)(F)F ZINC001291219823 1063448330 /nfs/dbraw/zinc/44/83/30/1063448330.db2.gz RZEJTUMSIJMQES-QRWLVFNGSA-N 1 1 472.943 2.738 20 0 JFADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001295448482 1063452929 /nfs/dbraw/zinc/45/29/29/1063452929.db2.gz UQFQAGDGUTWJJU-MRXNPFEDSA-N 1 1 452.393 2.619 20 0 JFADMO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001291222113 1063457251 /nfs/dbraw/zinc/45/72/51/1063457251.db2.gz IRILKZNCWPBFAD-KBPBESRZSA-N 1 1 479.398 2.996 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001291228074 1063477380 /nfs/dbraw/zinc/47/73/80/1063477380.db2.gz LJOHYDGZXBNUEG-CRAIPNDOSA-N 1 1 457.472 2.963 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291228479 1063478457 /nfs/dbraw/zinc/47/84/57/1063478457.db2.gz SLMLNSOUQUKQPY-IIDMSEBBSA-N 1 1 457.472 2.961 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291230314 1063484004 /nfs/dbraw/zinc/48/40/04/1063484004.db2.gz YVLTVQGHSWHWHZ-WBVHZDCISA-N 1 1 456.538 2.793 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCSCC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291230313 1063484032 /nfs/dbraw/zinc/48/40/32/1063484032.db2.gz YVLTVQGHSWHWHZ-RDJZCZTQSA-N 1 1 456.538 2.793 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291234178 1063494825 /nfs/dbraw/zinc/49/48/25/1063494825.db2.gz QXBYWIOOSFRWIF-AZUAARDMSA-N 1 1 473.622 2.687 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291234123 1063494997 /nfs/dbraw/zinc/49/49/97/1063494997.db2.gz QBRIOUVKYUSCTL-GOSISDBHSA-N 1 1 473.622 2.830 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291234123 1063495015 /nfs/dbraw/zinc/49/50/15/1063495015.db2.gz QBRIOUVKYUSCTL-GOSISDBHSA-N 1 1 473.622 2.830 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237738 1063504056 /nfs/dbraw/zinc/50/40/56/1063504056.db2.gz CJQITTLOAWRVEK-ZHALLVOQSA-N 1 1 456.595 2.569 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291238118 1063505240 /nfs/dbraw/zinc/50/52/40/1063505240.db2.gz JWHRFSOEQWTPNX-GOSISDBHSA-N 1 1 470.622 2.913 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242045 1063514802 /nfs/dbraw/zinc/51/48/02/1063514802.db2.gz WHVKMHJLFRFJQO-MJGOQNOKSA-N 1 1 475.638 2.549 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291249358 1063525887 /nfs/dbraw/zinc/52/58/87/1063525887.db2.gz DIFYPJGFEWCVAJ-OALUTQOASA-N 1 1 467.680 2.696 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291249961 1063528591 /nfs/dbraw/zinc/52/85/91/1063528591.db2.gz LUKKMRFXAHKCTG-QHAWAJNXSA-N 1 1 492.665 2.586 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001295511071 1063545623 /nfs/dbraw/zinc/54/56/23/1063545623.db2.gz ATIPVLAMVOCDEY-FCHUYYIVSA-N 1 1 457.667 2.809 20 0 JFADMO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001295511072 1063545784 /nfs/dbraw/zinc/54/57/84/1063545784.db2.gz ATIPVLAMVOCDEY-FGZHOGPDSA-N 1 1 457.667 2.809 20 0 JFADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001291256117 1063547075 /nfs/dbraw/zinc/54/70/75/1063547075.db2.gz PYHACCJXDQLOQX-SFTDATJTSA-N 1 1 463.667 2.998 20 0 JFADMO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291256222 1063547713 /nfs/dbraw/zinc/54/77/13/1063547713.db2.gz RJWUNNDHXNAUSI-QWFCFKBJSA-N 1 1 478.638 2.684 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291264515 1063563473 /nfs/dbraw/zinc/56/34/73/1063563473.db2.gz DMLLSGKASKXAOC-IBGZPJMESA-N 1 1 474.675 2.788 20 0 JFADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001291278515 1063596027 /nfs/dbraw/zinc/59/60/27/1063596027.db2.gz XIBBLVQWLDBVHK-SFHVURJKSA-N 1 1 460.648 2.864 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001291280297 1063602494 /nfs/dbraw/zinc/60/24/94/1063602494.db2.gz DCYHWJPPUJACEU-QUCCMNQESA-N 1 1 464.010 2.973 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 ZINC001295569582 1063604252 /nfs/dbraw/zinc/60/42/52/1063604252.db2.gz GJGVKUAUZWNDKO-JOCHJYFZSA-N 1 1 471.719 2.926 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001295583502 1063627226 /nfs/dbraw/zinc/62/72/26/1063627226.db2.gz HVJSPOIWSWTRON-SIKLNZKXSA-N 1 1 481.645 2.689 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291285961 1063629308 /nfs/dbraw/zinc/62/93/08/1063629308.db2.gz ADQZNCYBKKEQHS-OALUTQOASA-N 1 1 490.674 2.536 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291285961 1063629317 /nfs/dbraw/zinc/62/93/17/1063629317.db2.gz ADQZNCYBKKEQHS-OALUTQOASA-N 1 1 490.674 2.536 20 0 JFADMO C[C@H]1C[N@H+](Cc2cccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(F)(F)F)c2)CCO1 ZINC001291286120 1063629858 /nfs/dbraw/zinc/62/98/58/1063629858.db2.gz CRAIVLPIDBZXKG-KRWDZBQOSA-N 1 1 480.535 2.782 20 0 JFADMO C[C@H]1C[N@@H+](Cc2cccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(F)(F)F)c2)CCO1 ZINC001291286120 1063629866 /nfs/dbraw/zinc/62/98/66/1063629866.db2.gz CRAIVLPIDBZXKG-KRWDZBQOSA-N 1 1 480.535 2.782 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287460 1063639752 /nfs/dbraw/zinc/63/97/52/1063639752.db2.gz BVSUHHVXYKZYQR-ZCNNSNEGSA-N 1 1 488.608 2.760 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287604 1063640464 /nfs/dbraw/zinc/64/04/64/1063640464.db2.gz FJUOICSKIRWKPX-QRVBRYPASA-N 1 1 480.617 2.535 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C[C@H](C)O1 ZINC001291287725 1063642426 /nfs/dbraw/zinc/64/24/26/1063642426.db2.gz GZUJXXQQFLZFBC-KDURUIRLSA-N 1 1 491.036 2.588 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F ZINC001291287773 1063643079 /nfs/dbraw/zinc/64/30/79/1063643079.db2.gz HOTHTPVUPMDJMG-SFHVURJKSA-N 1 1 462.545 2.507 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001295598920 1063643050 /nfs/dbraw/zinc/64/30/50/1063643050.db2.gz FHHGRZXDHAGWAJ-UGKGYDQZSA-N 1 1 470.618 2.765 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2F)C[C@H](C)O1 ZINC001291287936 1063644207 /nfs/dbraw/zinc/64/42/07/1063644207.db2.gz KIJLFMKWVSMWIY-BGYRXZFFSA-N 1 1 488.608 2.668 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCOCC1 ZINC001291287979 1063644781 /nfs/dbraw/zinc/64/47/81/1063644781.db2.gz LDFKTNQGRAJWNS-FQEVSTJZSA-N 1 1 468.646 2.860 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288007 1063646052 /nfs/dbraw/zinc/64/60/52/1063646052.db2.gz LTAOZGFXXIQCGZ-MHORFTMASA-N 1 1 484.692 2.647 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F ZINC001291288797 1063652515 /nfs/dbraw/zinc/65/25/15/1063652515.db2.gz YMAAHLDIYJLLHE-MRXNPFEDSA-N 1 1 450.509 2.935 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC001291289595 1063658061 /nfs/dbraw/zinc/65/80/61/1063658061.db2.gz MNZIWDBONPCXDD-KDURUIRLSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290079 1063662191 /nfs/dbraw/zinc/66/21/91/1063662191.db2.gz UTTJBHVAZVEXLQ-RBUKOAKNSA-N 1 1 483.583 2.857 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291290343 1063663956 /nfs/dbraw/zinc/66/39/56/1063663956.db2.gz YPASRWRIPJDTOV-ROUUACIJSA-N 1 1 461.010 2.766 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2F)C[C@H](C)O1 ZINC001291290742 1063665059 /nfs/dbraw/zinc/66/50/59/1063665059.db2.gz FIWLSMPFFCWRDS-KDURUIRLSA-N 1 1 455.582 2.996 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3noc4c3COCC4)nnc2N(C)CCC(F)F)C[C@H](C)O1 ZINC001291291982 1063673614 /nfs/dbraw/zinc/67/36/14/1063673614.db2.gz XDLQAFZAAFWFCN-GASCZTMLSA-N 1 1 454.522 2.597 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)C[C@H](C)O1 ZINC001291292135 1063673988 /nfs/dbraw/zinc/67/39/88/1063673988.db2.gz ZEQHKLOBIDERSD-BGYRXZFFSA-N 1 1 475.682 2.750 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291292411 1063675810 /nfs/dbraw/zinc/67/58/10/1063675810.db2.gz DBNXBXHMWJXXMH-OALUTQOASA-N 1 1 475.037 2.690 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cscn2)C[C@H](C)O1 ZINC001291292617 1063676986 /nfs/dbraw/zinc/67/69/86/1063676986.db2.gz HALNRDGARPBRQP-CALCHBBNSA-N 1 1 489.671 2.862 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCO1 ZINC001291292850 1063679142 /nfs/dbraw/zinc/67/91/42/1063679142.db2.gz KIDPTJMVEPNULY-HXUWFJFHSA-N 1 1 477.698 2.998 20 0 JFADMO CCN(Cc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295636377 1063679718 /nfs/dbraw/zinc/67/97/18/1063679718.db2.gz XAEPQDCJBMFLDG-GOSISDBHSA-N 1 1 469.615 2.982 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)CCc2cccs2)C[C@H](C)O1 ZINC001291293480 1063685242 /nfs/dbraw/zinc/68/52/42/1063685242.db2.gz VQFGHQJOCYREFN-KDURUIRLSA-N 1 1 460.648 2.640 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)CCCO1 ZINC001291293853 1063686714 /nfs/dbraw/zinc/68/67/14/1063686714.db2.gz AMJLIRBLUYWFQA-MRXNPFEDSA-N 1 1 454.570 2.570 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291294203 1063688484 /nfs/dbraw/zinc/68/84/84/1063688484.db2.gz GJDUSMKLWJDZDF-BGYRXZFFSA-N 1 1 460.667 2.914 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)CCCO1 ZINC001291294214 1063688662 /nfs/dbraw/zinc/68/86/62/1063688662.db2.gz GOUZUTWWCFZMRN-NJYVYQBISA-N 1 1 492.665 2.776 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291294611 1063690450 /nfs/dbraw/zinc/69/04/50/1063690450.db2.gz MSXHAWNQEVEYMK-UKPGDCENSA-N 1 1 490.693 2.788 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294719 1063691440 /nfs/dbraw/zinc/69/14/40/1063691440.db2.gz OICQNXKVIGSUCR-VQIMIIECSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294764 1063691527 /nfs/dbraw/zinc/69/15/27/1063691527.db2.gz PEJPPPNSPCFCIT-KBPBESRZSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294717 1063691568 /nfs/dbraw/zinc/69/15/68/1063691568.db2.gz OICQNXKVIGSUCR-LPHOPBHVSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295082 1063693287 /nfs/dbraw/zinc/69/32/87/1063693287.db2.gz ULPXQASAWPHIHL-HUUCEWRRSA-N 1 1 485.486 2.515 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295656665 1063699468 /nfs/dbraw/zinc/69/94/68/1063699468.db2.gz IOBGZWPVCMTGFT-UHFFFAOYSA-N 1 1 454.598 2.870 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295656665 1063699473 /nfs/dbraw/zinc/69/94/73/1063699473.db2.gz IOBGZWPVCMTGFT-UHFFFAOYSA-N 1 1 454.598 2.870 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295656665 1063699480 /nfs/dbraw/zinc/69/94/80/1063699480.db2.gz IOBGZWPVCMTGFT-UHFFFAOYSA-N 1 1 454.598 2.870 20 0 JFADMO C[C@H]1COCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291297796 1063701109 /nfs/dbraw/zinc/70/11/09/1063701109.db2.gz CWVPYVFNXRSRHU-UNMCSNQZSA-N 1 1 456.635 2.731 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291301491 1063709503 /nfs/dbraw/zinc/70/95/03/1063709503.db2.gz DMKXYJUOWQLHCP-XLIONFOSSA-N 1 1 461.632 2.694 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291301945 1063710782 /nfs/dbraw/zinc/71/07/82/1063710782.db2.gz NESDNGCAEMQVFX-CABCVRRESA-N 1 1 470.437 2.841 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCOCC1 ZINC001291303011 1063712825 /nfs/dbraw/zinc/71/28/25/1063712825.db2.gz KQOTTYPFPSJENW-HNNXBMFYSA-N 1 1 468.371 2.794 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291306677 1063720065 /nfs/dbraw/zinc/72/00/65/1063720065.db2.gz DRKNGDSWEJVZFI-MOPGFXCFSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291306677 1063720076 /nfs/dbraw/zinc/72/00/76/1063720076.db2.gz DRKNGDSWEJVZFI-MOPGFXCFSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291307594 1063724401 /nfs/dbraw/zinc/72/44/01/1063724401.db2.gz XFHGHRQPFNKUKJ-GJZGRUSLSA-N 1 1 467.401 2.640 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291307594 1063724416 /nfs/dbraw/zinc/72/44/16/1063724416.db2.gz XFHGHRQPFNKUKJ-GJZGRUSLSA-N 1 1 467.401 2.640 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291307645 1063725869 /nfs/dbraw/zinc/72/58/69/1063725869.db2.gz YHAPSMLUDZXIJJ-INIZCTEOSA-N 1 1 461.517 2.637 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291307645 1063725877 /nfs/dbraw/zinc/72/58/77/1063725877.db2.gz YHAPSMLUDZXIJJ-INIZCTEOSA-N 1 1 461.517 2.637 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308096 1063727269 /nfs/dbraw/zinc/72/72/69/1063727269.db2.gz HOFAQXWWQSEIGF-OALUTQOASA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308096 1063727284 /nfs/dbraw/zinc/72/72/84/1063727284.db2.gz HOFAQXWWQSEIGF-OALUTQOASA-N 1 1 471.606 2.554 20 0 JFADMO Cn1cc(Br)c(=O)c(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001295707132 1063727999 /nfs/dbraw/zinc/72/79/99/1063727999.db2.gz CQIVEGFMHHZLHX-UHFFFAOYSA-N 1 1 453.768 2.952 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001295713669 1063731856 /nfs/dbraw/zinc/73/18/56/1063731856.db2.gz GZZCQMWPTLQBBY-DHIUTWEWSA-N 1 1 484.645 2.713 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)C(C)C ZINC001295723231 1063738667 /nfs/dbraw/zinc/73/86/67/1063738667.db2.gz SRRMOMLRPVLAHJ-IBGZPJMESA-N 1 1 477.679 2.892 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C ZINC001295743703 1063750825 /nfs/dbraw/zinc/75/08/25/1063750825.db2.gz XCKVDWNUTOCEBX-LPHOPBHVSA-N 1 1 451.539 2.530 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@@H]1C ZINC001295743703 1063750837 /nfs/dbraw/zinc/75/08/37/1063750837.db2.gz XCKVDWNUTOCEBX-LPHOPBHVSA-N 1 1 451.539 2.530 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291323561 1063769963 /nfs/dbraw/zinc/76/99/63/1063769963.db2.gz MGCMRMRMPXBGPC-NBGIEHNGSA-N 1 1 457.619 2.608 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295766357 1063774804 /nfs/dbraw/zinc/77/48/04/1063774804.db2.gz LIIJHGSJVNFMDE-RXVVDRJESA-N 1 1 486.608 2.708 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295771361 1063780138 /nfs/dbraw/zinc/78/01/38/1063780138.db2.gz DFXAVCMOKBVADL-YADHBBJMSA-N 1 1 454.619 2.655 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001291334864 1063794324 /nfs/dbraw/zinc/79/43/24/1063794324.db2.gz GEPRUQCRNWDXHD-RTBURBONSA-N 1 1 496.641 2.785 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291336361 1063799848 /nfs/dbraw/zinc/79/98/48/1063799848.db2.gz HDHKFYOFROOGOL-FXAWDEMLSA-N 1 1 461.010 2.814 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291336362 1063799930 /nfs/dbraw/zinc/79/99/30/1063799930.db2.gz HDHKFYOFROOGOL-PXNSSMCTSA-N 1 1 461.010 2.814 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291337119 1063803217 /nfs/dbraw/zinc/80/32/17/1063803217.db2.gz UXMYBOCRIOKLCI-YPCDYVTLSA-N 1 1 490.693 2.934 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291337117 1063803250 /nfs/dbraw/zinc/80/32/50/1063803250.db2.gz UXMYBOCRIOKLCI-IPVFLDMMSA-N 1 1 490.693 2.934 20 0 JFADMO CCN(CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)S(C)(=O)=O ZINC001295810021 1063804543 /nfs/dbraw/zinc/80/45/43/1063804543.db2.gz IYDUHZGMULZHGY-ZWKOTPCHSA-N 1 1 481.066 2.943 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)C(C)C ZINC001295815336 1063817883 /nfs/dbraw/zinc/81/78/83/1063817883.db2.gz GVPJFDRAZOYVHD-UHFFFAOYSA-N 1 1 499.635 2.736 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001291341012 1063819471 /nfs/dbraw/zinc/81/94/71/1063819471.db2.gz VTBBVULSOCMGLD-UXHICEINSA-N 1 1 454.623 2.598 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1)C(C)C ZINC001295819044 1063823616 /nfs/dbraw/zinc/82/36/16/1063823616.db2.gz GMIPVMYSUPPUHO-CTNGQTDRSA-N 1 1 462.664 2.921 20 0 JFADMO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 ZINC001295819477 1063824281 /nfs/dbraw/zinc/82/42/81/1063824281.db2.gz NWXWDYGNTFRXNA-UHFFFAOYSA-N 1 1 460.648 2.787 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1)C1CC1 ZINC001295820671 1063825962 /nfs/dbraw/zinc/82/59/62/1063825962.db2.gz GPTVQZGXDWASLV-UHFFFAOYSA-N 1 1 453.635 2.844 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)C(C)C ZINC001295820906 1063826671 /nfs/dbraw/zinc/82/66/71/1063826671.db2.gz JOFDRTVJBXRVCO-RUZDIDTESA-N 1 1 467.618 2.594 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C2CCOCC2)C1)CCC(F)(F)F ZINC001295821058 1063827503 /nfs/dbraw/zinc/82/75/03/1063827503.db2.gz LRRSVQKUAJYFPN-SFHVURJKSA-N 1 1 474.572 2.944 20 0 JFADMO CC[N@@H+](CCn1c(C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)CCC(F)(F)F ZINC001295823850 1063830466 /nfs/dbraw/zinc/83/04/66/1063830466.db2.gz UXXRZXRTIYQXDF-UHFFFAOYSA-N 1 1 458.451 2.756 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](NC(C)=O)C1)C1CC1 ZINC001295823972 1063831038 /nfs/dbraw/zinc/83/10/38/1063831038.db2.gz ZHKRIKXVEUXEJE-KRWDZBQOSA-N 1 1 478.439 2.635 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(=O)OC)C1)C1CC1 ZINC001295823913 1063831088 /nfs/dbraw/zinc/83/10/88/1063831088.db2.gz XCXNVRFVMSQPAF-CQSZACIVSA-N 1 1 465.396 2.530 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1)C1CC1 ZINC001295824266 1063831645 /nfs/dbraw/zinc/83/16/45/1063831645.db2.gz BLSJYENATNPFTJ-UHFFFAOYSA-N 1 1 485.452 2.533 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295824872 1063832718 /nfs/dbraw/zinc/83/27/18/1063832718.db2.gz JYPQFUQPWPQMQS-QGZVFWFLSA-N 1 1 482.507 2.869 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)CCC(F)(F)F ZINC001295824867 1063832810 /nfs/dbraw/zinc/83/28/10/1063832810.db2.gz JYPQFUQPWPQMQS-KRWDZBQOSA-N 1 1 482.507 2.869 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291344458 1063832989 /nfs/dbraw/zinc/83/29/89/1063832989.db2.gz CVUFFQTWLZUFCA-YADHBBJMSA-N 1 1 489.064 2.864 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001291344970 1063835663 /nfs/dbraw/zinc/83/56/63/1063835663.db2.gz NTMGBXBYIBASCR-NZQKXSOJSA-N 1 1 485.652 2.529 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC001295827080 1063835956 /nfs/dbraw/zinc/83/59/56/1063835956.db2.gz KRDQUNDRNMTPFY-GOSISDBHSA-N 1 1 489.564 2.846 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001291345240 1063837868 /nfs/dbraw/zinc/83/78/68/1063837868.db2.gz SCPXIGDIAOIFQP-NHCUHLMSSA-N 1 1 454.619 2.857 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCN(C)C(=O)C1)C1CC1 ZINC001295828087 1063838632 /nfs/dbraw/zinc/83/86/32/1063838632.db2.gz UYFDNZHNFZGNRW-UHFFFAOYSA-N 1 1 453.410 2.532 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)C(C)C ZINC001295829017 1063840341 /nfs/dbraw/zinc/84/03/41/1063840341.db2.gz DXOXBOWUAZHJEX-UHFFFAOYSA-N 1 1 458.607 2.652 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291345720 1063840883 /nfs/dbraw/zinc/84/08/83/1063840883.db2.gz CODDTNIAKYDGBG-ZEQRLZLVSA-N 1 1 482.673 2.915 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)C(C)C ZINC001295829328 1063840993 /nfs/dbraw/zinc/84/09/93/1063840993.db2.gz HKHYGVAIAQSQSR-AREMUKBSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@@H]1C ZINC001295829599 1063842086 /nfs/dbraw/zinc/84/20/86/1063842086.db2.gz SUOWQJCPHSMPGC-LSDHHAIUSA-N 1 1 457.556 2.624 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001295829838 1063842805 /nfs/dbraw/zinc/84/28/05/1063842805.db2.gz MIMDENIXWGUFJD-SFHVURJKSA-N 1 1 476.025 2.893 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)C(C)C ZINC001295830076 1063843341 /nfs/dbraw/zinc/84/33/41/1063843341.db2.gz LGXIUXAMKTUDMA-OAQYLSRUSA-N 1 1 467.622 2.902 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1)CCC(F)(F)F ZINC001295834147 1063850094 /nfs/dbraw/zinc/85/00/94/1063850094.db2.gz RBHQUZVKTJNBNV-KRWDZBQOSA-N 1 1 485.507 2.800 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295836739 1063853930 /nfs/dbraw/zinc/85/39/30/1063853930.db2.gz DKJIFRJDWUDMJY-IBGZPJMESA-N 1 1 471.606 2.554 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)C(C)C ZINC001295837656 1063855686 /nfs/dbraw/zinc/85/56/86/1063855686.db2.gz AWYOONSVZPQCGZ-ZRZAMGCNSA-N 1 1 496.704 2.697 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295839074 1063857912 /nfs/dbraw/zinc/85/79/12/1063857912.db2.gz PFONJQYZDJWPGN-SFHVURJKSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N(C)CC1COC(C)(C)OC1)CCC(F)(F)F ZINC001295842147 1063862200 /nfs/dbraw/zinc/86/22/00/1063862200.db2.gz UDWPGPIFSTZXTB-UHFFFAOYSA-N 1 1 471.528 2.845 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(O)cc2C1)CCC(F)(F)F ZINC001295844321 1063863483 /nfs/dbraw/zinc/86/34/83/1063863483.db2.gz BBXMHFOCVVNPOU-GOSISDBHSA-N 1 1 466.508 2.772 20 0 JFADMO CCC(C)(C)Cn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291357679 1063864165 /nfs/dbraw/zinc/86/41/65/1063864165.db2.gz RMKITLCNIMZCDT-SANMLTNESA-N 1 1 490.693 2.889 20 0 JFADMO CCC(C)(C)Cn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291357679 1063864181 /nfs/dbraw/zinc/86/41/81/1063864181.db2.gz RMKITLCNIMZCDT-SANMLTNESA-N 1 1 490.693 2.889 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001291358410 1063865360 /nfs/dbraw/zinc/86/53/60/1063865360.db2.gz LDZFEXJFHQWAIE-CLOONOSVSA-N 1 1 470.618 2.567 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001291358413 1063865378 /nfs/dbraw/zinc/86/53/78/1063865378.db2.gz LDZFEXJFHQWAIE-UQBPGWFLSA-N 1 1 470.618 2.567 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1)CCC(F)(F)F ZINC001295845151 1063865468 /nfs/dbraw/zinc/86/54/68/1063865468.db2.gz JRYCXZJQJURLJW-MSOLQXFVSA-N 1 1 472.556 2.899 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001291358411 1063865445 /nfs/dbraw/zinc/86/54/45/1063865445.db2.gz LDZFEXJFHQWAIE-DFBJGRDBSA-N 1 1 470.618 2.567 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001295846514 1063868807 /nfs/dbraw/zinc/86/88/07/1063868807.db2.gz VYYKZXHXLSZPGB-CVDCTZTESA-N 1 1 494.562 2.910 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001295850957 1063874714 /nfs/dbraw/zinc/87/47/14/1063874714.db2.gz ANAYKKFYADRJEZ-HNNXBMFYSA-N 1 1 488.452 2.902 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)CCC(F)(F)F ZINC001295851005 1063874762 /nfs/dbraw/zinc/87/47/62/1063874762.db2.gz BHXDLOKTOGZFSU-MSOLQXFVSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)C(C)C ZINC001295851137 1063875726 /nfs/dbraw/zinc/87/57/26/1063875726.db2.gz BPRZIQFZYCOAAC-QFIPXVFZSA-N 1 1 483.661 2.663 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C(C)C ZINC001295851651 1063876449 /nfs/dbraw/zinc/87/64/49/1063876449.db2.gz GHMXRJAETLFWGX-INIZCTEOSA-N 1 1 450.525 2.535 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001295852622 1063877383 /nfs/dbraw/zinc/87/73/83/1063877383.db2.gz KAZSSPOXNCXDTM-NHCUHLMSSA-N 1 1 475.659 2.816 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 ZINC001295853003 1063879069 /nfs/dbraw/zinc/87/90/69/1063879069.db2.gz NHTZNOFTNOTVHD-MRXNPFEDSA-N 1 1 463.570 2.833 20 0 JFADMO CCN(CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884079 /nfs/dbraw/zinc/88/40/79/1063884079.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 1 1 488.599 2.746 20 0 JFADMO CCN(CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884097 /nfs/dbraw/zinc/88/40/97/1063884097.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 1 1 488.599 2.746 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291365291 1063885884 /nfs/dbraw/zinc/88/58/84/1063885884.db2.gz GPCHVCYHCLJHGC-AVRWGWEMSA-N 1 1 473.618 2.813 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C ZINC001295859168 1063889662 /nfs/dbraw/zinc/88/96/62/1063889662.db2.gz IIFFXPMVSQNQKR-DEOSSOPVSA-N 1 1 456.591 2.639 20 0 JFADMO CCN(CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295859838 1063891428 /nfs/dbraw/zinc/89/14/28/1063891428.db2.gz YPPOPXFKNXMHAS-NRFANRHFSA-N 1 1 499.660 2.679 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C)CCC(F)(F)F ZINC001295861081 1063893038 /nfs/dbraw/zinc/89/30/38/1063893038.db2.gz SBESKOZKECFFQE-CQSZACIVSA-N 1 1 473.569 2.575 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291368819 1063894228 /nfs/dbraw/zinc/89/42/28/1063894228.db2.gz VFMLBJDIWSAPIF-RUZDIDTESA-N 1 1 467.618 2.839 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291368819 1063894237 /nfs/dbraw/zinc/89/42/37/1063894237.db2.gz VFMLBJDIWSAPIF-RUZDIDTESA-N 1 1 467.618 2.839 20 0 JFADMO C[N@H+]1C[C@H](C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC001295862558 1063895038 /nfs/dbraw/zinc/89/50/38/1063895038.db2.gz OOUGOGUVIJTQMX-PKTZIBPZSA-N 1 1 459.587 2.831 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1)C(C)C ZINC001295865335 1063896585 /nfs/dbraw/zinc/89/65/85/1063896585.db2.gz BGJIRDVPPZXECK-UHFFFAOYSA-N 1 1 454.619 2.619 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371336 1063897350 /nfs/dbraw/zinc/89/73/50/1063897350.db2.gz LKMGNDDRELRXGI-CPJSRVTESA-N 1 1 473.618 2.543 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C ZINC001295865676 1063898591 /nfs/dbraw/zinc/89/85/91/1063898591.db2.gz NNSYVYQNQMCESO-QFIPXVFZSA-N 1 1 486.661 2.836 20 0 JFADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC001295865949 1063899013 /nfs/dbraw/zinc/89/90/13/1063899013.db2.gz HHZJXVWEUJJSPO-UHFFFAOYSA-N 1 1 499.641 2.555 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001291372299 1063900127 /nfs/dbraw/zinc/90/01/27/1063900127.db2.gz YUCLULBHFHJQTM-DHLKQENFSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001295868039 1063903840 /nfs/dbraw/zinc/90/38/40/1063903840.db2.gz DIOLPLYMXCQUGF-UHFFFAOYSA-N 1 1 497.669 2.966 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CC2)C(=O)C1)C(C)C ZINC001295868810 1063905931 /nfs/dbraw/zinc/90/59/31/1063905931.db2.gz XZOYBMOTHRYYCC-KDURUIRLSA-N 1 1 489.665 2.590 20 0 JFADMO CC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291377172 1063908470 /nfs/dbraw/zinc/90/84/70/1063908470.db2.gz IOCDVXJAFHJZQB-SANMLTNESA-N 1 1 497.644 2.640 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001295873308 1063910370 /nfs/dbraw/zinc/91/03/70/1063910370.db2.gz KOKQZQFPROYWOJ-SFHVURJKSA-N 1 1 490.674 2.750 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001295873308 1063910380 /nfs/dbraw/zinc/91/03/80/1063910380.db2.gz KOKQZQFPROYWOJ-SFHVURJKSA-N 1 1 490.674 2.750 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)C(C)C ZINC001295873612 1063910990 /nfs/dbraw/zinc/91/09/90/1063910990.db2.gz LPOOQYXEEZIZMM-HBMCJLEFSA-N 1 1 478.682 2.864 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291379381 1063914204 /nfs/dbraw/zinc/91/42/04/1063914204.db2.gz YPXFRTRIGMCXOT-PKTZIBPZSA-N 1 1 464.010 2.973 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001295877245 1063918127 /nfs/dbraw/zinc/91/81/27/1063918127.db2.gz ICVILJOYCGVOCA-LJQANCHMSA-N 1 1 460.604 2.585 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295878630 1063920528 /nfs/dbraw/zinc/92/05/28/1063920528.db2.gz QBBGMGJUGHGFJP-LJQANCHMSA-N 1 1 450.653 2.523 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001295881347 1063926733 /nfs/dbraw/zinc/92/67/33/1063926733.db2.gz NXEIPIVASOEVTL-OAQYLSRUSA-N 1 1 474.606 2.961 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291385784 1063931206 /nfs/dbraw/zinc/93/12/06/1063931206.db2.gz PVDNYRNJQKIZLZ-PNLZDCPESA-N 1 1 495.466 2.991 20 0 JFADMO CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896759 1063950173 /nfs/dbraw/zinc/95/01/73/1063950173.db2.gz KDQVSEHMATWWCN-OFNKIYASSA-N 1 1 494.644 2.731 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291399325 1063958406 /nfs/dbraw/zinc/95/84/06/1063958406.db2.gz JPOOMOFLBPZRIP-NBGIEHNGSA-N 1 1 466.634 2.507 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291402547 1063965869 /nfs/dbraw/zinc/96/58/69/1063965869.db2.gz ZKPAGVYWCUCWAE-OUIFVKKZSA-N 1 1 471.646 2.998 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291402657 1063965920 /nfs/dbraw/zinc/96/59/20/1063965920.db2.gz ALHPIEVNFGSSMX-BKSPAHHJSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291402657 1063965929 /nfs/dbraw/zinc/96/59/29/1063965929.db2.gz ALHPIEVNFGSSMX-BKSPAHHJSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291402660 1063965975 /nfs/dbraw/zinc/96/59/75/1063965975.db2.gz ALHPIEVNFGSSMX-WATLYSKOSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291402660 1063965984 /nfs/dbraw/zinc/96/59/84/1063965984.db2.gz ALHPIEVNFGSSMX-WATLYSKOSA-N 1 1 457.619 2.792 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291403111 1063967383 /nfs/dbraw/zinc/96/73/83/1063967383.db2.gz GTBGQAJBUHNNAN-HMHJJOSWSA-N 1 1 473.666 2.626 20 0 JFADMO CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC001295915304 1063967356 /nfs/dbraw/zinc/96/73/56/1063967356.db2.gz MTKNBSDCNTYMAX-SVFBPWRDSA-N 1 1 491.706 2.790 20 0 JFADMO CCn1cc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC001295933107 1063984944 /nfs/dbraw/zinc/98/49/44/1063984944.db2.gz MRBGHXRNPJEXQE-NRFANRHFSA-N 1 1 467.618 2.896 20 0 JFADMO CCn1cccc(Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295939366 1063992203 /nfs/dbraw/zinc/99/22/03/1063992203.db2.gz RAVJUFJWKZMKFF-SFHVURJKSA-N 1 1 471.005 2.985 20 0 JFADMO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001295958263 1064008019 /nfs/dbraw/zinc/00/80/19/1064008019.db2.gz WGJUXHYONABNTK-IBGZPJMESA-N 1 1 471.654 2.557 20 0 JFADMO CCn1cnnc1Cn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001295961271 1064011540 /nfs/dbraw/zinc/01/15/40/1064011540.db2.gz WUSCQAQRDFBDHD-INIZCTEOSA-N 1 1 489.422 2.524 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001291437974 1064017891 /nfs/dbraw/zinc/01/78/91/1064017891.db2.gz UZZMIOMCTRRIDQ-OAQYLSRUSA-N 1 1 485.677 2.866 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001295975475 1064019333 /nfs/dbraw/zinc/01/93/33/1064019333.db2.gz DJYREEHEWZOTMJ-VQTJNVASSA-N 1 1 472.634 2.604 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001291455778 1064021863 /nfs/dbraw/zinc/02/18/63/1064021863.db2.gz DHCYZQIOPBKMGN-HYBUGGRVSA-N 1 1 480.723 2.547 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(N2CCOCC2)CCSC1 ZINC001291455778 1064021865 /nfs/dbraw/zinc/02/18/65/1064021865.db2.gz DHCYZQIOPBKMGN-HYBUGGRVSA-N 1 1 480.723 2.547 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@H]1C ZINC001295976389 1064022003 /nfs/dbraw/zinc/02/20/03/1064022003.db2.gz CKBJWGZSMVVZAZ-SQNIBIBYSA-N 1 1 473.647 2.645 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C ZINC001295977438 1064023327 /nfs/dbraw/zinc/02/33/27/1064023327.db2.gz KPVVLVJNVVHYSE-WFXMLNOXSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C ZINC001295977438 1064023332 /nfs/dbraw/zinc/02/33/32/1064023332.db2.gz KPVVLVJNVVHYSE-WFXMLNOXSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025114 /nfs/dbraw/zinc/02/51/14/1064025114.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 1 1 480.455 2.675 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCN1CCOC1=O ZINC001291458845 1064025299 /nfs/dbraw/zinc/02/52/99/1064025299.db2.gz OTCICLUEJOCNGL-IRFCIJBXSA-N 1 1 472.638 2.887 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001295978697 1064026016 /nfs/dbraw/zinc/02/60/16/1064026016.db2.gz SOTOZSSCSKPMMB-IAGOWNOFSA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@H]1C ZINC001295978703 1064026095 /nfs/dbraw/zinc/02/60/95/1064026095.db2.gz SOTOZSSCSKPMMB-SJORKVTESA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001295978757 1064026476 /nfs/dbraw/zinc/02/64/76/1064026476.db2.gz LAPPRNJWDGJCRV-BCQCSXDESA-N 1 1 498.672 2.976 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978767 1064026546 /nfs/dbraw/zinc/02/65/46/1064026546.db2.gz LAPPRNJWDGJCRV-VHSZZVNMSA-N 1 1 498.672 2.976 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)C[C@H]1C ZINC001295979647 1064027976 /nfs/dbraw/zinc/02/79/76/1064027976.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C2CC2)C[C@H]1C ZINC001295979647 1064027984 /nfs/dbraw/zinc/02/79/84/1064027984.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029429 /nfs/dbraw/zinc/02/94/29/1064029429.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 1 1 497.688 2.604 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCn1nc(C)cc1C ZINC001291469761 1064030217 /nfs/dbraw/zinc/03/02/17/1064030217.db2.gz GYALCHJSGGSUFV-YDHSSHFGSA-N 1 1 470.666 2.684 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@H]1C ZINC001295980707 1064031014 /nfs/dbraw/zinc/03/10/14/1064031014.db2.gz PRZBTTOQBBNWPV-CEXWTWQISA-N 1 1 487.674 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@@H]1C ZINC001295980709 1064031043 /nfs/dbraw/zinc/03/10/43/1064031043.db2.gz PRZBTTOQBBNWPV-FHWLQOOXSA-N 1 1 487.674 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(F)(F)Br ZINC001291470745 1064031456 /nfs/dbraw/zinc/03/14/56/1064031456.db2.gz USGOVTXETVCEDH-DZKIICNBSA-N 1 1 477.398 2.768 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470772 1064032044 /nfs/dbraw/zinc/03/20/44/1064032044.db2.gz VDTDPMWOSWCFPN-YCRNBWNJSA-N 1 1 499.635 2.948 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@@H]1C ZINC001295981349 1064032079 /nfs/dbraw/zinc/03/20/79/1064032079.db2.gz RJPVOENBXIXXLU-SLFFLAALSA-N 1 1 462.664 2.830 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001291471050 1064032391 /nfs/dbraw/zinc/03/23/91/1064032391.db2.gz YLUXQXGLBMCJIV-KAKAJDSYSA-N 1 1 459.660 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@H]1C ZINC001295981814 1064033244 /nfs/dbraw/zinc/03/32/44/1064033244.db2.gz SAWTXMSGNFUEBT-HSALFYBXSA-N 1 1 478.663 2.503 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295982143 1064033610 /nfs/dbraw/zinc/03/36/10/1064033610.db2.gz WKBPQGSGTJRQHI-HOTGVXAUSA-N 1 1 468.693 2.843 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001295982171 1064034184 /nfs/dbraw/zinc/03/41/84/1064034184.db2.gz WMHQQJPGWRUOBB-UXHICEINSA-N 1 1 470.618 2.608 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291476825 1064035169 /nfs/dbraw/zinc/03/51/69/1064035169.db2.gz XAXXLSJRSCONTA-AIFLQVKLSA-N 1 1 462.683 2.838 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001295982638 1064036134 /nfs/dbraw/zinc/03/61/34/1064036134.db2.gz XKUXDDHZAFPCNB-IAGOWNOFSA-N 1 1 490.052 2.553 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C ZINC001295982639 1064036202 /nfs/dbraw/zinc/03/62/02/1064036202.db2.gz XKUXDDHZAFPCNB-IRXDYDNUSA-N 1 1 490.052 2.553 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001295982640 1064036246 /nfs/dbraw/zinc/03/62/46/1064036246.db2.gz XKUXDDHZAFPCNB-SJORKVTESA-N 1 1 490.052 2.553 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001295982797 1064036612 /nfs/dbraw/zinc/03/66/12/1064036612.db2.gz YJLJMJAPULDHCT-ABSDTBQOSA-N 1 1 461.010 2.959 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001295983156 1064036724 /nfs/dbraw/zinc/03/67/24/1064036724.db2.gz YJSLAMHKDBWRAC-IAGOWNOFSA-N 1 1 482.555 2.729 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC001295983447 1064038041 /nfs/dbraw/zinc/03/80/41/1064038041.db2.gz WEZKMFRZUCDIRN-NOMHHCBYSA-N 1 1 498.672 2.840 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001295983196 1064038413 /nfs/dbraw/zinc/03/84/13/1064038413.db2.gz YYBBHUFDDCQGOQ-RBUKOAKNSA-N 1 1 467.618 2.634 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@H]1C ZINC001295983216 1064038522 /nfs/dbraw/zinc/03/85/22/1064038522.db2.gz ZKCQJYMJTCOSAX-XQBPLPMBSA-N 1 1 497.644 2.501 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291482675 1064038616 /nfs/dbraw/zinc/03/86/16/1064038616.db2.gz UHWIDTAOJWSADX-IFMALSPDSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001295983535 1064039508 /nfs/dbraw/zinc/03/95/08/1064039508.db2.gz WTQIUMDBCUNFGW-SOUVJXGZSA-N 1 1 475.084 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984241 1064041796 /nfs/dbraw/zinc/04/17/96/1064041796.db2.gz YITHLWMBGBKEHH-FGTMMUONSA-N 1 1 480.704 2.886 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295984432 1064041833 /nfs/dbraw/zinc/04/18/33/1064041833.db2.gz MRONBGSVJFPIOP-JKSUJKDBSA-N 1 1 457.529 2.794 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291484778 1064041860 /nfs/dbraw/zinc/04/18/60/1064041860.db2.gz FBCUVBVNKUNNKW-HFJWLAOPSA-N 1 1 486.636 2.839 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984555 1064042479 /nfs/dbraw/zinc/04/24/79/1064042479.db2.gz ZUNHNORDWFWMRD-ULQDDVLXSA-N 1 1 485.054 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001295987339 1064043449 /nfs/dbraw/zinc/04/34/49/1064043449.db2.gz ZWIONJSETILBRB-BJLQDIEVSA-N 1 1 459.591 2.687 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001295987340 1064043515 /nfs/dbraw/zinc/04/35/15/1064043515.db2.gz ZWIONJSETILBRB-CMKODMSKSA-N 1 1 459.591 2.687 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001295989548 1064044530 /nfs/dbraw/zinc/04/45/30/1064044530.db2.gz BNQMJPDCIGJTSF-RTBURBONSA-N 1 1 463.586 2.698 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990173 1064044993 /nfs/dbraw/zinc/04/49/93/1064044993.db2.gz FGZJOXPOJXMEQL-DLBZAZTESA-N 1 1 489.671 2.607 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001295992907 1064047910 /nfs/dbraw/zinc/04/79/10/1064047910.db2.gz BKEIWXIGQWKEQT-BURNTYAHSA-N 1 1 492.665 2.727 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001295993522 1064048983 /nfs/dbraw/zinc/04/89/83/1064048983.db2.gz IJRYMAOWPSTXNQ-DLBZAZTESA-N 1 1 456.595 2.949 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993487 1064049006 /nfs/dbraw/zinc/04/90/06/1064049006.db2.gz HVJCVUMMHRLLTK-UXHICEINSA-N 1 1 464.618 2.822 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993554 1064049245 /nfs/dbraw/zinc/04/92/45/1064049245.db2.gz DBLDQAIIUXXABW-ACRUOGEOSA-N 1 1 465.639 2.651 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993558 1064049413 /nfs/dbraw/zinc/04/94/13/1064049413.db2.gz DBLDQAIIUXXABW-PCCBWWKXSA-N 1 1 465.639 2.651 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001295994439 1064050116 /nfs/dbraw/zinc/05/01/16/1064050116.db2.gz GOVPGYPKQJILGR-MOPGFXCFSA-N 1 1 462.664 2.764 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995186 1064051060 /nfs/dbraw/zinc/05/10/60/1064051060.db2.gz XPZYOUDDWQOGLR-CVEARBPZSA-N 1 1 474.411 2.703 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995770 1064051486 /nfs/dbraw/zinc/05/14/86/1064051486.db2.gz JKKFMJSHAIOOOT-OALUTQOASA-N 1 1 456.639 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996169 1064052241 /nfs/dbraw/zinc/05/22/41/1064052241.db2.gz MPDXMUYSAGJQJW-SJORKVTESA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996818 1064052682 /nfs/dbraw/zinc/05/26/82/1064052682.db2.gz NSOGWSCBTBSAHP-QZTJIDSGSA-N 1 1 481.601 2.923 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054250 /nfs/dbraw/zinc/05/42/50/1064054250.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 1 1 494.750 2.857 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001197 1064057032 /nfs/dbraw/zinc/05/70/32/1064057032.db2.gz GIDYNTAKJWDSMI-PMACEKPBSA-N 1 1 453.635 2.831 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003665 1064059392 /nfs/dbraw/zinc/05/93/92/1064059392.db2.gz VHXROIAJGRGEDF-ZWKOTPCHSA-N 1 1 451.575 2.643 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291508765 1064060206 /nfs/dbraw/zinc/06/02/06/1064060206.db2.gz QXBIIORMCBRWKN-FQEVSTJZSA-N 1 1 459.683 2.656 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007632 1064061154 /nfs/dbraw/zinc/06/11/54/1064061154.db2.gz FILVQVXZZJCZOS-MOPGFXCFSA-N 1 1 466.634 2.598 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001291509862 1064061250 /nfs/dbraw/zinc/06/12/50/1064061250.db2.gz KNDVKIFMADRHBO-HXUWFJFHSA-N 1 1 459.683 2.832 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061727 /nfs/dbraw/zinc/06/17/27/1064061727.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061731 /nfs/dbraw/zinc/06/17/31/1064061731.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061760 /nfs/dbraw/zinc/06/17/60/1064061760.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061764 /nfs/dbraw/zinc/06/17/64/1064061764.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296009601 1064065358 /nfs/dbraw/zinc/06/53/58/1064065358.db2.gz HDSIVMFPBWTKHX-UXHICEINSA-N 1 1 475.659 2.909 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009661 1064065734 /nfs/dbraw/zinc/06/57/34/1064065734.db2.gz ICJXELNFSJVYDW-OALUTQOASA-N 1 1 467.622 2.780 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296009802 1064066995 /nfs/dbraw/zinc/06/69/95/1064066995.db2.gz IGSKEPOUGHRQFL-QZTJIDSGSA-N 1 1 458.582 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001296009810 1064067021 /nfs/dbraw/zinc/06/70/21/1064067021.db2.gz IHENTXCBQOWWQC-GJZGRUSLSA-N 1 1 474.660 2.591 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010012 1064067321 /nfs/dbraw/zinc/06/73/21/1064067321.db2.gz JQVQLAADWZVIHE-VQTJNVASSA-N 1 1 474.654 2.973 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291514428 1064067572 /nfs/dbraw/zinc/06/75/72/1064067572.db2.gz SNBQGVRARBNONI-IEBWSBKVSA-N 1 1 454.685 2.820 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291514429 1064067623 /nfs/dbraw/zinc/06/76/23/1064067623.db2.gz SNBQGVRARBNONI-MJGOQNOKSA-N 1 1 454.685 2.820 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010831 1064069657 /nfs/dbraw/zinc/06/96/57/1064069657.db2.gz MJNHCLWDAFNKMR-RTBURBONSA-N 1 1 468.577 2.971 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001296010878 1064070062 /nfs/dbraw/zinc/07/00/62/1064070062.db2.gz MZXMNDBUIYLGBC-VQTJNVASSA-N 1 1 496.660 2.898 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010867 1064070216 /nfs/dbraw/zinc/07/02/16/1064070216.db2.gz MYOKQDXRPVEYKO-RTBURBONSA-N 1 1 499.626 2.984 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291517323 1064070422 /nfs/dbraw/zinc/07/04/22/1064070422.db2.gz SPZMTJXXUJNRDQ-WMZHIEFXSA-N 1 1 499.660 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013610 1064074603 /nfs/dbraw/zinc/07/46/03/1064074603.db2.gz OIAVSHUQTYOLNI-MXBUBSDBSA-N 1 1 476.666 2.760 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013589 1064074660 /nfs/dbraw/zinc/07/46/60/1064074660.db2.gz OEBRMOIGSFVZGX-LLINQDLYSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013589 1064074669 /nfs/dbraw/zinc/07/46/69/1064074669.db2.gz OEBRMOIGSFVZGX-LLINQDLYSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014526 1064075998 /nfs/dbraw/zinc/07/59/98/1064075998.db2.gz YCIVHOHWYKHTTD-ZWKOTPCHSA-N 1 1 473.622 2.671 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001296015210 1064076753 /nfs/dbraw/zinc/07/67/53/1064076753.db2.gz ZVBQFGKTCVSMJK-FCHUYYIVSA-N 1 1 478.645 2.765 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)Oc2ccccc21 ZINC001296016918 1064078229 /nfs/dbraw/zinc/07/82/29/1064078229.db2.gz VWJZHKLLRVUOCO-SFTDATJTSA-N 1 1 456.635 2.972 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017261 1064078734 /nfs/dbraw/zinc/07/87/34/1064078734.db2.gz XDNDXMMQPORKAC-MOPGFXCFSA-N 1 1 491.658 2.609 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017264 1064078845 /nfs/dbraw/zinc/07/88/45/1064078845.db2.gz XDNDXMMQPORKAC-RTBURBONSA-N 1 1 491.658 2.609 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)Oc2ccccc21 ZINC001296017481 1064079667 /nfs/dbraw/zinc/07/96/67/1064079667.db2.gz GJRKPHRXTLDTBT-PMACEKPBSA-N 1 1 469.634 2.683 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001291539033 1064080260 /nfs/dbraw/zinc/08/02/60/1064080260.db2.gz YZGCSIIWHQTARS-MSOLQXFVSA-N 1 1 480.704 2.677 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001291539691 1064081664 /nfs/dbraw/zinc/08/16/64/1064081664.db2.gz HYEYQYFUUHIHBE-QUCCMNQESA-N 1 1 452.669 2.670 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001296031026 1064088724 /nfs/dbraw/zinc/08/87/24/1064088724.db2.gz OYQZJWLFURJFEQ-GOSISDBHSA-N 1 1 470.593 2.997 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001291550704 1064090042 /nfs/dbraw/zinc/09/00/42/1064090042.db2.gz VLUSZRRZNTYTQU-QFBILLFUSA-N 1 1 457.604 2.742 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001296033165 1064091435 /nfs/dbraw/zinc/09/14/35/1064091435.db2.gz KNSOTCPDKVKIJW-RBBKRZOGSA-N 1 1 467.618 2.594 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034434 1064093122 /nfs/dbraw/zinc/09/31/22/1064093122.db2.gz VCPZPTKLYHIGRO-SFTDATJTSA-N 1 1 469.634 2.838 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001296034996 1064093906 /nfs/dbraw/zinc/09/39/06/1064093906.db2.gz ACBJPNBXXSHOKR-GJZGRUSLSA-N 1 1 479.398 2.855 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(-n2cncn2)c1 ZINC001291566086 1064094148 /nfs/dbraw/zinc/09/41/48/1064094148.db2.gz BOAVEQUFJNDDDK-OAQYLSRUSA-N 1 1 493.660 2.801 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(-n2cncn2)c1 ZINC001291566086 1064094156 /nfs/dbraw/zinc/09/41/56/1064094156.db2.gz BOAVEQUFJNDDDK-OAQYLSRUSA-N 1 1 493.660 2.801 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001291566922 1064094489 /nfs/dbraw/zinc/09/44/89/1064094489.db2.gz FTSWVMYKFHCUKC-OALUTQOASA-N 1 1 452.669 2.528 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001291566560 1064094497 /nfs/dbraw/zinc/09/44/97/1064094497.db2.gz DRJQUNPIUDNVPS-LJQANCHMSA-N 1 1 454.685 2.918 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001296036198 1064095729 /nfs/dbraw/zinc/09/57/29/1064095729.db2.gz HGVRKRWXOGPYJY-HOTGVXAUSA-N 1 1 491.434 2.725 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001296036468 1064096211 /nfs/dbraw/zinc/09/62/11/1064096211.db2.gz KKILAFNIVOTFJN-PMACEKPBSA-N 1 1 484.645 2.997 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001296037874 1064097917 /nfs/dbraw/zinc/09/79/17/1064097917.db2.gz MOQHPIBYJWNETH-DLBZAZTESA-N 1 1 462.545 2.980 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001291576636 1064099768 /nfs/dbraw/zinc/09/97/68/1064099768.db2.gz LRVLLFATMQCOLL-IPMKNSEASA-N 1 1 466.623 2.548 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001296039743 1064099837 /nfs/dbraw/zinc/09/98/37/1064099837.db2.gz SUEVIDSRUWPKNZ-QUCCMNQESA-N 1 1 491.658 2.706 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296040951 1064100835 /nfs/dbraw/zinc/10/08/35/1064100835.db2.gz ZUNQHROCXXRFAY-VFNWGFHPSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001296041373 1064101380 /nfs/dbraw/zinc/10/13/80/1064101380.db2.gz CBJMJHQWCNUVOJ-DLBZAZTESA-N 1 1 478.544 2.817 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291577591 1064101755 /nfs/dbraw/zinc/10/17/55/1064101755.db2.gz IWFCZECIGKZERJ-HXUWFJFHSA-N 1 1 485.677 2.991 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043462 1064102680 /nfs/dbraw/zinc/10/26/80/1064102680.db2.gz VJYFLVIFADTEAB-WMZOPIPTSA-N 1 1 461.408 2.970 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296044496 1064104140 /nfs/dbraw/zinc/10/41/40/1064104140.db2.gz DMNKVYCEBLEQEK-IBGZPJMESA-N 1 1 463.623 2.753 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001291578579 1064104158 /nfs/dbraw/zinc/10/41/58/1064104158.db2.gz FHJROYUTDQCGJS-JENIJYKNSA-N 1 1 475.663 2.747 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001296044322 1064104153 /nfs/dbraw/zinc/10/41/53/1064104153.db2.gz CIIXWBASKWYYMM-MRXNPFEDSA-N 1 1 454.516 2.876 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001296045674 1064106153 /nfs/dbraw/zinc/10/61/53/1064106153.db2.gz LIEFXWJDVAMFAL-CMKODMSKSA-N 1 1 461.632 2.725 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001296045676 1064106220 /nfs/dbraw/zinc/10/62/20/1064106220.db2.gz LIEFXWJDVAMFAL-WSTZPKSXSA-N 1 1 461.632 2.725 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001296046809 1064106511 /nfs/dbraw/zinc/10/65/11/1064106511.db2.gz PKHQUMINULLKDR-CVEARBPZSA-N 1 1 484.464 2.947 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579683 1064106658 /nfs/dbraw/zinc/10/66/58/1064106658.db2.gz KHYRKLLMHVTAEZ-XMSQKQJNSA-N 1 1 467.618 2.541 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001296048271 1064107495 /nfs/dbraw/zinc/10/74/95/1064107495.db2.gz BOAIKWHDGQJJKU-OAQYLSRUSA-N 1 1 455.607 2.520 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)C1 ZINC001296048718 1064108833 /nfs/dbraw/zinc/10/88/33/1064108833.db2.gz DEXSDYMXDVFJAS-NHCUHLMSSA-N 1 1 455.603 2.803 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001296050404 1064110032 /nfs/dbraw/zinc/11/00/32/1064110032.db2.gz RALNDRQPBWQEBI-JOCHJYFZSA-N 1 1 488.702 2.655 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001296050470 1064110307 /nfs/dbraw/zinc/11/03/07/1064110307.db2.gz RLTWRSFTFDYFRW-SFHVURJKSA-N 1 1 461.010 2.911 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001296050484 1064110458 /nfs/dbraw/zinc/11/04/58/1064110458.db2.gz RMEDYCZPODIJRO-OAQYLSRUSA-N 1 1 453.635 2.689 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296051371 1064111348 /nfs/dbraw/zinc/11/13/48/1064111348.db2.gz DPUBZLQPCYLOHL-GOSISDBHSA-N 1 1 479.622 2.742 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291581577 1064111594 /nfs/dbraw/zinc/11/15/94/1064111594.db2.gz QTFLWNOXVOXHDX-GGAORHGYSA-N 1 1 468.646 2.991 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296051418 1064111752 /nfs/dbraw/zinc/11/17/52/1064111752.db2.gz FHTXNJZWUJSSRP-UXHICEINSA-N 1 1 472.638 2.585 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001296051523 1064111873 /nfs/dbraw/zinc/11/18/73/1064111873.db2.gz GMZLKVDKDAZUQK-PXNSSMCTSA-N 1 1 494.434 2.813 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296051794 1064112444 /nfs/dbraw/zinc/11/24/44/1064112444.db2.gz KAWKBZFHMFUBJB-FQEVSTJZSA-N 1 1 470.618 2.655 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291582214 1064113596 /nfs/dbraw/zinc/11/35/96/1064113596.db2.gz ZMGNLDVDFJSFIW-REWPJTCUSA-N 1 1 468.646 2.711 20 0 JFADMO CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296052340 1064113852 /nfs/dbraw/zinc/11/38/52/1064113852.db2.gz QMBCIXJXCQTWBL-NHCUHLMSSA-N 1 1 475.659 2.829 20 0 JFADMO CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296052341 1064114019 /nfs/dbraw/zinc/11/40/19/1064114019.db2.gz QMBCIXJXCQTWBL-RTWAWAEBSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296055223 1064116668 /nfs/dbraw/zinc/11/66/68/1064116668.db2.gz FKMPYMNSBXTIEG-DFIYOIEZSA-N 1 1 492.665 2.764 20 0 JFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC001291586454 1064119763 /nfs/dbraw/zinc/11/97/63/1064119763.db2.gz QKHIQSLMTHXEKF-UHFFFAOYSA-N 1 1 452.828 2.868 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296057475 1064119887 /nfs/dbraw/zinc/11/98/87/1064119887.db2.gz YXZFAVDQDXPPKC-UGNRZPKXSA-N 1 1 475.556 2.817 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 ZINC001296057477 1064119905 /nfs/dbraw/zinc/11/99/05/1064119905.db2.gz YYMUGBASRGOAKS-FCMAGTKHSA-N 1 1 492.665 2.631 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001296059310 1064122208 /nfs/dbraw/zinc/12/22/08/1064122208.db2.gz CCSNETCKMRPYAS-WOJBJXKFSA-N 1 1 461.632 2.838 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291590722 1064124676 /nfs/dbraw/zinc/12/46/76/1064124676.db2.gz SIYGKEKKQGAXKG-VXKWHMMOSA-N 1 1 475.682 2.876 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296060270 1064124842 /nfs/dbraw/zinc/12/48/42/1064124842.db2.gz LNAMUNHOAJKIML-IEBWSBKVSA-N 1 1 474.581 2.512 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC001296060446 1064125227 /nfs/dbraw/zinc/12/52/27/1064125227.db2.gz BEDJWJGDRAKITP-OALUTQOASA-N 1 1 479.622 2.599 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001296060546 1064125703 /nfs/dbraw/zinc/12/57/03/1064125703.db2.gz QXOICQCFVFDMRM-JENIJYKNSA-N 1 1 479.647 2.704 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCn1cc[nH+]c1C ZINC001291591253 1064126888 /nfs/dbraw/zinc/12/68/88/1064126888.db2.gz DKFMVTIIUIHFOY-SIKLNZKXSA-N 1 1 464.618 2.735 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCn1cc[nH+]c1C ZINC001291591254 1064126894 /nfs/dbraw/zinc/12/68/94/1064126894.db2.gz DKFMVTIIUIHFOY-UGKGYDQZSA-N 1 1 464.618 2.735 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001296061348 1064127230 /nfs/dbraw/zinc/12/72/30/1064127230.db2.gz KMWLGOCBVUILSA-QGZVFWFLSA-N 1 1 465.524 2.719 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291592823 1064127379 /nfs/dbraw/zinc/12/73/79/1064127379.db2.gz NEPMDCLAVFRADA-YKSBVNFPSA-N 1 1 494.706 2.914 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC1CC1)C1CCCCC1 ZINC001296061834 1064127645 /nfs/dbraw/zinc/12/76/45/1064127645.db2.gz RDCVVHAQUGVTTJ-XLIONFOSSA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291593144 1064127877 /nfs/dbraw/zinc/12/78/77/1064127877.db2.gz ATQZPZKLEQUDOE-UXHICEINSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 ZINC001296062638 1064128701 /nfs/dbraw/zinc/12/87/01/1064128701.db2.gz TYAFTVKRJFILLH-TZIWHRDSSA-N 1 1 460.598 2.810 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)CC1 ZINC001296063146 1064129238 /nfs/dbraw/zinc/12/92/38/1064129238.db2.gz VJTJBZWQXGGAIQ-HNNXBMFYSA-N 1 1 470.412 2.900 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291593441 1064129283 /nfs/dbraw/zinc/12/92/83/1064129283.db2.gz QLNMCRKLRYDOEM-FIXSFTCYSA-N 1 1 497.688 2.641 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296063743 1064130061 /nfs/dbraw/zinc/13/00/61/1064130061.db2.gz YIDYBDXLOGTMTE-IEBWSBKVSA-N 1 1 471.631 2.613 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296063805 1064130425 /nfs/dbraw/zinc/13/04/25/1064130425.db2.gz ZJNAGVYCTDLTHP-PKOBYXMFSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296067628 1064132805 /nfs/dbraw/zinc/13/28/05/1064132805.db2.gz KGGAAYYMVMCUGG-UXHICEINSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001296067699 1064132817 /nfs/dbraw/zinc/13/28/17/1064132817.db2.gz KPFDVQOLCISJKL-UXHICEINSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001296068407 1064134387 /nfs/dbraw/zinc/13/43/87/1064134387.db2.gz ORFZDEVAUHTLTK-KCZVDYSFSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001296068631 1064134829 /nfs/dbraw/zinc/13/48/29/1064134829.db2.gz QKQOGKYANORMMX-SESVDKBCSA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001296068623 1064134843 /nfs/dbraw/zinc/13/48/43/1064134843.db2.gz QIQBZHVPOUSPAP-XUVXKRRUSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001296068840 1064135154 /nfs/dbraw/zinc/13/51/54/1064135154.db2.gz SKPRIXGFXPMNRY-IPMKNSEASA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001296071493 1064135922 /nfs/dbraw/zinc/13/59/22/1064135922.db2.gz HQQFYGCJPGFQHK-UEXGIBASSA-N 1 1 461.680 2.664 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001296072383 1064136624 /nfs/dbraw/zinc/13/66/24/1064136624.db2.gz NAENECNEGYUFEE-CTNGQTDRSA-N 1 1 492.665 2.600 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001296072288 1064136645 /nfs/dbraw/zinc/13/66/45/1064136645.db2.gz BQEVYXAVTFTLDL-LJQANCHMSA-N 1 1 491.434 2.772 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291601436 1064137004 /nfs/dbraw/zinc/13/70/04/1064137004.db2.gz FJOYIRBENCRPRG-RBBKRZOGSA-N 1 1 456.635 2.974 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001296073125 1064137979 /nfs/dbraw/zinc/13/79/79/1064137979.db2.gz BYMOZIJQPPPKTF-SFHVURJKSA-N 1 1 458.611 2.540 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(=O)(=O)CC ZINC001296073451 1064138543 /nfs/dbraw/zinc/13/85/43/1064138543.db2.gz FDTHWDOZWJOMGF-IPMKNSEASA-N 1 1 455.669 2.552 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291605577 1064141555 /nfs/dbraw/zinc/14/15/55/1064141555.db2.gz JUZYKLWPOJMUNQ-HBMCJLEFSA-N 1 1 482.677 2.980 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1C(C)(C)C ZINC001296075134 1064142081 /nfs/dbraw/zinc/14/20/81/1064142081.db2.gz NGDIRZAVONLTEY-HXUWFJFHSA-N 1 1 474.675 2.879 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296075682 1064142689 /nfs/dbraw/zinc/14/26/89/1064142689.db2.gz PVXPUCJOMXDDBD-SFHVURJKSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)OC)CC1 ZINC001296075875 1064143963 /nfs/dbraw/zinc/14/39/63/1064143963.db2.gz XWWXDAZLALNKRT-FQEVSTJZSA-N 1 1 456.591 2.847 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001296076060 1064144496 /nfs/dbraw/zinc/14/44/96/1064144496.db2.gz SIQSDSJZNQEFNR-OAQYLSRUSA-N 1 1 457.598 2.756 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296076044 1064144509 /nfs/dbraw/zinc/14/45/09/1064144509.db2.gz SDPJDLDSZUHMOG-HBMCJLEFSA-N 1 1 489.665 2.592 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001296079127 1064146076 /nfs/dbraw/zinc/14/60/76/1064146076.db2.gz CFPHGZRFWDWAJT-CZTZKLFOSA-N 1 1 492.665 2.971 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 ZINC001296079168 1064146096 /nfs/dbraw/zinc/14/60/96/1064146096.db2.gz CMCZYRXCRKAXLA-WOJBJXKFSA-N 1 1 461.010 2.961 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001296079134 1064146109 /nfs/dbraw/zinc/14/61/09/1064146109.db2.gz CFPHGZRFWDWAJT-SYYKKAFVSA-N 1 1 492.665 2.971 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001296079609 1064147352 /nfs/dbraw/zinc/14/73/52/1064147352.db2.gz GXFGIANWBUGSFB-NRFANRHFSA-N 1 1 474.053 2.683 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001296080216 1064147554 /nfs/dbraw/zinc/14/75/54/1064147554.db2.gz LEPREPJUWISWFE-QRVBRYPASA-N 1 1 470.684 2.547 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291610788 1064148248 /nfs/dbraw/zinc/14/82/48/1064148248.db2.gz PRSWLYBBFOGAQQ-UXHICEINSA-N 1 1 458.630 2.678 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296081430 1064149330 /nfs/dbraw/zinc/14/93/30/1064149330.db2.gz UBZVWYUHDRXRJF-IEBWSBKVSA-N 1 1 450.591 2.910 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291613179 1064150448 /nfs/dbraw/zinc/15/04/48/1064150448.db2.gz CWENELDNXUKMRN-CTNGQTDRSA-N 1 1 486.665 2.582 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291613181 1064150863 /nfs/dbraw/zinc/15/08/63/1064150863.db2.gz CWENELDNXUKMRN-PZJWPPBQSA-N 1 1 486.665 2.582 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291613497 1064150891 /nfs/dbraw/zinc/15/08/91/1064150891.db2.gz FXAOHKRWPHQXLK-DENIHFKCSA-N 1 1 470.666 2.762 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614263 1064151880 /nfs/dbraw/zinc/15/18/80/1064151880.db2.gz JOYIURRBCURQAG-SESVDKBCSA-N 1 1 486.665 2.725 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296084735 1064152222 /nfs/dbraw/zinc/15/22/22/1064152222.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296084735 1064152226 /nfs/dbraw/zinc/15/22/26/1064152226.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084959 1064152888 /nfs/dbraw/zinc/15/28/88/1064152888.db2.gz BLIPIALLZVIYSH-PMACEKPBSA-N 1 1 489.665 2.545 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001296086304 1064153963 /nfs/dbraw/zinc/15/39/63/1064153963.db2.gz HPOGZFUZWDHPBF-CTNGQTDRSA-N 1 1 459.683 2.530 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296086411 1064154446 /nfs/dbraw/zinc/15/44/46/1064154446.db2.gz ATMMBPVENQVCOX-IBGZPJMESA-N 1 1 491.036 2.777 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291617022 1064155026 /nfs/dbraw/zinc/15/50/26/1064155026.db2.gz NVAQDHFEUYHSQR-RBUKOAKNSA-N 1 1 463.696 2.642 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291617021 1064155048 /nfs/dbraw/zinc/15/50/48/1064155048.db2.gz NVAQDHFEUYHSQR-OALUTQOASA-N 1 1 463.696 2.642 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001296086932 1064155494 /nfs/dbraw/zinc/15/54/94/1064155494.db2.gz CEUDNGKBVAOKFC-QZTJIDSGSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001296087306 1064156136 /nfs/dbraw/zinc/15/61/36/1064156136.db2.gz DTUSPBGVDBVDJY-PZJWPPBQSA-N 1 1 490.674 2.685 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291619339 1064157780 /nfs/dbraw/zinc/15/77/80/1064157780.db2.gz CIMJNQVQXLCJRY-QHAWAJNXSA-N 1 1 461.699 2.758 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296088425 1064158873 /nfs/dbraw/zinc/15/88/73/1064158873.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296088425 1064158877 /nfs/dbraw/zinc/15/88/77/1064158877.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620880 1064160332 /nfs/dbraw/zinc/16/03/32/1064160332.db2.gz LKKHYJAJDKWFRO-FQEVSTJZSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620880 1064160336 /nfs/dbraw/zinc/16/03/36/1064160336.db2.gz LKKHYJAJDKWFRO-FQEVSTJZSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620880 1064160339 /nfs/dbraw/zinc/16/03/39/1064160339.db2.gz LKKHYJAJDKWFRO-FQEVSTJZSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621869 1064162279 /nfs/dbraw/zinc/16/22/79/1064162279.db2.gz PZDKPSHMYYMIIN-RBUKOAKNSA-N 1 1 454.619 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001296091892 1064163624 /nfs/dbraw/zinc/16/36/24/1064163624.db2.gz DOOKBJIBAWUWMO-OAQYLSRUSA-N 1 1 470.618 2.835 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001296091891 1064163652 /nfs/dbraw/zinc/16/36/52/1064163652.db2.gz DOOKBJIBAWUWMO-NRFANRHFSA-N 1 1 470.618 2.835 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001296092196 1064164157 /nfs/dbraw/zinc/16/41/57/1064164157.db2.gz GSIQXWOTUCJJGP-FGZHOGPDSA-N 1 1 453.635 2.879 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296092682 1064165058 /nfs/dbraw/zinc/16/50/58/1064165058.db2.gz JPMQSLUTFJIHHC-FPOVZHCZSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001296092650 1064165099 /nfs/dbraw/zinc/16/50/99/1064165099.db2.gz JFNXNQURJFTKKS-NRFANRHFSA-N 1 1 481.645 2.967 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 ZINC001296093564 1064165615 /nfs/dbraw/zinc/16/56/15/1064165615.db2.gz PLNNZDNGXAWCSJ-NRFANRHFSA-N 1 1 454.619 2.736 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296094667 1064166660 /nfs/dbraw/zinc/16/66/60/1064166660.db2.gz CTOVDTPBLACOSN-MQSCRBSSSA-N 1 1 485.629 2.709 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001296095341 1064168365 /nfs/dbraw/zinc/16/83/65/1064168365.db2.gz HTUJHIDHBBVEEK-QFIPXVFZSA-N 1 1 472.682 2.561 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095377 1064168402 /nfs/dbraw/zinc/16/84/02/1064168402.db2.gz IMAWYVAWZARIFN-ICSRJNTNSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296096026 1064169270 /nfs/dbraw/zinc/16/92/70/1064169270.db2.gz KYXACOWEQIGYFY-DVECYGJZSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001291628337 1064171132 /nfs/dbraw/zinc/17/11/32/1064171132.db2.gz BAQBJWOMJABECM-OOMBGRCJSA-N 1 1 471.694 2.870 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097890 1064171233 /nfs/dbraw/zinc/17/12/33/1064171233.db2.gz TXVBKGHJGIZTIN-MOPGFXCFSA-N 1 1 474.610 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296098364 1064171257 /nfs/dbraw/zinc/17/12/57/1064171257.db2.gz XKHOTUBTGAMCOI-HOYKHHGWSA-N 1 1 458.582 2.833 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296098690 1064172195 /nfs/dbraw/zinc/17/21/95/1064172195.db2.gz ZPHYWGDQFTYAQI-SFHVURJKSA-N 1 1 469.556 2.908 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629211 1064173476 /nfs/dbraw/zinc/17/34/76/1064173476.db2.gz ILDQYOUTUVZNGR-UPVQGACJSA-N 1 1 484.689 2.883 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001291630264 1064175919 /nfs/dbraw/zinc/17/59/19/1064175919.db2.gz RYXCZEIZIAZPTM-RTWAWAEBSA-N 1 1 459.683 2.799 20 0 JFADMO CCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001296102069 1064177590 /nfs/dbraw/zinc/17/75/90/1064177590.db2.gz CGGPSMFINYDRIL-UHFFFAOYSA-N 1 1 480.455 2.835 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001291631514 1064178755 /nfs/dbraw/zinc/17/87/55/1064178755.db2.gz WBUPZAXMFXNHDP-FCHUYYIVSA-N 1 1 459.683 2.801 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291632811 1064182169 /nfs/dbraw/zinc/18/21/69/1064182169.db2.gz WDZRLHRROYSTBK-LEWJYISDSA-N 1 1 496.660 2.748 20 0 JFADMO CCN1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001296108771 1064187212 /nfs/dbraw/zinc/18/72/12/1064187212.db2.gz NQZNRBINHWLASO-UHFFFAOYSA-N 1 1 464.618 2.920 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639559 1064187575 /nfs/dbraw/zinc/18/75/75/1064187575.db2.gz NLSJTUFCMBPNKG-KNQAVFIVSA-N 1 1 459.614 2.605 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639700 1064187930 /nfs/dbraw/zinc/18/79/30/1064187930.db2.gz ODBMEQCSPRYSQD-NZQKXSOJSA-N 1 1 455.651 2.775 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639704 1064188036 /nfs/dbraw/zinc/18/80/36/1064188036.db2.gz ODBMEQCSPRYSQD-REWPJTCUSA-N 1 1 455.651 2.775 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641700 1064191356 /nfs/dbraw/zinc/19/13/56/1064191356.db2.gz DLLYULMSZMTXOP-NJYVYQBISA-N 1 1 457.671 2.548 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642597 1064192331 /nfs/dbraw/zinc/19/23/31/1064192331.db2.gz LPUHSATYTUDIJA-YADHBBJMSA-N 1 1 484.693 2.534 20 0 JFADMO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001296114532 1064195813 /nfs/dbraw/zinc/19/58/13/1064195813.db2.gz YQSFJCHPHKPDIE-VWNXMTODSA-N 1 1 453.558 2.624 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCn1cc[nH+]c1C ZINC001291643796 1064196045 /nfs/dbraw/zinc/19/60/45/1064196045.db2.gz KZKKUFJQIAAKFI-QGZVFWFLSA-N 1 1 475.594 2.647 20 0 JFADMO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296116488 1064196824 /nfs/dbraw/zinc/19/68/24/1064196824.db2.gz FIPQAGXDAWFOOZ-LJQANCHMSA-N 1 1 470.666 2.709 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccn4)n3CC(O)(CC)CC)CC2)CC1 ZINC001296118576 1064200986 /nfs/dbraw/zinc/20/09/86/1064200986.db2.gz FCVRFXWBLBYGLT-UHFFFAOYSA-N 1 1 497.688 2.586 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccncc4)n3CCCSC)CC2)CC1 ZINC001296118508 1064201001 /nfs/dbraw/zinc/20/10/01/1064201001.db2.gz CWIRWSNHZNVALF-UHFFFAOYSA-N 1 1 485.702 2.788 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CC3([S@@](C)=O)CCC3)CC2)CC1 ZINC001296118644 1064201357 /nfs/dbraw/zinc/20/13/57/1064201357.db2.gz GGFHPEIRZSOZDU-UUWRZZSWSA-N 1 1 492.734 2.647 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](C)SC)CC2)CC1 ZINC001296118803 1064202328 /nfs/dbraw/zinc/20/23/28/1064202328.db2.gz KJNHILXXOXYLDV-PZJWPPBQSA-N 1 1 478.707 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650039 1064203118 /nfs/dbraw/zinc/20/31/18/1064203118.db2.gz PBOIBFMIPPVKNF-QUCCMNQESA-N 1 1 460.648 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291649898 1064203147 /nfs/dbraw/zinc/20/31/47/1064203147.db2.gz JRJXNWIGUWIMOG-BDTNDASRSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CCCC4)n3C[C@@H](C)COC)CC2)CC1 ZINC001296119102 1064203476 /nfs/dbraw/zinc/20/34/76/1064203476.db2.gz OVXBHNJDAHQSLT-HXUWFJFHSA-N 1 1 460.667 2.989 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650040 1064203497 /nfs/dbraw/zinc/20/34/97/1064203497.db2.gz PBOIBFMIPPVKNF-UYAOXDASSA-N 1 1 460.648 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651285 1064204636 /nfs/dbraw/zinc/20/46/36/1064204636.db2.gz XISIHYWITBDPHL-CEXWTWQISA-N 1 1 450.628 2.815 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651285 1064204648 /nfs/dbraw/zinc/20/46/48/1064204648.db2.gz XISIHYWITBDPHL-CEXWTWQISA-N 1 1 450.628 2.815 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](C)COC)CC2)CC1 ZINC001296119790 1064205937 /nfs/dbraw/zinc/20/59/37/1064205937.db2.gz XAYFCKINMFCUHQ-UNMCSNQZSA-N 1 1 476.666 2.573 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119852 1064206334 /nfs/dbraw/zinc/20/63/34/1064206334.db2.gz BQUJEYTZECZUPF-QZTJIDSGSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120553 1064210083 /nfs/dbraw/zinc/21/00/83/1064210083.db2.gz JLEBYOQEMYQGTA-FCHUYYIVSA-N 1 1 467.662 2.917 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291666205 1064210829 /nfs/dbraw/zinc/21/08/29/1064210829.db2.gz AXHBEIRGUMRQKM-RBUKOAKNSA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291666205 1064210836 /nfs/dbraw/zinc/21/08/36/1064210836.db2.gz AXHBEIRGUMRQKM-RBUKOAKNSA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291666206 1064210864 /nfs/dbraw/zinc/21/08/64/1064210864.db2.gz AXHBEIRGUMRQKM-RTBURBONSA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291666206 1064210873 /nfs/dbraw/zinc/21/08/73/1064210873.db2.gz AXHBEIRGUMRQKM-RTBURBONSA-N 1 1 480.654 2.632 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121194 1064211718 /nfs/dbraw/zinc/21/17/18/1064211718.db2.gz NBSKBDSOPWGFOO-QUVATAORSA-N 1 1 497.688 2.863 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121508 1064212790 /nfs/dbraw/zinc/21/27/90/1064212790.db2.gz PFBIWHKLAMHZKM-SFHVURJKSA-N 1 1 457.026 2.994 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121613 1064213188 /nfs/dbraw/zinc/21/31/88/1064213188.db2.gz QQJRJLDHZNTIRJ-NRFANRHFSA-N 1 1 455.651 2.763 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291672345 1064214083 /nfs/dbraw/zinc/21/40/83/1064214083.db2.gz QCEZFUGHMUQADB-NHCUHLMSSA-N 1 1 493.697 2.549 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122263 1064214238 /nfs/dbraw/zinc/21/42/38/1064214238.db2.gz UXXYOSXIORRAMS-UXHICEINSA-N 1 1 463.671 2.873 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296122566 1064214965 /nfs/dbraw/zinc/21/49/65/1064214965.db2.gz XTMPBYDRNBDXNL-ROKPMTFOSA-N 1 1 486.661 2.850 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296122349 1064214989 /nfs/dbraw/zinc/21/49/89/1064214989.db2.gz VXNAINAMJUSWDV-RTBURBONSA-N 1 1 474.053 2.682 20 0 JFADMO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291679979 1064216303 /nfs/dbraw/zinc/21/63/03/1064216303.db2.gz BXPSYUPHPTVQPW-VQTJNVASSA-N 1 1 478.707 2.837 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124153 1064216657 /nfs/dbraw/zinc/21/66/57/1064216657.db2.gz FPPCLNXUPGSWED-QGZVFWFLSA-N 1 1 480.032 2.724 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124180 1064216768 /nfs/dbraw/zinc/21/67/68/1064216768.db2.gz FYBDUGVCPZOLGR-LJQANCHMSA-N 1 1 497.585 2.994 20 0 JFADMO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291682311 1064216769 /nfs/dbraw/zinc/21/67/69/1064216769.db2.gz LFCVUTDIUGHELV-FQEVSTJZSA-N 1 1 480.723 2.755 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124788 1064217487 /nfs/dbraw/zinc/21/74/87/1064217487.db2.gz ITHNUTRDLMBZQU-IEBWSBKVSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124801 1064217512 /nfs/dbraw/zinc/21/75/12/1064217512.db2.gz JDFYGJZAXQNPMJ-PMACEKPBSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296125169 1064217856 /nfs/dbraw/zinc/21/78/56/1064217856.db2.gz LDWIREGLSNHEEC-MSOLQXFVSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296126074 1064220034 /nfs/dbraw/zinc/22/00/34/1064220034.db2.gz PESCVULLQVOMRF-RTWAWAEBSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296126072 1064220144 /nfs/dbraw/zinc/22/01/44/1064220144.db2.gz PESCVULLQVOMRF-LEWJYISDSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296126465 1064220778 /nfs/dbraw/zinc/22/07/78/1064220778.db2.gz QKPMUZBDWAGCID-RTBURBONSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296126851 1064221149 /nfs/dbraw/zinc/22/11/49/1064221149.db2.gz RYJIXMIUSMDOAF-VIZSFHNOSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127633 1064222107 /nfs/dbraw/zinc/22/21/07/1064222107.db2.gz VWXDPZGDNVRTED-HXUWFJFHSA-N 1 1 479.595 2.964 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129856 1064223305 /nfs/dbraw/zinc/22/33/05/1064223305.db2.gz BZNVUJPIVSYGSX-UNMCSNQZSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296130108 1064223825 /nfs/dbraw/zinc/22/38/25/1064223825.db2.gz BYYUJECRTULELH-QHCPKHFHSA-N 1 1 483.705 2.976 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131349 1064225088 /nfs/dbraw/zinc/22/50/88/1064225088.db2.gz JKDXLXBANAYMBN-QZTJIDSGSA-N 1 1 467.456 2.687 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131354 1064225443 /nfs/dbraw/zinc/22/54/43/1064225443.db2.gz JVHITCFGRUROKN-HXUWFJFHSA-N 1 1 494.688 2.890 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291720400 1064227368 /nfs/dbraw/zinc/22/73/68/1064227368.db2.gz OOPVOQOKNUHFLY-UWHLTILDSA-N 1 1 498.738 2.850 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132071 1064228387 /nfs/dbraw/zinc/22/83/87/1064228387.db2.gz QOLPGHIPESAFCJ-GOSISDBHSA-N 1 1 490.599 2.563 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291732295 1064230617 /nfs/dbraw/zinc/23/06/17/1064230617.db2.gz IRYAUOMTYBLUFD-IEGUWTFLSA-N 1 1 450.628 2.899 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132789 1064231528 /nfs/dbraw/zinc/23/15/28/1064231528.db2.gz RTODUPXOLJHQKH-UZLBHIALSA-N 1 1 478.016 2.684 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296133377 1064233688 /nfs/dbraw/zinc/23/36/88/1064233688.db2.gz TXTJQLGFGWDREA-GMKZXUHWSA-N 1 1 470.662 2.676 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133609 1064234367 /nfs/dbraw/zinc/23/43/67/1064234367.db2.gz JRIRCMOFBUVZOW-IBGZPJMESA-N 1 1 476.691 2.642 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291751873 1064234890 /nfs/dbraw/zinc/23/48/90/1064234890.db2.gz GNKQDGGGGGPGQT-GOSISDBHSA-N 1 1 477.654 2.738 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752386 1064235152 /nfs/dbraw/zinc/23/51/52/1064235152.db2.gz IZIBZXPFZIGMPZ-RTBURBONSA-N 1 1 477.654 2.690 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134562 1064236250 /nfs/dbraw/zinc/23/62/50/1064236250.db2.gz YNFWLSOAOWDVAD-LJQANCHMSA-N 1 1 459.639 2.903 20 0 JFADMO CC[C@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291754467 1064236584 /nfs/dbraw/zinc/23/65/84/1064236584.db2.gz QYJWAKDRTOCMLC-SLFFLAALSA-N 1 1 484.711 2.604 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291758605 1064238112 /nfs/dbraw/zinc/23/81/12/1064238112.db2.gz ASWNTNMETHHPDQ-ICSRJNTNSA-N 1 1 469.590 2.518 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135262 1064238799 /nfs/dbraw/zinc/23/87/99/1064238799.db2.gz XRFIEHMPRLUVSQ-OAQYLSRUSA-N 1 1 473.710 2.732 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135261 1064238851 /nfs/dbraw/zinc/23/88/51/1064238851.db2.gz XRFIEHMPRLUVSQ-NRFANRHFSA-N 1 1 473.710 2.732 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296135275 1064239220 /nfs/dbraw/zinc/23/92/20/1064239220.db2.gz XRVRAJIAARUNKW-QYZOEREBSA-N 1 1 491.731 2.626 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001291759456 1064239731 /nfs/dbraw/zinc/23/97/31/1064239731.db2.gz FRALZYGOYJYRFV-UONOGXRCSA-N 1 1 454.417 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291759667 1064239742 /nfs/dbraw/zinc/23/97/42/1064239742.db2.gz HKLMRMIFYQWSDD-ZWKOTPCHSA-N 1 1 488.633 2.758 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759344 1064239752 /nfs/dbraw/zinc/23/97/52/1064239752.db2.gz FWAGKNQZKVCXDG-IRXDYDNUSA-N 1 1 466.627 2.629 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291759734 1064240069 /nfs/dbraw/zinc/24/00/69/1064240069.db2.gz HVPCFYCQCTXDJD-ROUUACIJSA-N 1 1 450.591 2.732 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759749 1064240476 /nfs/dbraw/zinc/24/04/76/1064240476.db2.gz JXGUBZUPLMHAQO-GBESFXJTSA-N 1 1 496.653 2.758 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001291760013 1064241011 /nfs/dbraw/zinc/24/10/11/1064241011.db2.gz MNOIKDPYEPMSPU-UYAOXDASSA-N 1 1 455.607 2.909 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cccc(Cl)c3n2C)C[C@@H]1C ZINC001296136325 1064241391 /nfs/dbraw/zinc/24/13/91/1064241391.db2.gz HJLUCRAWQOCQQB-HNNXBMFYSA-N 1 1 458.998 2.535 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760017 1064241399 /nfs/dbraw/zinc/24/13/99/1064241399.db2.gz MODWPKMMEPFDMR-WOJBJXKFSA-N 1 1 484.649 2.705 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001291760061 1064241444 /nfs/dbraw/zinc/24/14/44/1064241444.db2.gz NIMFDYXAFJJPJT-OALUTQOASA-N 1 1 463.671 2.525 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001291760157 1064241788 /nfs/dbraw/zinc/24/17/88/1064241788.db2.gz KBFKQXXGEKAEKH-NQIIRXRSSA-N 1 1 492.690 2.787 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001291762275 1064243299 /nfs/dbraw/zinc/24/32/99/1064243299.db2.gz XRPACPHOSYMTOW-HXUWFJFHSA-N 1 1 475.682 2.766 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC001296137466 1064243835 /nfs/dbraw/zinc/24/38/35/1064243835.db2.gz PDAMVTRMLVKNDX-MRXNPFEDSA-N 1 1 476.025 2.937 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243939 /nfs/dbraw/zinc/24/39/39/1064243939.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 1 1 455.651 2.857 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243949 /nfs/dbraw/zinc/24/39/49/1064243949.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 1 1 455.651 2.857 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)C[C@H]1C ZINC001296137863 1064244393 /nfs/dbraw/zinc/24/43/93/1064244393.db2.gz RYJXLNUHHYVQDJ-MRXNPFEDSA-N 1 1 468.524 2.936 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291763379 1064244407 /nfs/dbraw/zinc/24/44/07/1064244407.db2.gz WHZMYIQVWFCFOU-ZWOKBUDYSA-N 1 1 494.482 2.923 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 ZINC001291763798 1064244737 /nfs/dbraw/zinc/24/47/37/1064244737.db2.gz XJZCGAAVNZKYHH-MRXNPFEDSA-N 1 1 468.444 2.534 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291764004 1064245105 /nfs/dbraw/zinc/24/51/05/1064245105.db2.gz AGBMOSMMNXZRAQ-MZNJEOGPSA-N 1 1 458.607 2.655 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291764419 1064245130 /nfs/dbraw/zinc/24/51/30/1064245130.db2.gz CPAHPLOBVYBTHJ-KRWDZBQOSA-N 1 1 479.647 2.706 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765274 1064245760 /nfs/dbraw/zinc/24/57/60/1064245760.db2.gz JYIUPXSTZROACK-OAHLLOKOSA-N 1 1 455.028 2.737 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001296139041 1064246151 /nfs/dbraw/zinc/24/61/51/1064246151.db2.gz ZVVYQTOUOHLCPZ-HNNXBMFYSA-N 1 1 466.533 2.605 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001291765407 1064246202 /nfs/dbraw/zinc/24/62/02/1064246202.db2.gz MCZHNFIBWJHSOZ-INIZCTEOSA-N 1 1 473.988 2.980 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001291765572 1064246828 /nfs/dbraw/zinc/24/68/28/1064246828.db2.gz NAGDMFAHOBMKJO-OXJNMPFZSA-N 1 1 455.563 2.953 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766691 1064248559 /nfs/dbraw/zinc/24/85/59/1064248559.db2.gz FKKFSJHQPUTEKV-MJGOQNOKSA-N 1 1 477.631 2.808 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291766925 1064248598 /nfs/dbraw/zinc/24/85/98/1064248598.db2.gz GVAHRHBXWRKFFQ-MSOLQXFVSA-N 1 1 472.590 2.724 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766734 1064248642 /nfs/dbraw/zinc/24/86/42/1064248642.db2.gz GCHGMROBOHHVRN-LJQANCHMSA-N 1 1 462.664 2.844 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 ZINC001291767457 1064249341 /nfs/dbraw/zinc/24/93/41/1064249341.db2.gz MYOHLDNZKWVIFH-HXUWFJFHSA-N 1 1 451.619 2.992 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249435 /nfs/dbraw/zinc/24/94/35/1064249435.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 1 1 470.662 2.979 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249442 /nfs/dbraw/zinc/24/94/42/1064249442.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 1 1 470.662 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@@H]1C ZINC001296143061 1064251640 /nfs/dbraw/zinc/25/16/40/1064251640.db2.gz OZHJGQODKVZZPI-TXDDUHAOSA-N 1 1 489.686 2.776 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001296143393 1064252496 /nfs/dbraw/zinc/25/24/96/1064252496.db2.gz PVSQOPOFKBMCFK-OAHLLOKOSA-N 1 1 480.455 2.881 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001296143887 1064253015 /nfs/dbraw/zinc/25/30/15/1064253015.db2.gz SFIYTWZYTCVITK-KRWDZBQOSA-N 1 1 492.466 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771235 1064253082 /nfs/dbraw/zinc/25/30/82/1064253082.db2.gz DAGYTRHWMYVFTD-GMAHTHKFSA-N 1 1 495.672 2.631 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771370 1064253408 /nfs/dbraw/zinc/25/34/08/1064253408.db2.gz DJNASLHEVHCZAO-YADHBBJMSA-N 1 1 482.677 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001296144544 1064253501 /nfs/dbraw/zinc/25/35/01/1064253501.db2.gz AERKMJPDFHBDIR-GAJHUEQPSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001296144751 1064253831 /nfs/dbraw/zinc/25/38/31/1064253831.db2.gz VLLLSAXOIAXNNC-OAHLLOKOSA-N 1 1 461.412 2.667 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771392 1064253793 /nfs/dbraw/zinc/25/37/93/1064253793.db2.gz DNSZFLABLHHVAD-OXJNMPFZSA-N 1 1 461.561 2.564 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291771485 1064254287 /nfs/dbraw/zinc/25/42/87/1064254287.db2.gz GEUIDSPNDFWUFN-KURKYZTESA-N 1 1 463.652 2.582 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001296144996 1064254746 /nfs/dbraw/zinc/25/47/46/1064254746.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 1 459.396 2.907 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001296144996 1064254758 /nfs/dbraw/zinc/25/47/58/1064254758.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 1 459.396 2.907 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001296144996 1064254765 /nfs/dbraw/zinc/25/47/65/1064254765.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 1 459.396 2.907 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001296145149 1064255347 /nfs/dbraw/zinc/25/53/47/1064255347.db2.gz MBBUDJHQDLYSFP-MRXNPFEDSA-N 1 1 470.965 2.583 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291772332 1064255534 /nfs/dbraw/zinc/25/55/34/1064255534.db2.gz OEMJBXHCOXMSOJ-OTWHNJEPSA-N 1 1 477.654 2.795 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296145920 1064256243 /nfs/dbraw/zinc/25/62/43/1064256243.db2.gz HCXSTCTXFFGCJB-IBGZPJMESA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296147144 1064257961 /nfs/dbraw/zinc/25/79/61/1064257961.db2.gz QNWJRNMXGDRKNO-LJQANCHMSA-N 1 1 469.634 2.840 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258443 /nfs/dbraw/zinc/25/84/43/1064258443.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 1 1 474.675 2.753 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258448 /nfs/dbraw/zinc/25/84/48/1064258448.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 1 1 474.675 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001296147711 1064258475 /nfs/dbraw/zinc/25/84/75/1064258475.db2.gz QLUDSDNUVFUNTR-CHWSQXEVSA-N 1 1 453.410 2.578 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001291773512 1064258784 /nfs/dbraw/zinc/25/87/84/1064258784.db2.gz WEEAXWDFZHUVCT-JOCHJYFZSA-N 1 1 482.677 2.595 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148281 1064259311 /nfs/dbraw/zinc/25/93/11/1064259311.db2.gz VNRZXYXTLIKGHR-UXHICEINSA-N 1 1 454.623 2.578 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001296148227 1064259421 /nfs/dbraw/zinc/25/94/21/1064259421.db2.gz UOIOXNAWKWYOPV-ASPBEGMCSA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001296148227 1064259426 /nfs/dbraw/zinc/25/94/26/1064259426.db2.gz UOIOXNAWKWYOPV-ASPBEGMCSA-N 1 1 472.659 2.979 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773687 1064259876 /nfs/dbraw/zinc/25/98/76/1064259876.db2.gz IWTNOXQWJPJKIC-WOJBJXKFSA-N 1 1 472.638 2.684 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774091 1064261653 /nfs/dbraw/zinc/26/16/53/1064261653.db2.gz LMHIXGRYFRPGFY-PMACEKPBSA-N 1 1 454.619 2.536 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001296150587 1064262502 /nfs/dbraw/zinc/26/25/02/1064262502.db2.gz ONBHJSKJMOCGLC-BXKMTCNYSA-N 1 1 455.559 2.993 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001291774437 1064262500 /nfs/dbraw/zinc/26/25/00/1064262500.db2.gz NFTSATCEHWATDV-IFMALSPDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCSC)C[C@H]1C ZINC001296151409 1064262866 /nfs/dbraw/zinc/26/28/66/1064262866.db2.gz ZKQQOHSADVMUOY-GOSISDBHSA-N 1 1 455.636 2.985 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001291774492 1064263175 /nfs/dbraw/zinc/26/31/75/1064263175.db2.gz OKZBSXPBKPSIKA-IHPCNDPISA-N 1 1 496.703 2.744 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296154082 1064263902 /nfs/dbraw/zinc/26/39/02/1064263902.db2.gz BCVANBAWIFEQIY-RBUKOAKNSA-N 1 1 453.591 2.933 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775242 1064263972 /nfs/dbraw/zinc/26/39/72/1064263972.db2.gz VRVYZQMPVUJYOT-UYAOXDASSA-N 1 1 463.648 2.864 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001291775238 1064264023 /nfs/dbraw/zinc/26/40/23/1064264023.db2.gz VRTSTSQIBBJEDQ-UYAOXDASSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775240 1064264074 /nfs/dbraw/zinc/26/40/74/1064264074.db2.gz VRVYZQMPVUJYOT-ICSRJNTNSA-N 1 1 463.648 2.864 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@](C)(O)CC)C[C@@H]1C ZINC001296154448 1064264848 /nfs/dbraw/zinc/26/48/48/1064264848.db2.gz FOCWSCSVKFFGLB-AVRWGWEMSA-N 1 1 467.618 2.927 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001296154449 1064265083 /nfs/dbraw/zinc/26/50/83/1064265083.db2.gz FOCWSCSVKFFGLB-BVZFJXPGSA-N 1 1 467.618 2.927 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778132 1064265867 /nfs/dbraw/zinc/26/58/67/1064265867.db2.gz HUGUSDBIBKSGAG-VQTJNVASSA-N 1 1 492.665 2.934 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC001296155009 1064266529 /nfs/dbraw/zinc/26/65/29/1064266529.db2.gz MCVIPTAUTQLACX-QAPCUYQASA-N 1 1 466.508 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001291779289 1064267342 /nfs/dbraw/zinc/26/73/42/1064267342.db2.gz PGCILSSNBOZRRX-HJPURHCSSA-N 1 1 462.545 2.908 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291779694 1064267754 /nfs/dbraw/zinc/26/77/54/1064267754.db2.gz RXLWINYRKDUOLE-AQNXPRMDSA-N 1 1 480.654 2.932 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)C2(OC)CCOCC2)C[C@H]1C ZINC001296155801 1064267979 /nfs/dbraw/zinc/26/79/79/1064267979.db2.gz WSIZMZBGDXFKLN-QGZVFWFLSA-N 1 1 452.550 2.645 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001291780977 1064268463 /nfs/dbraw/zinc/26/84/63/1064268463.db2.gz CEQNQERZFHOVQD-RTWAWAEBSA-N 1 1 480.661 2.988 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296156098 1064268534 /nfs/dbraw/zinc/26/85/34/1064268534.db2.gz SPDSKTOIPVDNEG-OXQOHEQNSA-N 1 1 458.561 2.790 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cc(OC)ccc2OC)C[C@H]1C ZINC001296156794 1064269368 /nfs/dbraw/zinc/26/93/68/1064269368.db2.gz VRFMSOQSXDLKQR-GOSISDBHSA-N 1 1 453.591 2.859 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001291781784 1064269572 /nfs/dbraw/zinc/26/95/72/1064269572.db2.gz IFUQUYSCBZSNHW-HXUWFJFHSA-N 1 1 479.604 2.982 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001296157458 1064269895 /nfs/dbraw/zinc/26/98/95/1064269895.db2.gz XPEWBLWBJDVOKV-ZJOUEHCJSA-N 1 1 453.635 2.889 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC(C)(C)COC)c2ccccc2c1=O ZINC001296157537 1064270639 /nfs/dbraw/zinc/27/06/39/1064270639.db2.gz YYKXPHZHLMZEGH-SFHVURJKSA-N 1 1 467.618 2.878 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001291782294 1064270672 /nfs/dbraw/zinc/27/06/72/1064270672.db2.gz CMZCAUVZRFUFOM-RXVVDRJESA-N 1 1 458.582 2.848 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296157844 1064271387 /nfs/dbraw/zinc/27/13/87/1064271387.db2.gz FYBILXFYIXGGCR-PZJWPPBQSA-N 1 1 456.639 2.654 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001291782624 1064272807 /nfs/dbraw/zinc/27/28/07/1064272807.db2.gz FSRIYMWBVGBPDW-FQEVSTJZSA-N 1 1 456.639 2.552 20 0 JFADMO CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064272997 /nfs/dbraw/zinc/27/29/97/1064272997.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 1 1 469.682 2.713 20 0 JFADMO CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064273011 /nfs/dbraw/zinc/27/30/11/1064273011.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001291782715 1064273404 /nfs/dbraw/zinc/27/34/04/1064273404.db2.gz SIUXMJMQNNLSGC-LJQANCHMSA-N 1 1 452.607 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291782954 1064273989 /nfs/dbraw/zinc/27/39/89/1064273989.db2.gz WAZSPZDXYFILIB-AOHZBQACSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@@H]1C ZINC001296161342 1064275030 /nfs/dbraw/zinc/27/50/30/1064275030.db2.gz JPACSDNWILBEOD-FPOVZHCZSA-N 1 1 492.615 2.764 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1=O ZINC001296163558 1064278106 /nfs/dbraw/zinc/27/81/06/1064278106.db2.gz ZJHOLFGKLLWSCW-GJZGRUSLSA-N 1 1 452.368 2.806 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001296163790 1064279093 /nfs/dbraw/zinc/27/90/93/1064279093.db2.gz XMYWLJXNJCSWEN-MKTHODDLSA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2([S@](C)=O)CCC2)C[C@H]1C ZINC001296163790 1064279101 /nfs/dbraw/zinc/27/91/01/1064279101.db2.gz XMYWLJXNJCSWEN-MKTHODDLSA-N 1 1 451.587 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001296163715 1064279686 /nfs/dbraw/zinc/27/96/86/1064279686.db2.gz YGYCWIZAMWSVGR-UFYCRDLUSA-N 1 1 476.622 2.810 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001291784455 1064279630 /nfs/dbraw/zinc/27/96/30/1064279630.db2.gz RMNWRRMOZRZSGM-SFHVURJKSA-N 1 1 487.674 2.591 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001296163761 1064280042 /nfs/dbraw/zinc/28/00/42/1064280042.db2.gz YQCXLJAYJNMTNQ-RXVVDRJESA-N 1 1 461.632 2.696 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296163884 1064280190 /nfs/dbraw/zinc/28/01/90/1064280190.db2.gz ZBFPKJYHZWTMDO-IPMKNSEASA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001296164660 1064281385 /nfs/dbraw/zinc/28/13/85/1064281385.db2.gz AFIUMEWLLKUJGZ-QGZVFWFLSA-N 1 1 478.688 2.712 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291786136 1064282417 /nfs/dbraw/zinc/28/24/17/1064282417.db2.gz QXKLBRWTJUEUDM-NRFANRHFSA-N 1 1 469.678 2.744 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291786278 1064282831 /nfs/dbraw/zinc/28/28/31/1064282831.db2.gz RZXZHKKVYMSLOS-CPJSRVTESA-N 1 1 478.682 2.744 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C ZINC001291786493 1064283727 /nfs/dbraw/zinc/28/37/27/1064283727.db2.gz SWHVUAKGBSFMRB-RTWAWAEBSA-N 1 1 461.699 2.829 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001296166653 1064287928 /nfs/dbraw/zinc/28/79/28/1064287928.db2.gz NMCSVQHLIUIXAD-HXUWFJFHSA-N 1 1 467.618 2.930 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291449 /nfs/dbraw/zinc/29/14/49/1064291449.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291460 /nfs/dbraw/zinc/29/14/60/1064291460.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 1 1 470.662 2.787 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173460 1064296139 /nfs/dbraw/zinc/29/61/39/1064296139.db2.gz HFEVBTYXXRVNQR-FQEVSTJZSA-N 1 1 475.682 2.659 20 0 JFADMO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@H]([NH+]3CCN(CC)CC3)C2)cn1 ZINC001296173874 1064299693 /nfs/dbraw/zinc/29/96/93/1064299693.db2.gz MLOBVVDNGZNZTP-QFIPXVFZSA-N 1 1 454.667 2.907 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)C[C@H]1C ZINC001296173975 1064300400 /nfs/dbraw/zinc/30/04/00/1064300400.db2.gz NPSIWNHVJPCBHR-GOSISDBHSA-N 1 1 452.607 2.862 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccn4)n3CCCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296179570 1064309097 /nfs/dbraw/zinc/30/90/97/1064309097.db2.gz HFOHLIZOGPXTJW-NRFANRHFSA-N 1 1 498.676 2.813 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180576 1064312540 /nfs/dbraw/zinc/31/25/40/1064312540.db2.gz NVVAKVDUYBNSBI-GOSISDBHSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291802815 1064313256 /nfs/dbraw/zinc/31/32/56/1064313256.db2.gz FQXPCZSYGOJEIP-PMACEKPBSA-N 1 1 479.629 2.955 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291802851 1064313376 /nfs/dbraw/zinc/31/33/76/1064313376.db2.gz GNHANKJLCKWLLQ-QUCCMNQESA-N 1 1 489.068 2.515 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181155 1064314157 /nfs/dbraw/zinc/31/41/57/1064314157.db2.gz SRIMJVKKTPDHBO-CYFREDJKSA-N 1 1 477.053 2.602 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181752 1064317691 /nfs/dbraw/zinc/31/76/91/1064317691.db2.gz ZXCOIJBROIUJCE-UNMCSNQZSA-N 1 1 455.651 2.926 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001291804228 1064320515 /nfs/dbraw/zinc/32/05/15/1064320515.db2.gz PCSTVQLZDVXPOM-IPMKNSEASA-N 1 1 470.618 2.940 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182119 1064321396 /nfs/dbraw/zinc/32/13/96/1064321396.db2.gz NAOUSWZJWCEHFH-JOCHJYFZSA-N 1 1 485.652 2.570 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)C2)CC1 ZINC001296182250 1064322390 /nfs/dbraw/zinc/32/23/90/1064322390.db2.gz PTAKSEZBIOEHCO-IBGZPJMESA-N 1 1 483.608 2.776 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182378 1064323204 /nfs/dbraw/zinc/32/32/04/1064323204.db2.gz RCSKOQMUDRUZDY-HXUWFJFHSA-N 1 1 499.660 2.573 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182377 1064323273 /nfs/dbraw/zinc/32/32/73/1064323273.db2.gz RCSKOQMUDRUZDY-FQEVSTJZSA-N 1 1 499.660 2.573 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296182944 1064326045 /nfs/dbraw/zinc/32/60/45/1064326045.db2.gz BMQIVHUECHIZOO-HXUWFJFHSA-N 1 1 488.080 2.931 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183296 1064328426 /nfs/dbraw/zinc/32/84/26/1064328426.db2.gz CVQBMSUEBZMAJA-FQEVSTJZSA-N 1 1 468.650 2.825 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001296183829 1064330377 /nfs/dbraw/zinc/33/03/77/1064330377.db2.gz GOTYKQPMBCBULV-SFTDATJTSA-N 1 1 456.635 2.700 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296183851 1064330476 /nfs/dbraw/zinc/33/04/76/1064330476.db2.gz HCUPNFCGTUCCIL-PKOBYXMFSA-N 1 1 494.482 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296184990 1064332167 /nfs/dbraw/zinc/33/21/67/1064332167.db2.gz NCWCPUMQBGMPAB-GOSISDBHSA-N 1 1 483.583 2.804 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190056 1064336722 /nfs/dbraw/zinc/33/67/22/1064336722.db2.gz BIHBUWHGSLZWLT-RQTOMXEWSA-N 1 1 484.689 2.553 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190367 1064338706 /nfs/dbraw/zinc/33/87/06/1064338706.db2.gz CPLOLIXWMVTKGT-ROUUACIJSA-N 1 1 456.557 2.754 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190841 1064340416 /nfs/dbraw/zinc/34/04/16/1064340416.db2.gz GCDINCBXVIBEAZ-PKTZIBPZSA-N 1 1 454.663 2.952 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191182 1064341351 /nfs/dbraw/zinc/34/13/51/1064341351.db2.gz IBHWZMCBKKGPPB-SFHVURJKSA-N 1 1 462.589 2.646 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001296191933 1064343261 /nfs/dbraw/zinc/34/32/61/1064343261.db2.gz DASDAKGQQHQLNT-YUXAGFNASA-N 1 1 477.053 2.722 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291815616 1064344672 /nfs/dbraw/zinc/34/46/72/1064344672.db2.gz ABCSETFBYPVQFY-TZIWHRDSSA-N 1 1 472.609 2.938 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192185 1064344782 /nfs/dbraw/zinc/34/47/82/1064344782.db2.gz DLRUUYHKLDZNEE-MJGOQNOKSA-N 1 1 458.573 2.977 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296192318 1064344829 /nfs/dbraw/zinc/34/48/29/1064344829.db2.gz FCMZGDLVUFQSJL-UNMCSNQZSA-N 1 1 467.662 2.619 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192408 1064345343 /nfs/dbraw/zinc/34/53/43/1064345343.db2.gz DWKIPBROKMVGBT-GGAORHGYSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296192804 1064347443 /nfs/dbraw/zinc/34/74/43/1064347443.db2.gz GPNLFARUOWHYJW-RTWAWAEBSA-N 1 1 456.635 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192872 1064348129 /nfs/dbraw/zinc/34/81/29/1064348129.db2.gz HAWBHZOVSNZQNR-OFNKIYASSA-N 1 1 483.661 2.529 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001291817336 1064349338 /nfs/dbraw/zinc/34/93/38/1064349338.db2.gz KKKLHLGUPAXWLV-IBGZPJMESA-N 1 1 467.643 2.952 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296193312 1064349539 /nfs/dbraw/zinc/34/95/39/1064349539.db2.gz IIUMOPPVYJWPMP-DENIHFKCSA-N 1 1 474.723 2.745 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCc3c(ccnc3N(C)C)C2)CC1 ZINC001296193268 1064349629 /nfs/dbraw/zinc/34/96/29/1064349629.db2.gz IFBRYCGBJSYABX-UHFFFAOYSA-N 1 1 454.667 2.843 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194508 1064354533 /nfs/dbraw/zinc/35/45/33/1064354533.db2.gz MBXVENYOBGPOAD-ICSRJNTNSA-N 1 1 461.655 2.533 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194510 1064354729 /nfs/dbraw/zinc/35/47/29/1064354729.db2.gz MBXVENYOBGPOAD-QUCCMNQESA-N 1 1 461.655 2.533 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001296194416 1064355398 /nfs/dbraw/zinc/35/53/98/1064355398.db2.gz SGTTXFKQCDTGDN-FCHUYYIVSA-N 1 1 464.699 2.771 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194500 1064355971 /nfs/dbraw/zinc/35/59/71/1064355971.db2.gz LYJDQCBHPGXLFE-AABGKKOBSA-N 1 1 470.609 2.511 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296194770 1064358292 /nfs/dbraw/zinc/35/82/92/1064358292.db2.gz FSAUJMKTVJNZSJ-PKOBYXMFSA-N 1 1 469.556 2.847 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194981 1064358907 /nfs/dbraw/zinc/35/89/07/1064358907.db2.gz UIDDZFKJCZZNNS-VQTJNVASSA-N 1 1 473.691 2.933 20 0 JFADMO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001296195335 1064360916 /nfs/dbraw/zinc/36/09/16/1064360916.db2.gz OVFBCNQHKWPLQG-SLFFLAALSA-N 1 1 463.671 2.779 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296195405 1064361098 /nfs/dbraw/zinc/36/10/98/1064361098.db2.gz JJQTUVWIGRHXGB-UHFFFAOYSA-N 1 1 481.689 2.939 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196108 1064364781 /nfs/dbraw/zinc/36/47/81/1064364781.db2.gz XHAQSBNCWDBTHK-IRLDBZIGSA-N 1 1 457.692 2.869 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196100 1064364989 /nfs/dbraw/zinc/36/49/89/1064364989.db2.gz XCZUZDUEXNWSDH-ZVDOUQERSA-N 1 1 495.594 2.694 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296196474 1064367449 /nfs/dbraw/zinc/36/74/49/1064367449.db2.gz PKDXHKFQSNZBGR-AREMUKBSSA-N 1 1 467.662 2.634 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296196941 1064370331 /nfs/dbraw/zinc/37/03/31/1064370331.db2.gz WDFBTOIVZZJXNJ-GOTSBHOMSA-N 1 1 498.672 2.829 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296197093 1064372617 /nfs/dbraw/zinc/37/26/17/1064372617.db2.gz SXEWEHRRPHXSPA-UHFFFAOYSA-N 1 1 457.667 2.954 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296197388 1064373413 /nfs/dbraw/zinc/37/34/13/1064373413.db2.gz XSIQJJZYVQBPLM-DHIUTWEWSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296197463 1064374170 /nfs/dbraw/zinc/37/41/70/1064374170.db2.gz WQZMVOVGQXTDAL-UHFFFAOYSA-N 1 1 470.666 2.937 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001296201890 1064376520 /nfs/dbraw/zinc/37/65/20/1064376520.db2.gz CVEICNSFDKTYRS-UHFFFAOYSA-N 1 1 455.651 2.948 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291827530 1064378138 /nfs/dbraw/zinc/37/81/38/1064378138.db2.gz LVGPUYRXZRDLQY-IUHILOBXSA-N 1 1 490.693 2.658 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001296202579 1064378604 /nfs/dbraw/zinc/37/86/04/1064378604.db2.gz GDMSPDCWVGNKSU-OAQYLSRUSA-N 1 1 464.561 2.793 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001296203284 1064381359 /nfs/dbraw/zinc/38/13/59/1064381359.db2.gz JWSJDECYQYLAFB-UHFFFAOYSA-N 1 1 473.710 2.975 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001296203901 1064384113 /nfs/dbraw/zinc/38/41/13/1064384113.db2.gz CZXSCDDNWZEKOF-LEWJYISDSA-N 1 1 450.697 2.922 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296203845 1064384202 /nfs/dbraw/zinc/38/42/02/1064384202.db2.gz PWFBRDXMNIUDBI-LJQANCHMSA-N 1 1 479.073 2.613 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204047 1064384856 /nfs/dbraw/zinc/38/48/56/1064384856.db2.gz QEWWIJVCFCEUPI-FQEVSTJZSA-N 1 1 460.598 2.812 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)c2cccc(O)c2)CC1 ZINC001296204472 1064386420 /nfs/dbraw/zinc/38/64/20/1064386420.db2.gz JQUHOJNAQRUNGL-IBGZPJMESA-N 1 1 452.607 2.609 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296205199 1064389545 /nfs/dbraw/zinc/38/95/45/1064389545.db2.gz YHNSSNPBZBYRHF-FPOVZHCZSA-N 1 1 475.682 2.923 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291831127 1064391429 /nfs/dbraw/zinc/39/14/29/1064391429.db2.gz ZUMSNZOKKJPXAA-FSSWDIPSSA-N 1 1 461.699 2.949 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3F)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296205640 1064391754 /nfs/dbraw/zinc/39/17/54/1064391754.db2.gz CFULGYHYMRCVOT-UHFFFAOYSA-N 1 1 485.652 2.807 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296206093 1064393369 /nfs/dbraw/zinc/39/33/69/1064393369.db2.gz HYYDSRVZICOEKV-HXUWFJFHSA-N 1 1 487.649 2.978 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832254 1064395061 /nfs/dbraw/zinc/39/50/61/1064395061.db2.gz GAYPZHZJIUVPJA-VXKWHMMOSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296207645 1064398855 /nfs/dbraw/zinc/39/88/55/1064398855.db2.gz ZWMNMASVFYINEM-YKSBVNFPSA-N 1 1 486.661 2.851 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296210321 1064400776 /nfs/dbraw/zinc/40/07/76/1064400776.db2.gz FBVPVGRIHUYBFJ-VWNXMTODSA-N 1 1 454.663 2.688 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296210654 1064400817 /nfs/dbraw/zinc/40/08/17/1064400817.db2.gz HCTACUJMDQBKBA-LJQANCHMSA-N 1 1 459.605 2.577 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCN(Cc4csc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001296212709 1064404522 /nfs/dbraw/zinc/40/45/22/1064404522.db2.gz BNCGTOZBMILMQT-UHFFFAOYSA-N 1 1 474.723 2.690 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291834182 1064408715 /nfs/dbraw/zinc/40/87/15/1064408715.db2.gz UVNJVGPTCSSRRL-FGZHOGPDSA-N 1 1 497.688 2.722 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291843619 1064449237 /nfs/dbraw/zinc/44/92/37/1064449237.db2.gz CKOJVYUEPPTFLJ-IRLDBZIGSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291845843 1064452485 /nfs/dbraw/zinc/45/24/85/1064452485.db2.gz CHXNCIDIFDMIMB-MBSDFSHPSA-N 1 1 458.010 2.910 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001291845917 1064453533 /nfs/dbraw/zinc/45/35/33/1064453533.db2.gz UHBOFIVVVRKFQP-AKIFATBCSA-N 1 1 489.686 2.944 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001296225368 1064454085 /nfs/dbraw/zinc/45/40/85/1064454085.db2.gz MZTATVNTHFJANZ-WIYYLYMNSA-N 1 1 487.693 2.812 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296228656 1064461013 /nfs/dbraw/zinc/46/10/13/1064461013.db2.gz PNAYAICHNCYVKL-KRWDZBQOSA-N 1 1 463.026 2.918 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859012 1064467845 /nfs/dbraw/zinc/46/78/45/1064467845.db2.gz DUTJDKAYBCOUCH-BAGYTPMASA-N 1 1 475.659 2.554 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291861320 1064471008 /nfs/dbraw/zinc/47/10/08/1064471008.db2.gz DHZQTHNDBWKEFP-QFIPXVFZSA-N 1 1 468.646 2.893 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291861320 1064471013 /nfs/dbraw/zinc/47/10/13/1064471013.db2.gz DHZQTHNDBWKEFP-QFIPXVFZSA-N 1 1 468.646 2.893 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001296233031 1064473301 /nfs/dbraw/zinc/47/33/01/1064473301.db2.gz LGUSEEIALXLHSN-RBBKRZOGSA-N 1 1 468.646 2.963 20 0 JFADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233084 1064474340 /nfs/dbraw/zinc/47/43/40/1064474340.db2.gz ZNRTWMQHJJJZRQ-KZHWEAFPSA-N 1 1 452.599 2.559 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291864500 1064477669 /nfs/dbraw/zinc/47/76/69/1064477669.db2.gz GVDMXOQMEASHIZ-AUSIDOKSSA-N 1 1 494.562 2.800 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001296234900 1064481423 /nfs/dbraw/zinc/48/14/23/1064481423.db2.gz UEUWDHWKSUXEFY-WOJBJXKFSA-N 1 1 470.666 2.932 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001296234899 1064481494 /nfs/dbraw/zinc/48/14/94/1064481494.db2.gz UEUWDHWKSUXEFY-VQTJNVASSA-N 1 1 470.666 2.932 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296235127 1064482319 /nfs/dbraw/zinc/48/23/19/1064482319.db2.gz YVUSREPFOMINDQ-NRFANRHFSA-N 1 1 478.645 2.799 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001296242680 1064502202 /nfs/dbraw/zinc/50/22/02/1064502202.db2.gz PGAHATXKSVCSCU-IBGZPJMESA-N 1 1 453.635 2.737 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)N1CCOCC1)c1ccccc1 ZINC001291880951 1064502986 /nfs/dbraw/zinc/50/29/86/1064502986.db2.gz JVFSZQYERWLERR-JOCHJYFZSA-N 1 1 468.646 2.989 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291882638 1064504851 /nfs/dbraw/zinc/50/48/51/1064504851.db2.gz VJOQEDIAGCUMAY-ZEQRLZLVSA-N 1 1 468.646 2.725 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882888 1064505276 /nfs/dbraw/zinc/50/52/76/1064505276.db2.gz QDEXMZZSUYGZFK-DZGCQCFKSA-N 1 1 454.522 2.612 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882891 1064505424 /nfs/dbraw/zinc/50/54/24/1064505424.db2.gz QDEXMZZSUYGZFK-ZFWWWQNUSA-N 1 1 454.522 2.612 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001296248697 1064510039 /nfs/dbraw/zinc/51/00/39/1064510039.db2.gz FQPPVDMEWUXUPZ-GOSISDBHSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889175 1064513966 /nfs/dbraw/zinc/51/39/66/1064513966.db2.gz ZQTANGYXGGDGAK-ISKFKSNPSA-N 1 1 497.688 2.982 20 0 JFADMO CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001296255865 1064518926 /nfs/dbraw/zinc/51/89/26/1064518926.db2.gz VGBYHBFBKHQVHQ-OYRHEFFESA-N 1 1 459.683 2.703 20 0 JFADMO CCNC(=O)C1(Cn2c([C@@H](C)CC)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC001296256476 1064520255 /nfs/dbraw/zinc/52/02/55/1064520255.db2.gz IKCRQFXQCVCRTA-IBGZPJMESA-N 1 1 456.639 2.544 20 0 JFADMO C[C@@H](C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001296257008 1064522101 /nfs/dbraw/zinc/52/21/01/1064522101.db2.gz IIKYTCUOYAPLRI-QGZVFWFLSA-N 1 1 459.612 2.808 20 0 JFADMO C[C@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257215 1064522353 /nfs/dbraw/zinc/52/23/53/1064522353.db2.gz GVTNYFGYUGWCDR-GJZGRUSLSA-N 1 1 450.377 2.683 20 0 JFADMO C[C@@H](NC(=O)CCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257216 1064522463 /nfs/dbraw/zinc/52/24/63/1064522463.db2.gz GVTNYFGYUGWCDR-HUUCEWRRSA-N 1 1 450.377 2.683 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291893933 1064523016 /nfs/dbraw/zinc/52/30/16/1064523016.db2.gz VNUDYVNZTSGWKL-AOHZBQACSA-N 1 1 481.689 2.761 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291893935 1064523164 /nfs/dbraw/zinc/52/31/64/1064523164.db2.gz VNUDYVNZTSGWKL-WMTXJRDZSA-N 1 1 481.689 2.761 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895909 1064527698 /nfs/dbraw/zinc/52/76/98/1064527698.db2.gz ZKNXOLDYYPRKOG-PKOBYXMFSA-N 1 1 482.551 2.655 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291895925 1064528029 /nfs/dbraw/zinc/52/80/29/1064528029.db2.gz ZPHPKYWBUKDLLZ-FGZHOGPDSA-N 1 1 454.619 2.599 20 0 JFADMO CCNC(=O)C1(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC001296261533 1064528104 /nfs/dbraw/zinc/52/81/04/1064528104.db2.gz YGKNNBHRDUJEPK-UHFFFAOYSA-N 1 1 484.645 2.807 20 0 JFADMO CCNC(=O)C1(Cn2c(-c3ccccc3OC)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC001296261533 1064528120 /nfs/dbraw/zinc/52/81/20/1064528120.db2.gz YGKNNBHRDUJEPK-UHFFFAOYSA-N 1 1 484.645 2.807 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291897097 1064528696 /nfs/dbraw/zinc/52/86/96/1064528696.db2.gz AQIKMZAIZMDTQW-PEARBKPGSA-N 1 1 498.672 2.661 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001291898320 1064529008 /nfs/dbraw/zinc/52/90/08/1064529008.db2.gz FKVYZBJDUZCQSH-FGZHOGPDSA-N 1 1 465.602 2.757 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001296273433 1064542478 /nfs/dbraw/zinc/54/24/78/1064542478.db2.gz OXASBBBOLSUZPW-BGYRXZFFSA-N 1 1 477.613 2.684 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001296273433 1064542493 /nfs/dbraw/zinc/54/24/93/1064542493.db2.gz OXASBBBOLSUZPW-BGYRXZFFSA-N 1 1 477.613 2.684 20 0 JFADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001291923188 1064543770 /nfs/dbraw/zinc/54/37/70/1064543770.db2.gz RADOGYJBEKKAMP-IBGZPJMESA-N 1 1 487.649 2.888 20 0 JFADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001291923188 1064543784 /nfs/dbraw/zinc/54/37/84/1064543784.db2.gz RADOGYJBEKKAMP-IBGZPJMESA-N 1 1 487.649 2.888 20 0 JFADMO COC[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001291928021 1064547250 /nfs/dbraw/zinc/54/72/50/1064547250.db2.gz FSDBCFMDHQQCKT-DEOSSOPVSA-N 1 1 453.624 2.754 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001296281833 1064552656 /nfs/dbraw/zinc/55/26/56/1064552656.db2.gz NFBYAZNVZNARCY-GOSISDBHSA-N 1 1 495.653 2.598 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001296283119 1064554657 /nfs/dbraw/zinc/55/46/57/1064554657.db2.gz KMEXFANSDZHJRJ-KNQAVFIVSA-N 1 1 487.718 2.978 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296286267 1064557755 /nfs/dbraw/zinc/55/77/55/1064557755.db2.gz IZEISGGNNCJAJA-LADGPHEKSA-N 1 1 481.689 2.960 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296286269 1064557782 /nfs/dbraw/zinc/55/77/82/1064557782.db2.gz IZEISGGNNCJAJA-VWNXMTODSA-N 1 1 481.689 2.960 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001296289253 1064564027 /nfs/dbraw/zinc/56/40/27/1064564027.db2.gz PUEQYYBGPXEBRV-QFIPXVFZSA-N 1 1 467.662 2.776 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001291951859 1064564182 /nfs/dbraw/zinc/56/41/82/1064564182.db2.gz HTUATNALKIIUDT-XZOQPEGZSA-N 1 1 490.693 2.806 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291953787 1064566819 /nfs/dbraw/zinc/56/68/19/1064566819.db2.gz QWBSLLHMFFNRRF-ZJOUEHCJSA-N 1 1 478.707 2.981 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296293512 1064569239 /nfs/dbraw/zinc/56/92/39/1064569239.db2.gz JFMYIIZAASSXMW-ZRBLBEILSA-N 1 1 489.709 2.536 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(CC)C1)[NH+]1CCOCC1 ZINC001291954963 1064569237 /nfs/dbraw/zinc/56/92/37/1064569237.db2.gz WLXAUXCWCCJTRU-OFVILXPXSA-N 1 1 476.666 2.656 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)OC ZINC001291955570 1064570578 /nfs/dbraw/zinc/57/05/78/1064570578.db2.gz NJXZUUNIRGDNPX-NYVOZVTQSA-N 1 1 457.623 2.733 20 0 JFADMO CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001291956312 1064571724 /nfs/dbraw/zinc/57/17/24/1064571724.db2.gz QWNYOGOAIYGJEV-PKTZIBPZSA-N 1 1 485.677 2.868 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001296297845 1064575023 /nfs/dbraw/zinc/57/50/23/1064575023.db2.gz NNQCTDKLOYAGCA-UHFFFAOYSA-N 1 1 497.688 2.546 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315556 1064594765 /nfs/dbraw/zinc/59/47/65/1064594765.db2.gz RYWRIAZPAULNIR-UXHICEINSA-N 1 1 461.655 2.534 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CC1 ZINC001291985615 1064597516 /nfs/dbraw/zinc/59/75/16/1064597516.db2.gz BMIWLTNHKRSLDK-OAQYLSRUSA-N 1 1 454.619 2.822 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001296318014 1064599840 /nfs/dbraw/zinc/59/98/40/1064599840.db2.gz DOFIVXXDLCFEMZ-XMMPIXPASA-N 1 1 497.688 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1ccn(C)n1 ZINC001291987496 1064601053 /nfs/dbraw/zinc/60/10/53/1064601053.db2.gz BAYVLRVRTRPORL-QFIPXVFZSA-N 1 1 464.618 2.689 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001296325128 1064614688 /nfs/dbraw/zinc/61/46/88/1064614688.db2.gz SNNYDNLLYVZQLD-HXUWFJFHSA-N 1 1 487.624 2.968 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001291998424 1064616331 /nfs/dbraw/zinc/61/63/31/1064616331.db2.gz BDVZTPINXGEFMJ-KRWDZBQOSA-N 1 1 453.595 2.508 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCO1 ZINC001292008593 1064630449 /nfs/dbraw/zinc/63/04/49/1064630449.db2.gz OFLXCKNZDBHABX-VLCRHTCISA-N 1 1 486.665 2.628 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cc(F)cc(OC)c1 ZINC001292018051 1064652308 /nfs/dbraw/zinc/65/23/08/1064652308.db2.gz OMOUSTNQTCNTOW-VGSWGCGISA-N 1 1 488.608 2.549 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292018054 1064652344 /nfs/dbraw/zinc/65/23/44/1064652344.db2.gz ONPOBYQSSLSVLL-JOCHJYFZSA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292018055 1064652412 /nfs/dbraw/zinc/65/24/12/1064652412.db2.gz ONPOBYQSSLSVLL-QFIPXVFZSA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1 ZINC001292018346 1064653185 /nfs/dbraw/zinc/65/31/85/1064653185.db2.gz QSRASLCMCSPUIV-NFBKMPQASA-N 1 1 468.646 2.986 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064657005 /nfs/dbraw/zinc/65/70/05/1064657005.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064657008 /nfs/dbraw/zinc/65/70/08/1064657008.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001292019366 1064657057 /nfs/dbraw/zinc/65/70/57/1064657057.db2.gz DVKXMAWIBILEJV-TUFLPTIASA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001292019366 1064657062 /nfs/dbraw/zinc/65/70/62/1064657062.db2.gz DVKXMAWIBILEJV-TUFLPTIASA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292023365 1064669927 /nfs/dbraw/zinc/66/99/27/1064669927.db2.gz PNHKEQOLXVQKMU-CEWLAPEOSA-N 1 1 464.655 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292023366 1064670376 /nfs/dbraw/zinc/67/03/76/1064670376.db2.gz PNHKEQOLXVQKMU-JBACZVJFSA-N 1 1 464.655 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC001292024869 1064674794 /nfs/dbraw/zinc/67/47/94/1064674794.db2.gz GEYMELPQRQKDCA-KNQAVFIVSA-N 1 1 472.609 2.931 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025922 1064678235 /nfs/dbraw/zinc/67/82/35/1064678235.db2.gz XCHZBYUSIMDTRJ-ROUUACIJSA-N 1 1 491.681 2.982 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCn1ccnc1C ZINC001292029701 1064683165 /nfs/dbraw/zinc/68/31/65/1064683165.db2.gz DYEZXTWAUPYFRM-RXVVDRJESA-N 1 1 456.639 2.855 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCn1ccnc1C ZINC001292029699 1064683203 /nfs/dbraw/zinc/68/32/03/1064683203.db2.gz DYEZXTWAUPYFRM-GHTZIAJQSA-N 1 1 456.639 2.855 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCn1cc(Br)cn1 ZINC001292029779 1064683929 /nfs/dbraw/zinc/68/39/29/1064683929.db2.gz GCFMJMQJNZKUFM-QAPCUYQASA-N 1 1 493.454 2.529 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@](C)(O)c1ccccc1 ZINC001292030076 1064685980 /nfs/dbraw/zinc/68/59/80/1064685980.db2.gz LHTISLVYFQADCA-QLWBXOBMSA-N 1 1 454.619 2.777 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCc1csc(C)n1 ZINC001292040714 1064705640 /nfs/dbraw/zinc/70/56/40/1064705640.db2.gz HKBGSDYUUMYSHV-HSZRJFAPSA-N 1 1 475.663 2.505 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001292046391 1064711129 /nfs/dbraw/zinc/71/11/29/1064711129.db2.gz SVNHLHGUPNHGPX-IGKWTDBASA-N 1 1 498.672 2.673 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292046698 1064711669 /nfs/dbraw/zinc/71/16/69/1064711669.db2.gz VLROKXDPASFTPE-NRFANRHFSA-N 1 1 473.666 2.686 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001292047101 1064712249 /nfs/dbraw/zinc/71/22/49/1064712249.db2.gz ZRYCSDLRUCQCMO-IBGZPJMESA-N 1 1 454.619 2.923 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC(C)C ZINC001292053683 1064718651 /nfs/dbraw/zinc/71/86/51/1064718651.db2.gz QUYQVSZFJHWBFQ-UHFFFAOYSA-N 1 1 475.682 2.623 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001292054410 1064720271 /nfs/dbraw/zinc/72/02/71/1064720271.db2.gz BTRXDMLXNIZJBB-IBGZPJMESA-N 1 1 490.599 2.876 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CCC[NH+]1CCOCC1 ZINC001292060656 1064729863 /nfs/dbraw/zinc/72/98/63/1064729863.db2.gz FRWPNNBTMOLZIM-UHFFFAOYSA-N 1 1 493.056 2.610 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CCn1cc[nH+]c1C ZINC001292067319 1064746507 /nfs/dbraw/zinc/74/65/07/1064746507.db2.gz RPFKWWRULCVAAU-XMMPIXPASA-N 1 1 469.565 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078153 1064760491 /nfs/dbraw/zinc/76/04/91/1064760491.db2.gz CMEQTIBBSVBKLT-NQIIRXRSSA-N 1 1 487.693 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCOCC1 ZINC001292086657 1064769619 /nfs/dbraw/zinc/76/96/19/1064769619.db2.gz UYFDODZWGVXAKJ-INIZCTEOSA-N 1 1 460.545 2.698 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001292089483 1064773963 /nfs/dbraw/zinc/77/39/63/1064773963.db2.gz KPUJQFSYTNNJEF-UYAOXDASSA-N 1 1 498.676 2.787 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCn1cc[nH+]c1C ZINC001292092675 1064780963 /nfs/dbraw/zinc/78/09/63/1064780963.db2.gz QUJBCTQHHUQCAK-QGZVFWFLSA-N 1 1 471.528 2.949 20 0 JFADMO CO[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001292093108 1064781761 /nfs/dbraw/zinc/78/17/61/1064781761.db2.gz NYBAWFYNACEFJV-IRLDBZIGSA-N 1 1 457.596 2.861 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095139 1064786411 /nfs/dbraw/zinc/78/64/11/1064786411.db2.gz TWTBMGDPRJNGDQ-SFTDATJTSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292094959 1064786452 /nfs/dbraw/zinc/78/64/52/1064786452.db2.gz RNDRPJHKISZUJJ-WMZOPIPTSA-N 1 1 458.611 2.756 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC[NH+]1CCSCC1 ZINC001292100467 1064790972 /nfs/dbraw/zinc/79/09/72/1064790972.db2.gz DIPYVRAHTOSODH-UHFFFAOYSA-N 1 1 464.680 2.642 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001292101932 1064792199 /nfs/dbraw/zinc/79/21/99/1064792199.db2.gz SRVCLTDYVIBGHT-LEWJYISDSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001292101932 1064792213 /nfs/dbraw/zinc/79/22/13/1064792213.db2.gz SRVCLTDYVIBGHT-LEWJYISDSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001292104208 1064796278 /nfs/dbraw/zinc/79/62/78/1064796278.db2.gz BADNJFOCJLJNTJ-UHFFFAOYSA-N 1 1 475.682 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001292104421 1064797074 /nfs/dbraw/zinc/79/70/74/1064797074.db2.gz FICNDGAMJYCEBS-QUCCMNQESA-N 1 1 474.629 2.781 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(COC)CCOCC1 ZINC001292104738 1064797407 /nfs/dbraw/zinc/79/74/07/1064797407.db2.gz IMAKYVICTCQEQK-UHFFFAOYSA-N 1 1 478.682 2.950 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001292105228 1064798694 /nfs/dbraw/zinc/79/86/94/1064798694.db2.gz LHCCBMOOMSSDED-PXDATVDWSA-N 1 1 476.666 2.845 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292105459 1064798718 /nfs/dbraw/zinc/79/87/18/1064798718.db2.gz KXHKAIVBBRFWJW-IBGZPJMESA-N 1 1 475.682 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001292105811 1064800439 /nfs/dbraw/zinc/80/04/39/1064800439.db2.gz PGEIYWFJWZMNEW-UHFFFAOYSA-N 1 1 494.706 2.619 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292106574 1064804239 /nfs/dbraw/zinc/80/42/39/1064804239.db2.gz XXEMGRZMZAAYBG-GOSISDBHSA-N 1 1 473.588 2.755 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292109202 1064806948 /nfs/dbraw/zinc/80/69/48/1064806948.db2.gz GESBKPPTSXHQBK-FYYLOGMGSA-N 1 1 489.709 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292110483 1064813530 /nfs/dbraw/zinc/81/35/30/1064813530.db2.gz JCUODEPFZRVRJF-HXUWFJFHSA-N 1 1 499.660 2.872 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292110537 1064814272 /nfs/dbraw/zinc/81/42/72/1064814272.db2.gz KGKTZCLZYDMBAG-IBGZPJMESA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292110886 1064817668 /nfs/dbraw/zinc/81/76/68/1064817668.db2.gz OKTZUZNJQPQMDP-IBGZPJMESA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001292113299 1064821659 /nfs/dbraw/zinc/82/16/59/1064821659.db2.gz CTDBJHFHLDETGL-UHFFFAOYSA-N 1 1 499.660 2.973 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3)CC2)n1CCn1cc[nH+]c1C ZINC001292115916 1064835027 /nfs/dbraw/zinc/83/50/27/1064835027.db2.gz NJCRKFBBLAXFBZ-UHFFFAOYSA-N 1 1 450.591 2.728 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292118108 1064848562 /nfs/dbraw/zinc/84/85/62/1064848562.db2.gz WXTLGHVGJVCCPG-NRFANRHFSA-N 1 1 469.634 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001292122567 1064858190 /nfs/dbraw/zinc/85/81/90/1064858190.db2.gz UGYSCHFOXZORMA-JOCHJYFZSA-N 1 1 497.692 2.886 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001292122789 1064859260 /nfs/dbraw/zinc/85/92/60/1064859260.db2.gz WZBSUYQVVCMQEF-GOSISDBHSA-N 1 1 474.679 2.772 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1CC(F)(F)C1 ZINC001292126402 1064875152 /nfs/dbraw/zinc/87/51/52/1064875152.db2.gz OVNYCDPUVRTLET-INIZCTEOSA-N 1 1 468.593 2.931 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@@]1(C)OCCc2sccc21 ZINC001292126648 1064876414 /nfs/dbraw/zinc/87/64/14/1064876414.db2.gz NCVYRGFEHAKMAU-XMMPIXPASA-N 1 1 490.674 2.515 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1csc(C)n1 ZINC001292126718 1064877449 /nfs/dbraw/zinc/87/74/49/1064877449.db2.gz SRFQLNVSUXZULU-QGZVFWFLSA-N 1 1 489.690 2.894 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001292134071 1064891340 /nfs/dbraw/zinc/89/13/40/1064891340.db2.gz PIGAAULBQXAWPW-XSJBNIOMSA-N 1 1 486.686 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001292134121 1064891982 /nfs/dbraw/zinc/89/19/82/1064891982.db2.gz OFWAXWXRHSSBOC-VQTJNVASSA-N 1 1 485.633 2.732 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001292134120 1064892062 /nfs/dbraw/zinc/89/20/62/1064892062.db2.gz OFWAXWXRHSSBOC-UXHICEINSA-N 1 1 485.633 2.732 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCCc1nnc(C)s1 ZINC001292134343 1064893206 /nfs/dbraw/zinc/89/32/06/1064893206.db2.gz RFERHCNTOHCSNZ-SFHVURJKSA-N 1 1 460.652 2.664 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001292135405 1064899770 /nfs/dbraw/zinc/89/97/70/1064899770.db2.gz JZNUNIINBQSRLO-QHCPKHFHSA-N 1 1 466.696 2.887 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292143118 1064910763 /nfs/dbraw/zinc/91/07/63/1064910763.db2.gz AOJWQERPDIRPCO-MOPGFXCFSA-N 1 1 488.637 2.586 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292144949 1064917750 /nfs/dbraw/zinc/91/77/50/1064917750.db2.gz RHLTWWXFIBYKPR-HKUYNNGSSA-N 1 1 488.637 2.623 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001292145253 1064918442 /nfs/dbraw/zinc/91/84/42/1064918442.db2.gz SQEJBKRCCNAEJL-IEBWSBKVSA-N 1 1 475.663 2.963 20 0 JFADMO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC001292156131 1064937594 /nfs/dbraw/zinc/93/75/94/1064937594.db2.gz SPTJSRMTVXMTOC-XLNZFTOWSA-N 1 1 453.624 2.798 20 0 JFADMO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)C1(C)C ZINC001292156130 1064937785 /nfs/dbraw/zinc/93/77/85/1064937785.db2.gz SPTJSRMTVXMTOC-KHCICDEESA-N 1 1 453.624 2.798 20 0 JFADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1C)[N@H+]1CCc2ccccc2C1 ZINC001292160119 1064941564 /nfs/dbraw/zinc/94/15/64/1064941564.db2.gz NFYRQZDKRIRJFP-HSZRJFAPSA-N 1 1 478.645 2.932 20 0 JFADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001292174921 1064964492 /nfs/dbraw/zinc/96/44/92/1064964492.db2.gz PJVRKXQAQQRXMN-UTKZUKDTSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)C(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292199745 1064991155 /nfs/dbraw/zinc/99/11/55/1064991155.db2.gz QBZICEBNGLRNCX-AUSIDOKSSA-N 1 1 461.614 2.995 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC001292206711 1064995425 /nfs/dbraw/zinc/99/54/25/1064995425.db2.gz GLVGXIODYVXEMA-SIKLNZKXSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC)[N@H+]1CCc2ccccc2C1 ZINC001292206711 1064995438 /nfs/dbraw/zinc/99/54/38/1064995438.db2.gz GLVGXIODYVXEMA-SIKLNZKXSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@@H+](CC)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212055 1065002338 /nfs/dbraw/zinc/00/23/38/1065002338.db2.gz OKGZCGJWIMHWMU-IAGOWNOFSA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001292212787 1065003093 /nfs/dbraw/zinc/00/30/93/1065003093.db2.gz WLZTXKYQQLQKGQ-RCCFBDPRSA-N 1 1 453.591 2.536 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1)OC ZINC001292222670 1065009197 /nfs/dbraw/zinc/00/91/97/1065009197.db2.gz GAKNMJAOTQYRSM-KNKQGSTJSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001292225874 1065013278 /nfs/dbraw/zinc/01/32/78/1065013278.db2.gz QEPHBDSIUBAGEG-YPAWHYETSA-N 1 1 475.659 2.564 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001292229296 1065016558 /nfs/dbraw/zinc/01/65/58/1065016558.db2.gz FFBSCACQLPBFJD-NHCUHLMSSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001292229296 1065016570 /nfs/dbraw/zinc/01/65/70/1065016570.db2.gz FFBSCACQLPBFJD-NHCUHLMSSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001292243253 1065025838 /nfs/dbraw/zinc/02/58/38/1065025838.db2.gz QNQGDEDXMHVZNM-DEOSSOPVSA-N 1 1 469.678 2.598 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001292267918 1065047743 /nfs/dbraw/zinc/04/77/43/1065047743.db2.gz NUPNXCFUDACGJD-WOJBJXKFSA-N 1 1 492.690 2.540 20 0 JFADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292271698 1065049301 /nfs/dbraw/zinc/04/93/01/1065049301.db2.gz ABXJPSRSTZVGSB-JOCHJYFZSA-N 1 1 452.599 2.632 20 0 JFADMO CCC(O)(CC)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292283482 1065056892 /nfs/dbraw/zinc/05/68/92/1065056892.db2.gz DJKYQWBDAWSIMC-XQBPLPMBSA-N 1 1 473.618 2.887 20 0 JFADMO CCC(O)(CC)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292283482 1065056900 /nfs/dbraw/zinc/05/69/00/1065056900.db2.gz DJKYQWBDAWSIMC-XQBPLPMBSA-N 1 1 473.618 2.887 20 0 JFADMO CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001292291666 1065062737 /nfs/dbraw/zinc/06/27/37/1065062737.db2.gz AUJWHUQCZKWGFN-RBBKRZOGSA-N 1 1 457.619 2.874 20 0 JFADMO Cn1nc2cc(Br)ccc2c1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292314901 1065082317 /nfs/dbraw/zinc/08/23/17/1065082317.db2.gz WHDUQGQHUBRPMW-UHFFFAOYSA-N 1 1 457.376 2.673 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292352897 1065097264 /nfs/dbraw/zinc/09/72/64/1065097264.db2.gz HCYILSWYDNMRTC-DVECYGJZSA-N 1 1 490.052 2.942 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353533 1065097953 /nfs/dbraw/zinc/09/79/53/1065097953.db2.gz KUSCOEAYVPSCEF-DVECYGJZSA-N 1 1 458.607 2.795 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353535 1065098173 /nfs/dbraw/zinc/09/81/73/1065098173.db2.gz KUSCOEAYVPSCEF-YADARESESA-N 1 1 458.607 2.795 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001292378088 1065120847 /nfs/dbraw/zinc/12/08/47/1065120847.db2.gz UYWNYDSAHDVXPJ-PKOBYXMFSA-N 1 1 452.669 2.922 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292458989 1065183667 /nfs/dbraw/zinc/18/36/67/1065183667.db2.gz UCYMVOFZIILITF-QFIPXVFZSA-N 1 1 456.635 2.825 20 0 JFADMO CCc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001292459999 1065187174 /nfs/dbraw/zinc/18/71/74/1065187174.db2.gz WDXBRJSLNQQNJO-IRLDBZIGSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292460574 1065189158 /nfs/dbraw/zinc/18/91/58/1065189158.db2.gz IXHTWRQWCTVJKI-BDTNDASRSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC001292462468 1065192193 /nfs/dbraw/zinc/19/21/93/1065192193.db2.gz TUPULOJERCRVBX-SFTDATJTSA-N 1 1 463.648 2.866 20 0 JFADMO CCc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001292468349 1065194605 /nfs/dbraw/zinc/19/46/05/1065194605.db2.gz OMNAWHZGMSIZIX-UHFFFAOYSA-N 1 1 450.635 2.903 20 0 JFADMO CCc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001292468349 1065194622 /nfs/dbraw/zinc/19/46/22/1065194622.db2.gz OMNAWHZGMSIZIX-UHFFFAOYSA-N 1 1 450.635 2.903 20 0 JFADMO CCc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001292468349 1065194628 /nfs/dbraw/zinc/19/46/28/1065194628.db2.gz OMNAWHZGMSIZIX-UHFFFAOYSA-N 1 1 450.635 2.903 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](CC)[C@H]([NH+]4CCOCC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292483794 1065205653 /nfs/dbraw/zinc/20/56/53/1065205653.db2.gz DRMIZPOZQUKTJR-ACIOBRDBSA-N 1 1 457.619 2.716 20 0 JFADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC001292495600 1065213618 /nfs/dbraw/zinc/21/36/18/1065213618.db2.gz BYCAMGUKPOGIAF-DNVJHFABSA-N 1 1 457.615 2.795 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCn2cc[nH+]c2C)cc1 ZINC001292498901 1065219247 /nfs/dbraw/zinc/21/92/47/1065219247.db2.gz SXZPHZVMQVPAHP-UHFFFAOYSA-N 1 1 451.575 2.573 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292507549 1065225505 /nfs/dbraw/zinc/22/55/05/1065225505.db2.gz JZFFOCBIZDMDFZ-ZBLYBZFDSA-N 1 1 482.673 2.953 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292512965 1065231707 /nfs/dbraw/zinc/23/17/07/1065231707.db2.gz YSYKFDZLDJOIOG-FCHUYYIVSA-N 1 1 454.619 2.566 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CC[N@H+](C)[C@H](C)CC)cc1 ZINC001292512998 1065232105 /nfs/dbraw/zinc/23/21/05/1065232105.db2.gz ZPHDUDZYYBEPDW-OAQYLSRUSA-N 1 1 495.672 2.509 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292513758 1065234387 /nfs/dbraw/zinc/23/43/87/1065234387.db2.gz MPBWFLSJKIRGHU-RTWAWAEBSA-N 1 1 483.661 2.810 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513782 1065234593 /nfs/dbraw/zinc/23/45/93/1065234593.db2.gz NKEUQCILOCOIKB-FGZHOGPDSA-N 1 1 454.619 2.675 20 0 JFADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521200 1065247351 /nfs/dbraw/zinc/24/73/51/1065247351.db2.gz DATZZWVYAVLTBJ-HNNXBMFYSA-N 1 1 459.182 2.766 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524088 1065248658 /nfs/dbraw/zinc/24/86/58/1065248658.db2.gz AMEHTSZTIATVDH-DENIHFKCSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[N@H+](CC)[C@H](C)C3)c[nH]c21 ZINC001292567314 1065278344 /nfs/dbraw/zinc/27/83/44/1065278344.db2.gz ICFFGEAUBZCYPD-MSOLQXFVSA-N 1 1 487.674 2.705 20 0 JFADMO CCc1ccccc1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001292567026 1065278493 /nfs/dbraw/zinc/27/84/93/1065278493.db2.gz NXNDJGLDAMDXOU-NLFFAJNJSA-N 1 1 457.619 2.914 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292579393 1065294421 /nfs/dbraw/zinc/29/44/21/1065294421.db2.gz UQQIPUPEUXECFV-UNMCSNQZSA-N 1 1 484.645 2.920 20 0 JFADMO CCc1nnc(N(C)CC(=O)Nc2ccccc2CC)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292579675 1065295322 /nfs/dbraw/zinc/29/53/22/1065295322.db2.gz XKSATOCIDOYHJH-XMMPIXPASA-N 1 1 472.659 2.686 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001292589518 1065305744 /nfs/dbraw/zinc/30/57/44/1065305744.db2.gz MFFYIFXISGKDDS-AZUAARDMSA-N 1 1 461.632 2.527 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001292590009 1065306923 /nfs/dbraw/zinc/30/69/23/1065306923.db2.gz JMOODDZPFPJTNG-AOUJKTHWSA-N 1 1 456.587 2.970 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001292593507 1065313662 /nfs/dbraw/zinc/31/36/62/1065313662.db2.gz NUFCVWWOLXQKLI-NRFANRHFSA-N 1 1 454.619 2.996 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292593945 1065314258 /nfs/dbraw/zinc/31/42/58/1065314258.db2.gz PMQNKPORLPVPAG-HXUWFJFHSA-N 1 1 485.629 2.777 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292608505 1065334564 /nfs/dbraw/zinc/33/45/64/1065334564.db2.gz CZMHCJSPCQOYSQ-JOCHJYFZSA-N 1 1 454.619 2.962 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001292609733 1065336960 /nfs/dbraw/zinc/33/69/60/1065336960.db2.gz HIPLLTKTMQNJSP-HXUWFJFHSA-N 1 1 469.634 2.613 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292610123 1065337407 /nfs/dbraw/zinc/33/74/07/1065337407.db2.gz PYYNOQPMGBDJMB-UHFFFAOYSA-N 1 1 484.645 2.589 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001292610123 1065337413 /nfs/dbraw/zinc/33/74/13/1065337413.db2.gz PYYNOQPMGBDJMB-UHFFFAOYSA-N 1 1 484.645 2.589 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001292614410 1065343854 /nfs/dbraw/zinc/34/38/54/1065343854.db2.gz DXMDPXTWALTKRN-MRXNPFEDSA-N 1 1 468.524 2.628 20 0 JFADMO CCc1cnc(CN(C)c2nnc(CCc3ccc(OC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001292645814 1065380800 /nfs/dbraw/zinc/38/08/00/1065380800.db2.gz UNUDKZYUFHNKAH-XMMPIXPASA-N 1 1 470.643 2.794 20 0 JFADMO CCc1cnc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC001292646924 1065382047 /nfs/dbraw/zinc/38/20/47/1065382047.db2.gz GTTGANYOZOKNIS-SFHVURJKSA-N 1 1 475.663 2.557 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 ZINC001292660456 1065396609 /nfs/dbraw/zinc/39/66/09/1065396609.db2.gz LQCNXKZETXVEJB-RZUBCFFCSA-N 1 1 459.635 2.534 20 0 JFADMO O=C(CNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660695 1065397246 /nfs/dbraw/zinc/39/72/46/1065397246.db2.gz MAWOGZIQXQVZKU-QHCPKHFHSA-N 1 1 455.002 2.765 20 0 JFADMO O=C(CNC(=O)c1cc(Br)cnc1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660965 1065397285 /nfs/dbraw/zinc/39/72/85/1065397285.db2.gz NFXPVMZVXISXPH-UHFFFAOYSA-N 1 1 457.372 2.796 20 0 JFADMO CC(C)(C)OC(=O)C1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1(C)C ZINC001292662017 1065398411 /nfs/dbraw/zinc/39/84/11/1065398411.db2.gz XGFOZJGVZVRFJS-UHFFFAOYSA-N 1 1 457.615 2.841 20 0 JFADMO CCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3ccccc3OC)CC2)o1 ZINC001292677948 1065416995 /nfs/dbraw/zinc/41/69/95/1065416995.db2.gz AJQQJOGCCIJRRX-UHFFFAOYSA-N 1 1 481.601 2.654 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001292678509 1065417781 /nfs/dbraw/zinc/41/77/81/1065417781.db2.gz NPMUKFNBXPJDAT-HXOBKFHXSA-N 1 1 455.632 2.855 20 0 JFADMO C[N@@H+](CCOc1cccc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1)C1CCOCC1 ZINC001292705576 1065461647 /nfs/dbraw/zinc/46/16/47/1065461647.db2.gz GIZHKWOQZPPZQF-UHFFFAOYSA-N 1 1 452.555 2.850 20 0 JFADMO CCc1nc(CCn2c(-c3cccc(C)n3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)no1 ZINC001292711012 1065465815 /nfs/dbraw/zinc/46/58/15/1065465815.db2.gz WCVCBHVVCBICLH-UHFFFAOYSA-N 1 1 468.606 2.631 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292720645 1065481587 /nfs/dbraw/zinc/48/15/87/1065481587.db2.gz LHUYXQCTFMTDLF-SJORKVTESA-N 1 1 483.708 2.664 20 0 JFADMO CCc1nc(Cn2c(CC(C)C)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cs1 ZINC001292745156 1065504034 /nfs/dbraw/zinc/50/40/34/1065504034.db2.gz DDEUBVNCVRJCBK-UHFFFAOYSA-N 1 1 461.680 2.924 20 0 JFADMO CCc1nc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cs1 ZINC001292745156 1065504045 /nfs/dbraw/zinc/50/40/45/1065504045.db2.gz DDEUBVNCVRJCBK-UHFFFAOYSA-N 1 1 461.680 2.924 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001292764991 1065520201 /nfs/dbraw/zinc/52/02/01/1065520201.db2.gz CTUWZTUMJHRLII-UHFFFAOYSA-N 1 1 457.648 2.605 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292765070 1065520332 /nfs/dbraw/zinc/52/03/32/1065520332.db2.gz ASKNGGOMYOHNRT-BGYRXZFFSA-N 1 1 480.661 2.716 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292765070 1065520342 /nfs/dbraw/zinc/52/03/42/1065520342.db2.gz ASKNGGOMYOHNRT-BGYRXZFFSA-N 1 1 480.661 2.716 20 0 JFADMO CCc1nnc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)s1 ZINC001292794699 1065554350 /nfs/dbraw/zinc/55/43/50/1065554350.db2.gz OYGNEFFRONUPTF-MRXNPFEDSA-N 1 1 459.595 2.627 20 0 JFADMO CCc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803035 1065560686 /nfs/dbraw/zinc/56/06/86/1065560686.db2.gz SJEWMSOUZSSYOX-KSZLIROESA-N 1 1 478.663 2.573 20 0 JFADMO CCc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803156 1065561374 /nfs/dbraw/zinc/56/13/74/1065561374.db2.gz UPVKPGISVHMBIY-OTWHNJEPSA-N 1 1 463.648 2.941 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292813643 1065563780 /nfs/dbraw/zinc/56/37/80/1065563780.db2.gz MWIDNTHDBYUMQN-QFIPXVFZSA-N 1 1 481.689 2.855 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 ZINC001292864529 1065579358 /nfs/dbraw/zinc/57/93/58/1065579358.db2.gz QSKIYKHYJBSDFM-QHAWAJNXSA-N 1 1 456.635 2.921 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCN(c2ccccc2OC)C1 ZINC001292864529 1065579371 /nfs/dbraw/zinc/57/93/71/1065579371.db2.gz QSKIYKHYJBSDFM-QHAWAJNXSA-N 1 1 456.635 2.921 20 0 JFADMO CCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCOC1CCOCC1 ZINC001292868284 1065580146 /nfs/dbraw/zinc/58/01/46/1065580146.db2.gz ZNDFPFSBECLSCF-WMZHIEFXSA-N 1 1 459.639 2.679 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292892223 1065589042 /nfs/dbraw/zinc/58/90/42/1065589042.db2.gz AYZUGLYUNCJEFX-AMZDPNTKSA-N 1 1 468.646 2.517 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892230 1065589540 /nfs/dbraw/zinc/58/95/40/1065589540.db2.gz BDFUZNJFXMCPNR-RDPSFJRHSA-N 1 1 498.672 2.869 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292892408 1065589601 /nfs/dbraw/zinc/58/96/01/1065589601.db2.gz DMVXFRRFLZVDLW-MAUKXSAKSA-N 1 1 451.518 2.656 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001292892692 1065590929 /nfs/dbraw/zinc/59/09/29/1065590929.db2.gz GNNPCBHBBQTVQB-PMOQBDJRSA-N 1 1 453.635 2.664 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001292892691 1065590988 /nfs/dbraw/zinc/59/09/88/1065590988.db2.gz GNNPCBHBBQTVQB-AJSBUHFISA-N 1 1 453.635 2.664 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292892765 1065591374 /nfs/dbraw/zinc/59/13/74/1065591374.db2.gz HZRKWWNRJMDIDF-AWRGLXIESA-N 1 1 467.662 2.744 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893225 1065592986 /nfs/dbraw/zinc/59/29/86/1065592986.db2.gz MNVGJFVZPGNXEP-CTZBYDCFSA-N 1 1 460.667 2.815 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893228 1065593695 /nfs/dbraw/zinc/59/36/95/1065593695.db2.gz MNVGJFVZPGNXEP-PSBUECQCSA-N 1 1 460.667 2.815 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893425 1065594331 /nfs/dbraw/zinc/59/43/31/1065594331.db2.gz NVGYHGALKQHTGZ-FYYLOGMGSA-N 1 1 468.646 2.915 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893461 1065594685 /nfs/dbraw/zinc/59/46/85/1065594685.db2.gz ORWJHAUWWGLUMQ-IRLDBZIGSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893540 1065594745 /nfs/dbraw/zinc/59/47/45/1065594745.db2.gz PDQQFXBGXFRFIK-PXNSSMCTSA-N 1 1 494.562 2.819 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893462 1065594818 /nfs/dbraw/zinc/59/48/18/1065594818.db2.gz ORWJHAUWWGLUMQ-RBBKRZOGSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(CCOC)CCCCC1 ZINC001292894572 1065595951 /nfs/dbraw/zinc/59/59/51/1065595951.db2.gz XYSFBSVKJQWIFS-RBBKRZOGSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001292899261 1065597362 /nfs/dbraw/zinc/59/73/62/1065597362.db2.gz MFINECQTBRLJMO-PKOBYXMFSA-N 1 1 458.573 2.662 20 0 JFADMO CCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001292905433 1065598446 /nfs/dbraw/zinc/59/84/46/1065598446.db2.gz ASYSLMFDSPMLHD-GHTZIAJQSA-N 1 1 473.618 2.656 20 0 JFADMO CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292907487 1065598952 /nfs/dbraw/zinc/59/89/52/1065598952.db2.gz SQGFJBVPIZXAQB-ILWGZMRPSA-N 1 1 454.619 2.750 20 0 JFADMO CCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292918274 1065605070 /nfs/dbraw/zinc/60/50/70/1065605070.db2.gz BXXVHRAROXGSPA-UHFFFAOYSA-N 1 1 454.619 2.671 20 0 JFADMO CN(C(=O)CCc1ccc(F)c2ccccc12)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292920679 1065605685 /nfs/dbraw/zinc/60/56/85/1065605685.db2.gz MGVYNQAHQWZXPK-UHFFFAOYSA-N 1 1 454.590 2.608 20 0 JFADMO CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001292921047 1065606529 /nfs/dbraw/zinc/60/65/29/1065606529.db2.gz UFVJGJFESXFGOL-FGZHOGPDSA-N 1 1 454.640 2.633 20 0 JFADMO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001292921598 1065607043 /nfs/dbraw/zinc/60/70/43/1065607043.db2.gz MVXZDEZMBAYEEE-SFHVURJKSA-N 1 1 459.547 2.944 20 0 JFADMO CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292932626 1065622612 /nfs/dbraw/zinc/62/26/12/1065622612.db2.gz WXSJATYMLIRJMU-SLFFLAALSA-N 1 1 491.681 2.523 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc4c([nH]c3=O)CCC[C@@H]4O)CC2)c1C ZINC001292933942 1065623975 /nfs/dbraw/zinc/62/39/75/1065623975.db2.gz QFDFLBVWHUJYMU-QFIPXVFZSA-N 1 1 454.571 2.914 20 0 JFADMO CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943300 1065627646 /nfs/dbraw/zinc/62/76/46/1065627646.db2.gz MPGCNLSNPSHUTG-JOCHJYFZSA-N 1 1 454.619 2.873 20 0 JFADMO CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943496 1065628386 /nfs/dbraw/zinc/62/83/86/1065628386.db2.gz OELZNXWKQBSLEG-TZIWHRDSSA-N 1 1 454.619 2.786 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1ccncc1Cl ZINC001292951858 1065632392 /nfs/dbraw/zinc/63/23/92/1065632392.db2.gz KWWWAUOFXTWSAS-UHFFFAOYSA-N 1 1 460.026 2.708 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957489 1065634577 /nfs/dbraw/zinc/63/45/77/1065634577.db2.gz APSHOBIVEULOOO-HNNXBMFYSA-N 1 1 452.372 2.777 20 0 JFADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC001292958140 1065635290 /nfs/dbraw/zinc/63/52/90/1065635290.db2.gz TVRQEEOHSPUKSN-UHFFFAOYSA-N 1 1 458.628 2.943 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957742 1065635365 /nfs/dbraw/zinc/63/53/65/1065635365.db2.gz DNWVWSXGUGDAJC-HXUWFJFHSA-N 1 1 458.647 2.912 20 0 JFADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001292959282 1065637752 /nfs/dbraw/zinc/63/77/52/1065637752.db2.gz YBEMBEJEWWFTLT-UHFFFAOYSA-N 1 1 450.377 2.962 20 0 JFADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001292959282 1065637760 /nfs/dbraw/zinc/63/77/60/1065637760.db2.gz YBEMBEJEWWFTLT-UHFFFAOYSA-N 1 1 450.377 2.962 20 0 JFADMO CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292961388 1065642947 /nfs/dbraw/zinc/64/29/47/1065642947.db2.gz ZGPGOSIGECEEKQ-INIZCTEOSA-N 1 1 451.518 2.657 20 0 JFADMO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292961613 1065643615 /nfs/dbraw/zinc/64/36/15/1065643615.db2.gz GZMJXXRPEVQPDH-IBGZPJMESA-N 1 1 470.666 2.731 20 0 JFADMO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001292971123 1065652440 /nfs/dbraw/zinc/65/24/40/1065652440.db2.gz QLIBHTOHFQGVOF-LJQANCHMSA-N 1 1 454.685 2.745 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292979044 1065660422 /nfs/dbraw/zinc/66/04/22/1065660422.db2.gz ZIWHGAVIFUTAJY-QFIPXVFZSA-N 1 1 472.609 2.735 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292980741 1065664594 /nfs/dbraw/zinc/66/45/94/1065664594.db2.gz YXNICFCRISVWQR-LEWJYISDSA-N 1 1 473.597 2.617 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001292981174 1065665958 /nfs/dbraw/zinc/66/59/58/1065665958.db2.gz CKHPWIPVQGRUBH-ZCNNSNEGSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292983451 1065666369 /nfs/dbraw/zinc/66/63/69/1065666369.db2.gz WKZQVHMBCNLXEO-JOCHJYFZSA-N 1 1 475.682 2.678 20 0 JFADMO CCc1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001292995436 1065683694 /nfs/dbraw/zinc/68/36/94/1065683694.db2.gz UXLFKQITLQJXBB-UHFFFAOYSA-N 1 1 488.702 2.701 20 0 JFADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3Cl)CC2)CC1 ZINC001293004369 1065688717 /nfs/dbraw/zinc/68/87/17/1065688717.db2.gz KAWHBQXGDHBMHM-UHFFFAOYSA-N 1 1 456.974 2.897 20 0 JFADMO CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293004836 1065689239 /nfs/dbraw/zinc/68/92/39/1065689239.db2.gz VOLWNDVPTRGSHT-NRFANRHFSA-N 1 1 454.619 2.663 20 0 JFADMO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293017412 1065694804 /nfs/dbraw/zinc/69/48/04/1065694804.db2.gz MTDZGCIWMFMAIZ-KRWDZBQOSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293017412 1065694813 /nfs/dbraw/zinc/69/48/13/1065694813.db2.gz MTDZGCIWMFMAIZ-KRWDZBQOSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293044599 1065709279 /nfs/dbraw/zinc/70/92/79/1065709279.db2.gz MKNZNLFGGIXJCG-HXUWFJFHSA-N 1 1 481.567 2.996 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293061569 1065715596 /nfs/dbraw/zinc/71/55/96/1065715596.db2.gz BCDNTOLFTMJCBT-UHFFFAOYSA-N 1 1 475.037 2.957 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001293061569 1065715601 /nfs/dbraw/zinc/71/56/01/1065715601.db2.gz BCDNTOLFTMJCBT-UHFFFAOYSA-N 1 1 475.037 2.957 20 0 JFADMO C[N@@H+](CCN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1)Cc1ccccc1 ZINC001293065968 1065717055 /nfs/dbraw/zinc/71/70/55/1065717055.db2.gz RXGWMLCWLOUYRY-UHFFFAOYSA-N 1 1 457.644 2.946 20 0 JFADMO CCc1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001293068590 1065721114 /nfs/dbraw/zinc/72/11/14/1065721114.db2.gz JOEQTGIZCJRRQL-NRFANRHFSA-N 1 1 454.619 2.962 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)COc1ccccc1OC ZINC001293069017 1065722511 /nfs/dbraw/zinc/72/25/11/1065722511.db2.gz PHJNKRFQGHCAMS-OAQYLSRUSA-N 1 1 484.645 2.699 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)COc1ccccc1OC ZINC001293069017 1065722526 /nfs/dbraw/zinc/72/25/26/1065722526.db2.gz PHJNKRFQGHCAMS-OAQYLSRUSA-N 1 1 484.645 2.699 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001293070258 1065723811 /nfs/dbraw/zinc/72/38/11/1065723811.db2.gz GFWAWWPQRITSSJ-UHFFFAOYSA-N 1 1 478.523 2.671 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293081454 1065730748 /nfs/dbraw/zinc/73/07/48/1065730748.db2.gz JDKDKDBDPROXNY-UHFFFAOYSA-N 1 1 479.000 2.706 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293081454 1065730758 /nfs/dbraw/zinc/73/07/58/1065730758.db2.gz JDKDKDBDPROXNY-UHFFFAOYSA-N 1 1 479.000 2.706 20 0 JFADMO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293085169 1065735382 /nfs/dbraw/zinc/73/53/82/1065735382.db2.gz CRFBTXQSVYDEBP-HXUWFJFHSA-N 1 1 472.609 2.828 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293094291 1065743319 /nfs/dbraw/zinc/74/33/19/1065743319.db2.gz DGSQASGZQOBUGO-OAHLLOKOSA-N 1 1 458.533 2.689 20 0 JFADMO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001293110918 1065755962 /nfs/dbraw/zinc/75/59/62/1065755962.db2.gz HWKPDBKIVGHDDE-QGZVFWFLSA-N 1 1 481.476 2.895 20 0 JFADMO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H](C(CC)CC)N1CCOCC1 ZINC001293112462 1065758366 /nfs/dbraw/zinc/75/83/66/1065758366.db2.gz FEPPSGYHGYAGPT-VWLOTQADSA-N 1 1 489.753 2.972 20 0 JFADMO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H](C(CC)CC)N1CCOCC1 ZINC001293112459 1065758403 /nfs/dbraw/zinc/75/84/03/1065758403.db2.gz FEPPSGYHGYAGPT-RUZDIDTESA-N 1 1 489.753 2.972 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293115956 1065762146 /nfs/dbraw/zinc/76/21/46/1065762146.db2.gz IHQBRHNNZNGNTA-DNVJHFABSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116489 1065763541 /nfs/dbraw/zinc/76/35/41/1065763541.db2.gz MKQFQMUMYLVMQT-ROUUACIJSA-N 1 1 450.628 2.785 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293121007 1065770678 /nfs/dbraw/zinc/77/06/78/1065770678.db2.gz VQXGVSZJGKGDIZ-WXFUMESZSA-N 1 1 487.737 2.979 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1Cc1cccnc1OC ZINC001293128305 1065779577 /nfs/dbraw/zinc/77/95/77/1065779577.db2.gz VQWLMSMQZZYYRD-UHFFFAOYSA-N 1 1 452.559 2.632 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001293129350 1065780046 /nfs/dbraw/zinc/78/00/46/1065780046.db2.gz WHZLTZWKKXYSTL-UHFFFAOYSA-N 1 1 462.620 2.518 20 0 JFADMO CCc1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293129715 1065780600 /nfs/dbraw/zinc/78/06/00/1065780600.db2.gz DJFJIVJNVHIKHU-IBGZPJMESA-N 1 1 489.024 2.648 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130521 1065781727 /nfs/dbraw/zinc/78/17/27/1065781727.db2.gz HVUFDGQTPUQYEI-AKFKNWHVSA-N 1 1 476.710 2.913 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293132051 1065784550 /nfs/dbraw/zinc/78/45/50/1065784550.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 1 1 483.705 2.572 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132051 1065784560 /nfs/dbraw/zinc/78/45/60/1065784560.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 1 1 483.705 2.572 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132690 1065785113 /nfs/dbraw/zinc/78/51/13/1065785113.db2.gz YNGSWHJNXUGVGO-VQTJNVASSA-N 1 1 454.610 2.897 20 0 JFADMO CCc1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001293135703 1065786311 /nfs/dbraw/zinc/78/63/11/1065786311.db2.gz GXAMRQSSUXJLHA-JOCHJYFZSA-N 1 1 454.619 2.558 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1Cc1ccc(OC)nc1 ZINC001293135863 1065786412 /nfs/dbraw/zinc/78/64/12/1065786412.db2.gz IMAVGYBSNFGTRI-UHFFFAOYSA-N 1 1 452.559 2.502 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001293135526 1065786438 /nfs/dbraw/zinc/78/64/38/1065786438.db2.gz GFHVXQZBEPBHQE-UHFFFAOYSA-N 1 1 455.582 2.955 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1Cc1nccc(C(F)F)n1 ZINC001293137639 1065787938 /nfs/dbraw/zinc/78/79/38/1065787938.db2.gz RCUNJQPIBJNJDS-UHFFFAOYSA-N 1 1 473.528 2.826 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001293138860 1065789265 /nfs/dbraw/zinc/78/92/65/1065789265.db2.gz KNIKKKSTJHIUDO-FQEVSTJZSA-N 1 1 460.648 2.534 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293139402 1065790150 /nfs/dbraw/zinc/79/01/50/1065790150.db2.gz RJGKOGLJGFGWRF-JOCHJYFZSA-N 1 1 474.675 2.757 20 0 JFADMO CN1CCN(c2ccccc2CNC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001293182548 1065804534 /nfs/dbraw/zinc/80/45/34/1065804534.db2.gz JUFWIDMAZWTCFX-UHFFFAOYSA-N 1 1 456.034 2.920 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001293184774 1065808292 /nfs/dbraw/zinc/80/82/92/1065808292.db2.gz KDKXPLJXAVALFD-WOJBJXKFSA-N 1 1 488.681 2.905 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185511 1065809966 /nfs/dbraw/zinc/80/99/66/1065809966.db2.gz SWMNSQDTVMCUAL-MOPGFXCFSA-N 1 1 452.607 2.936 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185517 1065810349 /nfs/dbraw/zinc/81/03/49/1065810349.db2.gz SWMNSQDTVMCUAL-RTBURBONSA-N 1 1 452.607 2.936 20 0 JFADMO Cc1cc(Br)c(N)c(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC001293214249 1065847198 /nfs/dbraw/zinc/84/71/98/1065847198.db2.gz GLOZVRYPXLXQJU-KRWDZBQOSA-N 1 1 459.388 2.967 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293214579 1065848092 /nfs/dbraw/zinc/84/80/92/1065848092.db2.gz ABMLLMORUNVGFE-UTKZUKDTSA-N 1 1 467.618 2.594 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293214836 1065849167 /nfs/dbraw/zinc/84/91/67/1065849167.db2.gz CORIIPLHJXKRQL-NRSPTQNISA-N 1 1 488.608 2.629 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001293218068 1065861396 /nfs/dbraw/zinc/86/13/96/1065861396.db2.gz IIRRSXULBHXUEU-LJQANCHMSA-N 1 1 489.418 2.693 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293218776 1065863473 /nfs/dbraw/zinc/86/34/73/1065863473.db2.gz PQRMRKANQHQRNK-SBZFUYPRSA-N 1 1 490.693 2.790 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001293220974 1065873680 /nfs/dbraw/zinc/87/36/80/1065873680.db2.gz VYOYWCSWQZONLS-MSOLQXFVSA-N 1 1 461.408 2.907 20 0 JFADMO COCCCn1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)ccc1=O ZINC001293236497 1065892986 /nfs/dbraw/zinc/89/29/86/1065892986.db2.gz LIKIYMCICBDHOI-UHFFFAOYSA-N 1 1 453.370 2.981 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293239832 1065896418 /nfs/dbraw/zinc/89/64/18/1065896418.db2.gz UGAPRNWGZNWNBY-VWPQPMDRSA-N 1 1 468.646 2.780 20 0 JFADMO O=C(Cc1csc2ccc(Br)cc12)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001293280392 1065931833 /nfs/dbraw/zinc/93/18/33/1065931833.db2.gz DRNWWDIKEPGPMP-QGZVFWFLSA-N 1 1 452.418 2.729 20 0 JFADMO CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001293284858 1065933110 /nfs/dbraw/zinc/93/31/10/1065933110.db2.gz ZIWAAIQVFFJHDO-OAQYLSRUSA-N 1 1 457.644 2.611 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293301260 1065941796 /nfs/dbraw/zinc/94/17/96/1065941796.db2.gz JNYVZFUHCZBNTR-TZIWHRDSSA-N 1 1 488.702 2.999 20 0 JFADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C ZINC001293337542 1065954592 /nfs/dbraw/zinc/95/45/92/1065954592.db2.gz YRXGPIIQUGMSRL-UXHICEINSA-N 1 1 482.695 2.500 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001293359141 1065963490 /nfs/dbraw/zinc/96/34/90/1065963490.db2.gz LNVKOLYTCINGRA-BJKOFHAPSA-N 1 1 497.688 2.536 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001293359144 1065963787 /nfs/dbraw/zinc/96/37/87/1065963787.db2.gz LNVKOLYTCINGRA-ZEQRLZLVSA-N 1 1 497.688 2.536 20 0 JFADMO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361388 1065965104 /nfs/dbraw/zinc/96/51/04/1065965104.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361388 1065965119 /nfs/dbraw/zinc/96/51/19/1065965119.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361477 1065965512 /nfs/dbraw/zinc/96/55/12/1065965512.db2.gz AIVGBUWAIKTMLP-WEMPKCCASA-N 1 1 452.669 2.922 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(Br)c(C)c3N)CC2)CC1 ZINC001293362447 1065966298 /nfs/dbraw/zinc/96/62/98/1065966298.db2.gz OVUVXMARQGANFS-UHFFFAOYSA-N 1 1 451.409 2.746 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC001293363085 1065967068 /nfs/dbraw/zinc/96/70/68/1065967068.db2.gz SBECZKKAVFIEMV-QFIPXVFZSA-N 1 1 454.537 2.672 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001293363788 1065967538 /nfs/dbraw/zinc/96/75/38/1065967538.db2.gz AFQWMNDJVDANCS-YMPZKCBVSA-N 1 1 483.661 2.972 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001293364300 1065968309 /nfs/dbraw/zinc/96/83/09/1065968309.db2.gz DPRIAHLNZMYMJZ-FQEVSTJZSA-N 1 1 454.623 2.741 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293364270 1065968354 /nfs/dbraw/zinc/96/83/54/1065968354.db2.gz MZHFQYHQBDRERX-AEFFLSMTSA-N 1 1 492.466 2.978 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293364645 1065969374 /nfs/dbraw/zinc/96/93/74/1065969374.db2.gz GQXNNRQMHXPTPT-OALUTQOASA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001293365209 1065970032 /nfs/dbraw/zinc/97/00/32/1065970032.db2.gz SBTZZQOHDZEKEQ-WOJBJXKFSA-N 1 1 461.010 2.814 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369485 1065973053 /nfs/dbraw/zinc/97/30/53/1065973053.db2.gz GWLHZTYVINKLQO-AABGKKOBSA-N 1 1 489.665 2.939 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372249 1065975421 /nfs/dbraw/zinc/97/54/21/1065975421.db2.gz JCFCGPHTONSTMW-NHCUHLMSSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372247 1065975480 /nfs/dbraw/zinc/97/54/80/1065975480.db2.gz JCFCGPHTONSTMW-LEWJYISDSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001293372972 1065976537 /nfs/dbraw/zinc/97/65/37/1065976537.db2.gz LKXMFFIRIFFXFV-NRFANRHFSA-N 1 1 454.619 2.615 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373091 1065976968 /nfs/dbraw/zinc/97/69/68/1065976968.db2.gz PCUDFOZYOHKRLY-CTNGQTDRSA-N 1 1 473.666 2.898 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373470 1065977576 /nfs/dbraw/zinc/97/75/76/1065977576.db2.gz QXWYEECKSIRLRW-ZWKOTPCHSA-N 1 1 459.607 2.926 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001293373875 1065979311 /nfs/dbraw/zinc/97/93/11/1065979311.db2.gz SMSBBOBSOUTUOC-KSZLIROESA-N 1 1 471.572 2.567 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001293373877 1065979332 /nfs/dbraw/zinc/97/93/32/1065979332.db2.gz SMSBBOBSOUTUOC-KZNAEPCWSA-N 1 1 471.572 2.567 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001293373876 1065979348 /nfs/dbraw/zinc/97/93/48/1065979348.db2.gz SMSBBOBSOUTUOC-KURKYZTESA-N 1 1 471.572 2.567 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001293373972 1065979913 /nfs/dbraw/zinc/97/99/13/1065979913.db2.gz UEKPMKJENOWYBD-OAQYLSRUSA-N 1 1 494.731 2.961 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001293373930 1065979944 /nfs/dbraw/zinc/97/99/44/1065979944.db2.gz SLFXMHVZTZXGDM-YPAWHYETSA-N 1 1 485.629 2.502 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374261 1065980191 /nfs/dbraw/zinc/98/01/91/1065980191.db2.gz VLZSQFZDCRBDIC-PKTZIBPZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374650 1065980817 /nfs/dbraw/zinc/98/08/17/1065980817.db2.gz ZGFDCMPAWPAWMD-XZOQPEGZSA-N 1 1 453.635 2.833 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001293377383 1065981931 /nfs/dbraw/zinc/98/19/31/1065981931.db2.gz TZJWEOCSUWGYOT-YSIASYRMSA-N 1 1 451.612 2.581 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293378785 1065982881 /nfs/dbraw/zinc/98/28/81/1065982881.db2.gz LUDRTQYDLIFUCY-LRSLUSHPSA-N 1 1 497.706 2.670 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C ZINC001293379419 1065983701 /nfs/dbraw/zinc/98/37/01/1065983701.db2.gz OXLXJEBWWPGLPU-OAQYLSRUSA-N 1 1 461.699 2.831 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293379844 1065984527 /nfs/dbraw/zinc/98/45/27/1065984527.db2.gz UYJMEPBUMAWCQP-RTBURBONSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001293380524 1065985112 /nfs/dbraw/zinc/98/51/12/1065985112.db2.gz ZQZSOWPYXIAGCG-NRFANRHFSA-N 1 1 470.618 2.799 20 0 JFADMO CC[N@H+](CC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001293384229 1065985765 /nfs/dbraw/zinc/98/57/65/1065985765.db2.gz UPVAQKVWUAMVQV-UHFFFAOYSA-N 1 1 455.416 2.649 20 0 JFADMO CC[N@@H+](CC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001293384229 1065985778 /nfs/dbraw/zinc/98/57/78/1065985778.db2.gz UPVAQKVWUAMVQV-UHFFFAOYSA-N 1 1 455.416 2.649 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407936 1065997280 /nfs/dbraw/zinc/99/72/80/1065997280.db2.gz PVCMXVGHSHDGKB-IMFGXOCKSA-N 1 1 452.521 2.733 20 0 JFADMO CC[C@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+](C)CCOC ZINC001293415801 1066000195 /nfs/dbraw/zinc/00/01/95/1066000195.db2.gz LDBFTELOGYBCTQ-SFHVURJKSA-N 1 1 463.652 2.504 20 0 JFADMO CC[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)CCOC)C1 ZINC001293482021 1066020320 /nfs/dbraw/zinc/02/03/20/1066020320.db2.gz BPWBCMGTNRMGFT-VQTJNVASSA-N 1 1 480.654 2.791 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC[N@H+]1CCOC ZINC001293505227 1066028735 /nfs/dbraw/zinc/02/87/35/1066028735.db2.gz FTQVWVLJWGFKPM-JOCHJYFZSA-N 1 1 486.686 2.972 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC001293506109 1066029675 /nfs/dbraw/zinc/02/96/75/1066029675.db2.gz ANSNZRVOLNILON-JXFKEZNVSA-N 1 1 479.000 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC[N@H+]1CCOC ZINC001293506144 1066029708 /nfs/dbraw/zinc/02/97/08/1066029708.db2.gz BDKLMKBOERZXEQ-OALUTQOASA-N 1 1 464.680 2.593 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@H+]1CCOC ZINC001293507251 1066031431 /nfs/dbraw/zinc/03/14/31/1066031431.db2.gz AGFWRDCWCNEDIA-DENIHFKCSA-N 1 1 493.612 2.574 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCS1 ZINC001293508846 1066033133 /nfs/dbraw/zinc/03/31/33/1066033133.db2.gz FTBMBZGQJSBAIJ-VQTJNVASSA-N 1 1 486.690 2.531 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001293510105 1066035093 /nfs/dbraw/zinc/03/50/93/1066035093.db2.gz PQFKTJZILWMKFQ-MOPGFXCFSA-N 1 1 468.593 2.887 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCS1 ZINC001293511983 1066038516 /nfs/dbraw/zinc/03/85/16/1066038516.db2.gz YGBFLBCBXJTPOZ-KZNAEPCWSA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293517501 1066040267 /nfs/dbraw/zinc/04/02/67/1066040267.db2.gz DMRHYVQDOXSAQA-NRFANRHFSA-N 1 1 456.635 2.861 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC[N@H+]1CCOC ZINC001293518563 1066040915 /nfs/dbraw/zinc/04/09/15/1066040915.db2.gz HFLWOXXMIBFQLU-FQEVSTJZSA-N 1 1 452.607 2.752 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC001293519851 1066041265 /nfs/dbraw/zinc/04/12/65/1066041265.db2.gz OCLKCJMMILJNRA-OAQYLSRUSA-N 1 1 474.625 2.621 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CC[N@H+]1CCOC ZINC001293519877 1066041372 /nfs/dbraw/zinc/04/13/72/1066041372.db2.gz OJXSIPOXKBPMKH-SFHVURJKSA-N 1 1 455.607 2.878 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293524073 1066045166 /nfs/dbraw/zinc/04/51/66/1066045166.db2.gz KRVIPQRSEXHCOS-NRYAXDJKSA-N 1 1 493.649 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524098 1066045284 /nfs/dbraw/zinc/04/52/84/1066045284.db2.gz KXZWMWLPFAHUQN-AQNXPRMDSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524100 1066045391 /nfs/dbraw/zinc/04/53/91/1066045391.db2.gz KXZWMWLPFAHUQN-SLFFLAALSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CCN1CCOC ZINC001293530369 1066049443 /nfs/dbraw/zinc/04/94/43/1066049443.db2.gz OUSVLYHYCNLWJA-GGAORHGYSA-N 1 1 456.635 2.979 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001293530919 1066050553 /nfs/dbraw/zinc/05/05/53/1066050553.db2.gz IYNAUHYQFIHYCK-JOCHJYFZSA-N 1 1 468.646 2.773 20 0 JFADMO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293534423 1066053079 /nfs/dbraw/zinc/05/30/79/1066053079.db2.gz WRZCZAOWPMIUIH-IBGZPJMESA-N 1 1 455.571 2.669 20 0 JFADMO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293534424 1066053288 /nfs/dbraw/zinc/05/32/88/1066053288.db2.gz WRZCZAOWPMIUIH-LJQANCHMSA-N 1 1 455.571 2.669 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCO2)CC[N@H+]1CCOC ZINC001293537179 1066054355 /nfs/dbraw/zinc/05/43/55/1066054355.db2.gz IBBQJDFBNKBEKF-QZTJIDSGSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001293537237 1066054410 /nfs/dbraw/zinc/05/44/10/1066054410.db2.gz IUIROEIEZKLFTG-ROUUACIJSA-N 1 1 481.439 2.888 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC[N@H+]1CCOC ZINC001293537523 1066054660 /nfs/dbraw/zinc/05/46/60/1066054660.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)CC[N@@H+]1CCOC ZINC001293537523 1066054674 /nfs/dbraw/zinc/05/46/74/1066054674.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nc(C)n[nH]2)CC[N@H+]1CCOC ZINC001293537523 1066054688 /nfs/dbraw/zinc/05/46/88/1066054688.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 1 458.998 2.815 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539696 1066058159 /nfs/dbraw/zinc/05/81/59/1066058159.db2.gz LFEFKDVGPJLYCR-TZIWHRDSSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539696 1066058167 /nfs/dbraw/zinc/05/81/67/1066058167.db2.gz LFEFKDVGPJLYCR-TZIWHRDSSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539696 1066058178 /nfs/dbraw/zinc/05/81/78/1066058178.db2.gz LFEFKDVGPJLYCR-TZIWHRDSSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H]2C)C[C@H](C)O1 ZINC001293540976 1066060329 /nfs/dbraw/zinc/06/03/29/1066060329.db2.gz RVBWWYQPWPBQRM-WSTZPKSXSA-N 1 1 461.632 2.837 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](COC)OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293549466 1066065766 /nfs/dbraw/zinc/06/57/66/1066065766.db2.gz LSUCGCKUWLSCEG-UIFIKXQLSA-N 1 1 464.010 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293549755 1066065790 /nfs/dbraw/zinc/06/57/90/1066065790.db2.gz QRGBNJBYKZWGED-YLJYHZDGSA-N 1 1 461.010 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293552369 1066067440 /nfs/dbraw/zinc/06/74/40/1066067440.db2.gz BPRUDJYWWPMMGJ-MRXNPFEDSA-N 1 1 463.011 2.749 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@@H+](C)CCOC)CCO1 ZINC001293553401 1066068232 /nfs/dbraw/zinc/06/82/32/1066068232.db2.gz DTKLBAPUQHVKNS-KRWDZBQOSA-N 1 1 482.423 2.910 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293556346 1066070513 /nfs/dbraw/zinc/07/05/13/1066070513.db2.gz HUXDUSADYFKKRP-TYFQNXAESA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293556346 1066070521 /nfs/dbraw/zinc/07/05/21/1066070521.db2.gz HUXDUSADYFKKRP-TYFQNXAESA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC[N@H+]1CCOC ZINC001293559119 1066073222 /nfs/dbraw/zinc/07/32/22/1066073222.db2.gz UDEFTCLMWRRGBT-FQEVSTJZSA-N 1 1 473.618 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293562805 1066076143 /nfs/dbraw/zinc/07/61/43/1066076143.db2.gz VSPQJGJPDNSLJT-IFMALSPDSA-N 1 1 454.619 2.654 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001293563874 1066076625 /nfs/dbraw/zinc/07/66/25/1066076625.db2.gz DFBQJDNOJIFBFK-GOSISDBHSA-N 1 1 461.010 2.672 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293566126 1066078331 /nfs/dbraw/zinc/07/83/31/1066078331.db2.gz CHRJVIFQOUWUQO-ICSRJNTNSA-N 1 1 496.578 2.995 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@H+]1CCOC ZINC001293567672 1066080690 /nfs/dbraw/zinc/08/06/90/1066080690.db2.gz KGVKISQBODNEEN-QFIPXVFZSA-N 1 1 463.586 2.894 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC[N@H+]1CCOC ZINC001293568775 1066081484 /nfs/dbraw/zinc/08/14/84/1066081484.db2.gz SAUDGAPPVOSYOL-WMZOPIPTSA-N 1 1 456.513 2.855 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293570591 1066082749 /nfs/dbraw/zinc/08/27/49/1066082749.db2.gz GZPGJDCNMYCNNT-SQJMNOBHSA-N 1 1 470.593 2.877 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC[N@H+]1CCOC ZINC001293571070 1066083092 /nfs/dbraw/zinc/08/30/92/1066083092.db2.gz JPCWJSQUSKJRSD-IBGZPJMESA-N 1 1 473.528 2.932 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001293574597 1066085531 /nfs/dbraw/zinc/08/55/31/1066085531.db2.gz GHLGKGSBMWFZOW-GOSISDBHSA-N 1 1 478.523 2.688 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293575611 1066086222 /nfs/dbraw/zinc/08/62/22/1066086222.db2.gz NTGZUSYXJASUKP-HYBUGGRVSA-N 1 1 486.020 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293577580 1066088087 /nfs/dbraw/zinc/08/80/87/1066088087.db2.gz FVDIXOMDLFSEFT-XMERXJNXSA-N 1 1 499.660 2.845 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001293577785 1066088443 /nfs/dbraw/zinc/08/84/43/1066088443.db2.gz XZBDJECOQJDQOE-APWZRJJASA-N 1 1 454.579 2.691 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(N)=O)c2)CC[N@H+]1CCOC ZINC001293579977 1066089886 /nfs/dbraw/zinc/08/98/86/1066089886.db2.gz SNOPFGRCRCPEHK-QFIPXVFZSA-N 1 1 477.613 2.537 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001293582050 1066091161 /nfs/dbraw/zinc/09/11/61/1066091161.db2.gz HPYABESLYJZTAR-MJGOQNOKSA-N 1 1 498.525 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@H+]1CCOC ZINC001293583200 1066092419 /nfs/dbraw/zinc/09/24/19/1066092419.db2.gz NFZCUYLPEGQLTQ-MOPGFXCFSA-N 1 1 492.571 2.734 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293588496 1066097100 /nfs/dbraw/zinc/09/71/00/1066097100.db2.gz WYCNUDQAWOQEKD-JOCHJYFZSA-N 1 1 454.619 2.831 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293588497 1066097145 /nfs/dbraw/zinc/09/71/45/1066097145.db2.gz WYCNUDQAWOQEKD-QFIPXVFZSA-N 1 1 454.619 2.831 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCN1CCOC ZINC001293592702 1066098156 /nfs/dbraw/zinc/09/81/56/1066098156.db2.gz CVWYRDJZDHJFHG-MZYLBHOOSA-N 1 1 474.625 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001293593977 1066100569 /nfs/dbraw/zinc/10/05/69/1066100569.db2.gz IXMLWBWSCGRDHN-DVECYGJZSA-N 1 1 494.706 2.791 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001293599664 1066114111 /nfs/dbraw/zinc/11/41/11/1066114111.db2.gz NOGHQMDWQZFHJU-PLACYPQZSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293610479 1066125750 /nfs/dbraw/zinc/12/57/50/1066125750.db2.gz DCSGBTBPCXZFQV-FGZHOGPDSA-N 1 1 478.037 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293612262 1066128126 /nfs/dbraw/zinc/12/81/26/1066128126.db2.gz LEWDBZRGNIOQAT-RBBKRZOGSA-N 1 1 456.635 2.874 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293612686 1066129630 /nfs/dbraw/zinc/12/96/30/1066129630.db2.gz PFRKMRRGAYGDAA-PZJWPPBQSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293612686 1066129635 /nfs/dbraw/zinc/12/96/35/1066129635.db2.gz PFRKMRRGAYGDAA-PZJWPPBQSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293613767 1066131527 /nfs/dbraw/zinc/13/15/27/1066131527.db2.gz UWVVYMMFRZSAAA-HXUWFJFHSA-N 1 1 455.632 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001293616142 1066132026 /nfs/dbraw/zinc/13/20/26/1066132026.db2.gz CWFKCFGUUZFOBE-HXUWFJFHSA-N 1 1 455.632 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293616858 1066133714 /nfs/dbraw/zinc/13/37/14/1066133714.db2.gz PDCQPKZXILNUNK-YKSBVNFPSA-N 1 1 470.643 2.780 20 0 JFADMO CC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293625098 1066140041 /nfs/dbraw/zinc/14/00/41/1066140041.db2.gz ACBMPBZKFYRIAH-DHIUTWEWSA-N 1 1 482.673 2.773 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293624118 1066140168 /nfs/dbraw/zinc/14/01/68/1066140168.db2.gz VCNHIZYLQKGIDR-QPPBQGQZSA-N 1 1 464.724 2.995 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC[N@H+]1CCOC ZINC001293629550 1066144068 /nfs/dbraw/zinc/14/40/68/1066144068.db2.gz LVMWVMSKPQIXPI-JOCHJYFZSA-N 1 1 472.609 2.638 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293632889 1066147586 /nfs/dbraw/zinc/14/75/86/1066147586.db2.gz XMHHHQMYQTXYLV-NVQXNPDNSA-N 1 1 499.660 2.804 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293643622 1066159142 /nfs/dbraw/zinc/15/91/42/1066159142.db2.gz GADVAFZYDAUNCH-WOJBJXKFSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293651585 1066163673 /nfs/dbraw/zinc/16/36/73/1066163673.db2.gz MMJJGLQNTXEWOU-PXNSSMCTSA-N 1 1 493.077 2.907 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@](C)(O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293652887 1066165171 /nfs/dbraw/zinc/16/51/71/1066165171.db2.gz YXQPDLWDIFXOLX-QFZWGZQFSA-N 1 1 457.619 2.874 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC001293653468 1066166106 /nfs/dbraw/zinc/16/61/06/1066166106.db2.gz OVVLBAAHKMBXPI-BVSLBCMMSA-N 1 1 461.582 2.737 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293653800 1066166414 /nfs/dbraw/zinc/16/64/14/1066166414.db2.gz QQNBWWJVJDKYTL-IMSXRSKXSA-N 1 1 461.582 2.723 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001293658378 1066167509 /nfs/dbraw/zinc/16/75/09/1066167509.db2.gz HIGAZALIFPLLBV-IPJJNNNSSA-N 1 1 479.572 2.876 20 0 JFADMO C[C@@H]1C[C@@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001293663577 1066168802 /nfs/dbraw/zinc/16/88/02/1066168802.db2.gz LXGRGVLZKFBBCY-OFNKIYASSA-N 1 1 451.567 2.881 20 0 JFADMO CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293711183 1066179920 /nfs/dbraw/zinc/17/99/20/1066179920.db2.gz CEHLJOUURNANSX-QLLCAIDHSA-N 1 1 466.630 2.833 20 0 JFADMO CC/C=C/Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001293721993 1066182084 /nfs/dbraw/zinc/18/20/84/1066182084.db2.gz QVJGIJSHIBWVNW-WLMAVBAVSA-N 1 1 458.632 2.783 20 0 JFADMO CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723389 1066183148 /nfs/dbraw/zinc/18/31/48/1066183148.db2.gz OHPCUJDDQSGVBP-HSZRJFAPSA-N 1 1 454.619 2.900 20 0 JFADMO CC/C=C\Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293726204 1066184598 /nfs/dbraw/zinc/18/45/98/1066184598.db2.gz PPYZIWZLOWRAGN-GOTJZHLVSA-N 1 1 460.667 2.891 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1C[N@@H+](C)CCN1C ZINC001293744586 1066213486 /nfs/dbraw/zinc/21/34/86/1066213486.db2.gz JATZQIVPIRTXCE-MHECFPHRSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC001293744586 1066213513 /nfs/dbraw/zinc/21/35/13/1066213513.db2.gz JATZQIVPIRTXCE-MHECFPHRSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CN(C)CC[N@H+]1C ZINC001293744586 1066213531 /nfs/dbraw/zinc/21/35/31/1066213531.db2.gz JATZQIVPIRTXCE-MHECFPHRSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC001293745384 1066215087 /nfs/dbraw/zinc/21/50/87/1066215087.db2.gz PGHOOIDWYSTOOM-YMTOWFKASA-N 1 1 456.155 2.962 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)C1 ZINC001293748950 1066220777 /nfs/dbraw/zinc/22/07/77/1066220777.db2.gz BQYNQTZZXDZXED-SFHVURJKSA-N 1 1 480.617 2.819 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001293761600 1066245575 /nfs/dbraw/zinc/24/55/75/1066245575.db2.gz IMUMJLJMNBHOLN-UHFFFAOYSA-N 1 1 473.666 2.664 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001293787522 1066293212 /nfs/dbraw/zinc/29/32/12/1066293212.db2.gz COPUETIKIFWAJL-QHAWAJNXSA-N 1 1 473.666 2.626 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001293789403 1066297538 /nfs/dbraw/zinc/29/75/38/1066297538.db2.gz PSZPNLBBONPNMY-PXDATVDWSA-N 1 1 492.734 2.817 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293795894 1066303753 /nfs/dbraw/zinc/30/37/53/1066303753.db2.gz WTRJWCFXMCAILV-NLFFAJNJSA-N 1 1 489.064 2.722 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001293824587 1066333510 /nfs/dbraw/zinc/33/35/10/1066333510.db2.gz XSIFVFPXSCEMRK-CPJSRVTESA-N 1 1 473.618 2.673 20 0 JFADMO CCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001293833988 1066338285 /nfs/dbraw/zinc/33/82/85/1066338285.db2.gz GMDZTJMGCGPAJB-MHZLTWQESA-N 1 1 482.673 2.749 20 0 JFADMO CCC[C@](C)(O)Cn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001293833988 1066338302 /nfs/dbraw/zinc/33/83/02/1066338302.db2.gz GMDZTJMGCGPAJB-MHZLTWQESA-N 1 1 482.673 2.749 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293834393 1066338812 /nfs/dbraw/zinc/33/88/12/1066338812.db2.gz HWBLKAWMHPDCHA-LFAGZIFBSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001293852617 1066358644 /nfs/dbraw/zinc/35/86/44/1066358644.db2.gz YBCQPFUECKTMMR-KOSHJBKYSA-N 1 1 490.052 2.847 20 0 JFADMO Cn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)ccc1-c1ccc(F)cc1 ZINC001293855035 1066362177 /nfs/dbraw/zinc/36/21/77/1066362177.db2.gz KONIUMYQGSFNEH-UHFFFAOYSA-N 1 1 456.562 2.522 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293866575 1066377843 /nfs/dbraw/zinc/37/78/43/1066377843.db2.gz CCLWLORDQKWUON-TUNNFDKTSA-N 1 1 460.667 2.720 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001293890221 1066391916 /nfs/dbraw/zinc/39/19/16/1066391916.db2.gz XSFAEIDJYBOSDR-WOZUAGRISA-N 1 1 484.711 2.604 20 0 JFADMO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001293914586 1066398937 /nfs/dbraw/zinc/39/89/37/1066398937.db2.gz PRCMIGKLKKOMCZ-UHFFFAOYSA-N 1 1 458.628 2.610 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293935957 1066417739 /nfs/dbraw/zinc/41/77/39/1066417739.db2.gz GQDUNJWLAZQKPR-RTWAWAEBSA-N 1 1 483.661 2.972 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCOCC2)C1 ZINC001293935839 1066417903 /nfs/dbraw/zinc/41/79/03/1066417903.db2.gz GIZQVFMHFSRSDL-IFMALSPDSA-N 1 1 469.634 2.584 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001293939095 1066423404 /nfs/dbraw/zinc/42/34/04/1066423404.db2.gz UMBBZTIMXIVANN-ZVDOUQERSA-N 1 1 456.639 2.684 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293948317 1066447143 /nfs/dbraw/zinc/44/71/43/1066447143.db2.gz YHARVQFQCPWYMR-UTAZYMRLSA-N 1 1 486.636 2.596 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001293957048 1066455130 /nfs/dbraw/zinc/45/51/30/1066455130.db2.gz QKMFNSJUDKMKJU-CTUHWIOQSA-N 1 1 484.645 2.758 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001293962973 1066462855 /nfs/dbraw/zinc/46/28/55/1066462855.db2.gz RGNHZSLJYCGSII-WOJBJXKFSA-N 1 1 459.591 2.688 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001293962973 1066462858 /nfs/dbraw/zinc/46/28/58/1066462858.db2.gz RGNHZSLJYCGSII-WOJBJXKFSA-N 1 1 459.591 2.688 20 0 JFADMO CCC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001293983190 1066488366 /nfs/dbraw/zinc/48/83/66/1066488366.db2.gz HPHUJBAXQURMMP-IRLDBZIGSA-N 1 1 454.619 2.926 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294007723 1066507021 /nfs/dbraw/zinc/50/70/21/1066507021.db2.gz XQBFTYRHLTVWDB-XUZZJYLKSA-N 1 1 497.688 2.584 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC[N@H+]1CCOC ZINC001294054271 1066525494 /nfs/dbraw/zinc/52/54/94/1066525494.db2.gz FVFWLROUAKTHCF-FQEVSTJZSA-N 1 1 488.608 2.647 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001294064907 1066535471 /nfs/dbraw/zinc/53/54/71/1066535471.db2.gz SLBQFZGMQQGPPU-DMJCMNNJSA-N 1 1 458.603 2.945 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC[N@H+]1CCOC ZINC001294068731 1066539293 /nfs/dbraw/zinc/53/92/93/1066539293.db2.gz XDWJHOKOPVUWDG-RTBURBONSA-N 1 1 490.052 2.845 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294073137 1066542468 /nfs/dbraw/zinc/54/24/68/1066542468.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 1 1 474.625 2.742 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294073138 1066542635 /nfs/dbraw/zinc/54/26/35/1066542635.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 1 1 474.625 2.742 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC[N@H+]1CCOC ZINC001294075505 1066544159 /nfs/dbraw/zinc/54/41/59/1066544159.db2.gz ADWOLNQBLPTJHJ-KCZVDYSFSA-N 1 1 457.623 2.733 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001294080190 1066548697 /nfs/dbraw/zinc/54/86/97/1066548697.db2.gz COKZGOSHHSHSRN-PKOBYXMFSA-N 1 1 458.573 2.977 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294081046 1066549197 /nfs/dbraw/zinc/54/91/97/1066549197.db2.gz LTQIBLQGEKWWKG-RTWAWAEBSA-N 1 1 460.623 2.957 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001294082197 1066550748 /nfs/dbraw/zinc/55/07/48/1066550748.db2.gz QOZCWNCBYRFYCR-WOJBJXKFSA-N 1 1 467.680 2.631 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001294082373 1066551253 /nfs/dbraw/zinc/55/12/53/1066551253.db2.gz QVSKTYLEGRRZHF-BPYKYCOYSA-N 1 1 475.634 2.837 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001294083051 1066552863 /nfs/dbraw/zinc/55/28/63/1066552863.db2.gz MKETYTMIHKCBHL-OTWHNJEPSA-N 1 1 468.593 2.992 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294084148 1066553672 /nfs/dbraw/zinc/55/36/72/1066553672.db2.gz ZACUMUHIYILXBP-FGZHOGPDSA-N 1 1 472.634 2.687 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@H+]1CCOC ZINC001294086830 1066558257 /nfs/dbraw/zinc/55/82/57/1066558257.db2.gz YYNFMZIFZZSVBY-XLIONFOSSA-N 1 1 491.036 2.877 20 0 JFADMO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC[N@H+]1CCOC ZINC001294087838 1066560127 /nfs/dbraw/zinc/56/01/27/1066560127.db2.gz XYNBOVXTOJMORS-CPJSRVTESA-N 1 1 460.667 2.815 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC[N@H+]1CCOC ZINC001294087879 1066560518 /nfs/dbraw/zinc/56/05/18/1066560518.db2.gz YIFFNINKBXEZQI-RZTXVSJASA-N 1 1 473.618 2.889 20 0 JFADMO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000009833700 562956967 /nfs/dbraw/zinc/95/69/67/562956967.db2.gz PXCSFYDKFROWTD-UHFFFAOYSA-N 1 1 494.617 2.985 20 0 JFADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC4)COCC(=O)N5)c32)C1 ZINC001164423100 718935405 /nfs/dbraw/zinc/93/54/05/718935405.db2.gz DISAYLWCZURYLD-MRXNPFEDSA-N 1 1 455.628 2.897 20 0 JFADMO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)c2ccccc21 ZINC001164630665 719140566 /nfs/dbraw/zinc/14/05/66/719140566.db2.gz LIMLAFXLYJXYCO-QHCPKHFHSA-N 1 1 478.641 2.706 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164664093 719356546 /nfs/dbraw/zinc/35/65/46/719356546.db2.gz KJALHYGDWOPGOV-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)n1 ZINC001164662939 719356823 /nfs/dbraw/zinc/35/68/23/719356823.db2.gz AYMDJIVFSRHHIQ-FQEVSTJZSA-N 1 1 467.952 2.963 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nccnc4Cl)C3)C2)cc[nH+]1 ZINC001164665935 719357598 /nfs/dbraw/zinc/35/75/98/719357598.db2.gz ZMDIZQHJVJTCJQ-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO Cc1cc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)c(Cl)nn1 ZINC001164664895 719357842 /nfs/dbraw/zinc/35/78/42/719357842.db2.gz RSACRGKKBKTHSK-HXUWFJFHSA-N 1 1 467.952 2.963 20 0 JFADMO C[N@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164668227 719440062 /nfs/dbraw/zinc/44/00/62/719440062.db2.gz IVAZGFBACICQMV-UXHICEINSA-N 1 1 451.596 2.710 20 0 JFADMO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164671665 719444162 /nfs/dbraw/zinc/44/41/62/719444162.db2.gz QOEWDKRKLZNRDB-IRXDYDNUSA-N 1 1 459.616 2.682 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(CN5CCOCC5)nnc4C3)c2c1C ZINC001164679700 719585667 /nfs/dbraw/zinc/58/56/67/719585667.db2.gz DUGMVYPVCAWRFB-UHFFFAOYSA-N 1 1 482.658 2.738 20 0 JFADMO CN1CCN(c2cccc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)n2)CC1 ZINC001164688486 719592552 /nfs/dbraw/zinc/59/25/52/719592552.db2.gz WVJOFLRYBNRMMM-OAQYLSRUSA-N 1 1 455.628 2.561 20 0 JFADMO COC(=O)c1cc2c(ncnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH]1 ZINC001164680203 719660686 /nfs/dbraw/zinc/66/06/86/719660686.db2.gz DDGBNQGQTVZMSE-GOSISDBHSA-N 1 1 490.608 2.790 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCOCC4)nc4c2CCN4)CC3)cs1 ZINC001164691995 719806841 /nfs/dbraw/zinc/80/68/41/719806841.db2.gz DVKHOILOJJZECM-UHFFFAOYSA-N 1 1 455.632 2.681 20 0 JFADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702711 719848396 /nfs/dbraw/zinc/84/83/96/719848396.db2.gz PDQSXDPORWBCBQ-YIXXDRMTSA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702711 719848397 /nfs/dbraw/zinc/84/83/97/719848397.db2.gz PDQSXDPORWBCBQ-YIXXDRMTSA-N 1 1 464.610 2.873 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1C ZINC001164699245 719867297 /nfs/dbraw/zinc/86/72/97/719867297.db2.gz BCCFDRFHXXLHSM-QMHKHESXSA-N 1 1 476.599 2.718 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164716980 720125451 /nfs/dbraw/zinc/12/54/51/720125451.db2.gz MTFQQXCCIYENFS-IBGZPJMESA-N 1 1 462.554 2.714 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)CC2 ZINC001164713612 720129877 /nfs/dbraw/zinc/12/98/77/720129877.db2.gz SURSRHOSNUOVLX-QHCPKHFHSA-N 1 1 494.640 2.769 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001164820138 720152538 /nfs/dbraw/zinc/15/25/38/720152538.db2.gz ZPLXCTRNSDCGNX-NTKDMRAZSA-N 1 1 472.611 2.857 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815943 720157944 /nfs/dbraw/zinc/15/79/44/720157944.db2.gz IZKLKEWVGZPRNX-PXDATVDWSA-N 1 1 481.622 2.853 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711809 720157966 /nfs/dbraw/zinc/15/79/66/720157966.db2.gz CFURTZRHDJYSFT-GOSISDBHSA-N 1 1 458.994 2.782 20 0 JFADMO CN(C)C(=O)N1CC2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164711889 720159869 /nfs/dbraw/zinc/15/98/69/720159869.db2.gz DHZBESPAHWLLSV-RUZDIDTESA-N 1 1 489.064 2.763 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815251 720206478 /nfs/dbraw/zinc/20/64/78/720206478.db2.gz XXISVHJEMCBKOM-KKSFZXQISA-N 1 1 456.418 2.805 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814640 720210586 /nfs/dbraw/zinc/21/05/86/720210586.db2.gz VNFOLHGFQWZFLU-UHFFFAOYSA-N 1 1 484.935 2.659 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814028 720222506 /nfs/dbraw/zinc/22/25/06/720222506.db2.gz RFWFLWSISUTYNU-UHFFFAOYSA-N 1 1 481.022 2.836 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CCC2 ZINC001164812823 720240322 /nfs/dbraw/zinc/24/03/22/720240322.db2.gz IVBAUQFLAVFYNB-FQEVSTJZSA-N 1 1 474.915 2.743 20 0 JFADMO COC(=O)c1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c2ccccc2c1OC ZINC001164814529 720241491 /nfs/dbraw/zinc/24/14/91/720241491.db2.gz XDVISWNJRZOLKC-UHFFFAOYSA-N 1 1 465.554 2.837 20 0 JFADMO COc1ccc(CN(C)c2ccnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)n2)cc1 ZINC001164817779 720244335 /nfs/dbraw/zinc/24/43/35/720244335.db2.gz UMKMJAJYDKBMFV-UHFFFAOYSA-N 1 1 477.613 2.929 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164818214 720273903 /nfs/dbraw/zinc/27/39/03/720273903.db2.gz JLLQABHDUIHICZ-HNVPCBRESA-N 1 1 480.613 2.603 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164818215 720274738 /nfs/dbraw/zinc/27/47/38/720274738.db2.gz JLLQABHDUIHICZ-POGFHVCPSA-N 1 1 480.613 2.603 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164818216 720275204 /nfs/dbraw/zinc/27/52/04/720275204.db2.gz JLLQABHDUIHICZ-SYVJQLTCSA-N 1 1 480.613 2.603 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)n1 ZINC001164722729 720287032 /nfs/dbraw/zinc/28/70/32/720287032.db2.gz QZKHEYAOOGZHSM-VWLOTQADSA-N 1 1 488.702 2.815 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)c(OC)cc43)C2)C1 ZINC001164722751 720311142 /nfs/dbraw/zinc/31/11/42/720311142.db2.gz LFNXMCRMOFZMQY-QFIPXVFZSA-N 1 1 450.942 2.701 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc4cc(F)c(OC)cc43)C2)C1 ZINC001164722751 720311148 /nfs/dbraw/zinc/31/11/48/720311148.db2.gz LFNXMCRMOFZMQY-QFIPXVFZSA-N 1 1 450.942 2.701 20 0 JFADMO COCCOc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1OCCOC ZINC001164727769 720348160 /nfs/dbraw/zinc/34/81/60/720348160.db2.gz UNDHFQUMOAEWID-PKTZIBPZSA-N 1 1 479.581 2.928 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723193 720349887 /nfs/dbraw/zinc/34/98/87/720349887.db2.gz HOQCCOSMJNHXIG-IAGOWNOFSA-N 1 1 450.921 2.760 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723193 720349893 /nfs/dbraw/zinc/34/98/93/720349893.db2.gz HOQCCOSMJNHXIG-IAGOWNOFSA-N 1 1 450.921 2.760 20 0 JFADMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC3)C2=O)cs1 ZINC001164821858 720383806 /nfs/dbraw/zinc/38/38/06/720383806.db2.gz JXHIEICXOWVZAM-UHFFFAOYSA-N 1 1 484.670 2.633 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164729314 720428349 /nfs/dbraw/zinc/42/83/49/720428349.db2.gz GWQGTYONFRENCA-FGZHOGPDSA-N 1 1 460.563 2.917 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)nc1 ZINC001164834454 720478958 /nfs/dbraw/zinc/47/89/58/720478958.db2.gz SFOVYCUELQKHOO-VWNXMTODSA-N 1 1 468.646 2.815 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC001164733317 720520730 /nfs/dbraw/zinc/52/07/30/720520730.db2.gz IXJXYGKSQXKVDC-SFHVURJKSA-N 1 1 470.599 2.676 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164837303 720569410 /nfs/dbraw/zinc/56/94/10/720569410.db2.gz LPSDLIHAQCRGJY-RJGXRXQPSA-N 1 1 481.645 2.830 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)C1 ZINC001164838783 720606674 /nfs/dbraw/zinc/60/66/74/720606674.db2.gz LWDPDHZLBBSPSR-BXXSPATCSA-N 1 1 481.645 2.830 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC[C@@H]21 ZINC001164835556 720611067 /nfs/dbraw/zinc/61/10/67/720611067.db2.gz BFLHAQXZDFNWEX-ONTIZHBOSA-N 1 1 473.021 2.782 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164742962 720638886 /nfs/dbraw/zinc/63/88/86/720638886.db2.gz NRMSXYSWASKNHC-VQTJNVASSA-N 1 1 478.000 2.820 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164742958 720638940 /nfs/dbraw/zinc/63/89/40/720638940.db2.gz NRMSXYSWASKNHC-PMACEKPBSA-N 1 1 478.000 2.820 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164838272 720657460 /nfs/dbraw/zinc/65/74/60/720657460.db2.gz GWDIFPBSZAIKEM-QGZVFWFLSA-N 1 1 450.992 2.793 20 0 JFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744280 720677342 /nfs/dbraw/zinc/67/73/42/720677342.db2.gz YYZPPRWDERYKIA-JKSUJKDBSA-N 1 1 452.540 2.514 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164836417 720721966 /nfs/dbraw/zinc/72/19/66/720721966.db2.gz AERSUEUMRHGDCF-KRWDZBQOSA-N 1 1 450.992 2.642 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164740356 720749356 /nfs/dbraw/zinc/74/93/56/720749356.db2.gz KFXIDPLEXYMCGF-UONOGXRCSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164740356 720749362 /nfs/dbraw/zinc/74/93/62/720749362.db2.gz KFXIDPLEXYMCGF-UONOGXRCSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164747810 720812301 /nfs/dbraw/zinc/81/23/01/720812301.db2.gz POGCMGBGLKOZJM-LZLYRXPVSA-N 1 1 495.962 2.823 20 0 JFADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740804 720814464 /nfs/dbraw/zinc/81/44/64/720814464.db2.gz AJEPVDSLXWIVJE-SONWIMMPSA-N 1 1 471.609 2.983 20 0 JFADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737992 720828546 /nfs/dbraw/zinc/82/85/46/720828546.db2.gz DBQBPOPIJJKACM-SFHLNBCPSA-N 1 1 451.575 2.502 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740597 720835591 /nfs/dbraw/zinc/83/55/91/720835591.db2.gz DAONOHLJMYETNM-QZNHQXDQSA-N 1 1 487.587 2.985 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164745764 720839091 /nfs/dbraw/zinc/83/90/91/720839091.db2.gz NGDMGAABSQSOQK-ZHALLVOQSA-N 1 1 467.599 2.839 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH]c(Cl)cc-2n1 ZINC001164744736 720839682 /nfs/dbraw/zinc/83/96/82/720839682.db2.gz LNGUDOORFIBQEM-TWOQFEAHSA-N 1 1 469.977 2.974 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748272 720840643 /nfs/dbraw/zinc/84/06/43/720840643.db2.gz SVCNVCYXIOFRPN-RCZSKKKRSA-N 1 1 467.618 2.529 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854292 720842403 /nfs/dbraw/zinc/84/24/03/720842403.db2.gz RCKFTPOIBVRFAE-TZIWHRDSSA-N 1 1 458.990 2.839 20 0 JFADMO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)no1 ZINC001164740603 720845525 /nfs/dbraw/zinc/84/55/25/720845525.db2.gz DCEOQNFAEGODEU-QKNQBKEWSA-N 1 1 462.558 2.601 20 0 JFADMO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747544 720847043 /nfs/dbraw/zinc/84/70/43/720847043.db2.gz RFDJSXZITCLODV-IXDOHACOSA-N 1 1 453.925 2.568 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164743541 720849121 /nfs/dbraw/zinc/84/91/21/720849121.db2.gz IZGXXMRSASYHPJ-VXPBHUBDSA-N 1 1 487.674 2.519 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164748278 720849822 /nfs/dbraw/zinc/84/98/22/720849822.db2.gz SVQOUZDNEHSNTJ-KJXAQDMKSA-N 1 1 487.674 2.519 20 0 JFADMO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752020 720854125 /nfs/dbraw/zinc/85/41/25/720854125.db2.gz SMDFLNRQPGDJKA-SOUVJXGZSA-N 1 1 460.373 2.698 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164753603 720856526 /nfs/dbraw/zinc/85/65/26/720856526.db2.gz YPDCLXOJXMTKPD-GVDBMIGSSA-N 1 1 466.968 2.712 20 0 JFADMO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749612 720859651 /nfs/dbraw/zinc/85/96/51/720859651.db2.gz NWJMLMAUTJJUGA-YQQAZPJKSA-N 1 1 453.925 2.654 20 0 JFADMO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749609 720859929 /nfs/dbraw/zinc/85/99/29/720859929.db2.gz NWJMLMAUTJJUGA-HLLBOEOZSA-N 1 1 453.925 2.654 20 0 JFADMO CCOC(=O)c1cncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750803 720867974 /nfs/dbraw/zinc/86/79/74/720867974.db2.gz JWCSEHOCJFNMDF-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164755278 720872852 /nfs/dbraw/zinc/87/28/52/720872852.db2.gz VRNAHBDCENCDAD-RDPSFJRHSA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C(=O)OC ZINC001164755282 720875066 /nfs/dbraw/zinc/87/50/66/720875066.db2.gz VRTIJUYBVAICDA-KDYSTLNUSA-N 1 1 494.592 2.805 20 0 JFADMO CS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755296 720882100 /nfs/dbraw/zinc/88/21/00/720882100.db2.gz VVGFUGCDDYCAJC-XUZZJYLKSA-N 1 1 456.612 2.635 20 0 JFADMO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164865034 720882130 /nfs/dbraw/zinc/88/21/30/720882130.db2.gz XZZWMEZEXINVFP-HRAATJIYSA-N 1 1 499.008 2.848 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(NS(=O)(=O)c4ccc(Cl)nc4)ccc3F)CC[C@H]2C1 ZINC001164865034 720882133 /nfs/dbraw/zinc/88/21/33/720882133.db2.gz XZZWMEZEXINVFP-HRAATJIYSA-N 1 1 499.008 2.848 20 0 JFADMO CS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164752360 720905971 /nfs/dbraw/zinc/90/59/71/720905971.db2.gz NYHWAQQGDJQLJM-URXFXBBRSA-N 1 1 456.612 2.635 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164750695 720912463 /nfs/dbraw/zinc/91/24/63/720912463.db2.gz JZULFLFZTGUYLM-NVQXNPDNSA-N 1 1 497.665 2.672 20 0 JFADMO NC(=O)c1ccnc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754981 720930908 /nfs/dbraw/zinc/93/09/08/720930908.db2.gz XSLNIBZBEHHGTP-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO COCc1nc(OC)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748591 720934019 /nfs/dbraw/zinc/93/40/19/720934019.db2.gz HEFMEIRXMQYNMP-PXDATVDWSA-N 1 1 453.587 2.782 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)C1 ZINC001164859694 721004361 /nfs/dbraw/zinc/00/43/61/721004361.db2.gz LKLFLHXRQDJPSF-RBUKOAKNSA-N 1 1 455.607 2.874 20 0 JFADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164864333 721035655 /nfs/dbraw/zinc/03/56/55/721035655.db2.gz YOGPQFXMPLEMJN-DEOSSOPVSA-N 1 1 468.989 2.570 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164766443 721084976 /nfs/dbraw/zinc/08/49/76/721084976.db2.gz KHHZGYWSSHVMNN-RTWAWAEBSA-N 1 1 491.621 2.669 20 0 JFADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164865372 721107359 /nfs/dbraw/zinc/10/73/59/721107359.db2.gz KLTUOJGNCIRVCI-PKTZIBPZSA-N 1 1 472.597 2.799 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867646 721118720 /nfs/dbraw/zinc/11/87/20/721118720.db2.gz ZFZUSRBQQXUHRI-FCHUYYIVSA-N 1 1 460.582 2.890 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164772234 721131760 /nfs/dbraw/zinc/13/17/60/721131760.db2.gz UOYOSJSRLFFYPB-JAXLGGSGSA-N 1 1 478.645 2.672 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164769890 721132314 /nfs/dbraw/zinc/13/23/14/721132314.db2.gz PXVXGNCXOWTERW-WOIUINJBSA-N 1 1 464.618 2.648 20 0 JFADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879837 721159768 /nfs/dbraw/zinc/15/97/68/721159768.db2.gz UKAHNEXBQLFQAK-FTRWYGJKSA-N 1 1 457.884 2.810 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ncn3)CC2)cc1 ZINC001164875532 721166997 /nfs/dbraw/zinc/16/69/97/721166997.db2.gz LUSLGFPNYPISEO-RPBOFIJWSA-N 1 1 471.609 2.678 20 0 JFADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164769324 721187966 /nfs/dbraw/zinc/18/79/66/721187966.db2.gz MCNKAHZHGLGORL-FCHUYYIVSA-N 1 1 472.593 2.938 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164774389 721198956 /nfs/dbraw/zinc/19/89/56/721198956.db2.gz YUPUYLHKWYNIKO-PMACEKPBSA-N 1 1 493.681 2.704 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164774390 721199179 /nfs/dbraw/zinc/19/91/79/721199179.db2.gz YUPUYLHKWYNIKO-UXHICEINSA-N 1 1 493.681 2.704 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C[C@H]3C2)cn1 ZINC001164765891 721211210 /nfs/dbraw/zinc/21/12/10/721211210.db2.gz IPHNWBOVVMMGFL-GDBMZVCRSA-N 1 1 458.979 2.531 20 0 JFADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164870904 721211944 /nfs/dbraw/zinc/21/19/44/721211944.db2.gz XIBVAOSXMJUZOT-NEKDWFFYSA-N 1 1 484.604 2.988 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC2)C1 ZINC001164869906 721268189 /nfs/dbraw/zinc/26/81/89/721268189.db2.gz UDRNMYNCCOOOPP-UHFFFAOYSA-N 1 1 498.031 2.535 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4cccc(Cl)c43)CC2)C1 ZINC001164868536 721272405 /nfs/dbraw/zinc/27/24/05/721272405.db2.gz AWOGCBSXWSAZCY-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC2)C1 ZINC001164874308 721281912 /nfs/dbraw/zinc/28/19/12/721281912.db2.gz PSCZLRGKBQMZFC-UHFFFAOYSA-N 1 1 475.593 2.732 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc(-c4ccc(F)cc4)n3)CC2)C1 ZINC001164875858 721287129 /nfs/dbraw/zinc/28/71/29/721287129.db2.gz HPFDVOIPFLGYAO-UHFFFAOYSA-N 1 1 461.969 2.943 20 0 JFADMO CCOc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nn2)cc1 ZINC001164879712 721288201 /nfs/dbraw/zinc/28/82/01/721288201.db2.gz ZZQFVGAKLIUHQT-UHFFFAOYSA-N 1 1 453.587 2.549 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cncc(OCc4cccc(Cl)c4)n3)CC2)C1 ZINC001164879173 721291151 /nfs/dbraw/zinc/29/11/51/721291151.db2.gz WERRYWDBZPXMCB-UHFFFAOYSA-N 1 1 474.005 2.716 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(Cl)(Cl)Oc3ccc(Cl)nc3)CC2)C1 ZINC001164876632 721292297 /nfs/dbraw/zinc/29/22/97/721292297.db2.gz KMTSZQDBKPAJGT-UHFFFAOYSA-N 1 1 465.809 2.705 20 0 JFADMO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC001164879097 721292530 /nfs/dbraw/zinc/29/25/30/721292530.db2.gz UUPAMUNINHQEIM-UHFFFAOYSA-N 1 1 490.004 2.938 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1CN1CC[C@@H](CO)C1 ZINC001164770406 721293766 /nfs/dbraw/zinc/29/37/66/721293766.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 1 1 455.647 2.803 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1CN1CC[C@@H](CO)C1 ZINC001164770406 721293771 /nfs/dbraw/zinc/29/37/71/721293771.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 1 1 455.647 2.803 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4CN(C(=O)c5ccsc5)CCO[C@H]4C3)c2)CC1 ZINC001164874853 721299690 /nfs/dbraw/zinc/29/96/90/721299690.db2.gz DHZADHIASQKTRZ-GCJKJVERSA-N 1 1 456.612 2.984 20 0 JFADMO CCN1CC[C@]2(CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C[C@@H]2C)C1=O ZINC001164776078 721319974 /nfs/dbraw/zinc/31/99/74/721319974.db2.gz BZAJQCOGVNTCDR-GNBJCERTSA-N 1 1 471.646 2.575 20 0 JFADMO O=C(COC[C@@]12COC[C@@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCCC1 ZINC001164875381 721334332 /nfs/dbraw/zinc/33/43/32/721334332.db2.gz KRNUWQNZBSRKQO-RBJSKKJNSA-N 1 1 476.621 2.732 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4COC[C@@]4(COCC(=O)N4CCCC4)C3)c2c1C ZINC001164889869 721337387 /nfs/dbraw/zinc/33/73/87/721337387.db2.gz ZEGQXRACCQQSJI-FQRUVTKNSA-N 1 1 499.681 2.996 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164776803 721345265 /nfs/dbraw/zinc/34/52/65/721345265.db2.gz CXAYHAKWKKRUAZ-JOCHJYFZSA-N 1 1 463.966 2.569 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164776803 721345266 /nfs/dbraw/zinc/34/52/66/721345266.db2.gz CXAYHAKWKKRUAZ-JOCHJYFZSA-N 1 1 463.966 2.569 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164783055 721355616 /nfs/dbraw/zinc/35/56/16/721355616.db2.gz PBBJMVIAUCWBJR-DEOSSOPVSA-N 1 1 466.542 2.535 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(=O)(=O)N3CCCC3)C2)C1 ZINC001164785255 721358930 /nfs/dbraw/zinc/35/89/30/721358930.db2.gz STLYHGDQJUXQSY-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(=O)(=O)N3CCCC3)C2)C1 ZINC001164785255 721358935 /nfs/dbraw/zinc/35/89/35/721358935.db2.gz STLYHGDQJUXQSY-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782975 721359319 /nfs/dbraw/zinc/35/93/19/721359319.db2.gz OMXCLCHLBNMWAU-AREMUKBSSA-N 1 1 498.628 2.590 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)n2)CC1 ZINC001164782975 721359324 /nfs/dbraw/zinc/35/93/24/721359324.db2.gz OMXCLCHLBNMWAU-AREMUKBSSA-N 1 1 498.628 2.590 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164786023 721366185 /nfs/dbraw/zinc/36/61/85/721366185.db2.gz UMQCWYLMCWHAOV-DEOSSOPVSA-N 1 1 491.658 2.836 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164786023 721366187 /nfs/dbraw/zinc/36/61/87/721366187.db2.gz UMQCWYLMCWHAOV-DEOSSOPVSA-N 1 1 491.658 2.836 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786950 721376874 /nfs/dbraw/zinc/37/68/74/721376874.db2.gz VOLOIMJTIFJZJL-FNZWTVRRSA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786950 721376879 /nfs/dbraw/zinc/37/68/79/721376879.db2.gz VOLOIMJTIFJZJL-FNZWTVRRSA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164887868 721381133 /nfs/dbraw/zinc/38/11/33/721381133.db2.gz ISXILLDCJHBWCF-KOSHJBKYSA-N 1 1 473.643 2.942 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164891866 721384208 /nfs/dbraw/zinc/38/42/08/721384208.db2.gz QZWLTPJLLLJYMH-HRAATJIYSA-N 1 1 487.979 2.617 20 0 JFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164884307 721385039 /nfs/dbraw/zinc/38/50/39/721385039.db2.gz AADQZBFBUCMRNG-WZONZLPQSA-N 1 1 451.011 2.986 20 0 JFADMO CC[C@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164781755 721410208 /nfs/dbraw/zinc/41/02/08/721410208.db2.gz DTLAVBIELVAMCV-FCEWJHQRSA-N 1 1 453.616 2.981 20 0 JFADMO CC[C@H]1C(=O)Nc2cnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164781755 721410210 /nfs/dbraw/zinc/41/02/10/721410210.db2.gz DTLAVBIELVAMCV-FCEWJHQRSA-N 1 1 453.616 2.981 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164892428 721412179 /nfs/dbraw/zinc/41/21/79/721412179.db2.gz YDSKEUHFFZSEOB-NBGIEHNGSA-N 1 1 453.587 2.572 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2cc1OC ZINC001164887130 721412634 /nfs/dbraw/zinc/41/26/34/721412634.db2.gz LBQIIASIWTYONG-KBMIEXCESA-N 1 1 455.603 2.721 20 0 JFADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883522 721418360 /nfs/dbraw/zinc/41/83/60/721418360.db2.gz AMGLGZVGIQSSLM-YKSBVNFPSA-N 1 1 464.054 2.982 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164784744 721419370 /nfs/dbraw/zinc/41/93/70/721419370.db2.gz LFMMYGOWKJOMKU-IYBDPMFKSA-N 1 1 453.524 2.505 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OC(C)=O ZINC001164784744 721419373 /nfs/dbraw/zinc/41/93/73/721419373.db2.gz LFMMYGOWKJOMKU-IYBDPMFKSA-N 1 1 453.524 2.505 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)O2)CC1 ZINC001164891940 721421063 /nfs/dbraw/zinc/42/10/63/721421063.db2.gz WTNCGVADMKWAOD-HRAATJIYSA-N 1 1 466.964 2.989 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164791112 721421837 /nfs/dbraw/zinc/42/18/37/721421837.db2.gz ZNWHQUTWFJFIAL-HZPDHXFCSA-N 1 1 457.581 2.697 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)ncn2)CC1 ZINC001164787996 721429328 /nfs/dbraw/zinc/42/93/28/721429328.db2.gz RQQFDDGPURZUPL-RTBURBONSA-N 1 1 465.602 2.967 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCCC4)C3)O2)CC1 ZINC001164897953 721431549 /nfs/dbraw/zinc/43/15/49/721431549.db2.gz VFZUDHAVSYCDCY-LVXARBLLSA-N 1 1 450.631 2.995 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001164890256 721434126 /nfs/dbraw/zinc/43/41/26/721434126.db2.gz CUTSNJCSYUCKBO-ATIYNZHBSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C3)O2)CC1 ZINC001164892356 721435904 /nfs/dbraw/zinc/43/59/04/721435904.db2.gz IGCBHQJTFXXQOR-HFZDXXHNSA-N 1 1 465.598 2.680 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1 ZINC001164888672 721441299 /nfs/dbraw/zinc/44/12/99/721441299.db2.gz ACQNERVXEANQBS-QFQXNSOFSA-N 1 1 467.614 2.926 20 0 JFADMO Cc1nc(COC[C@@H]2CCC[C@@]23CN(c2ccnc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164781387 721445652 /nfs/dbraw/zinc/44/56/52/721445652.db2.gz FREZSIBCILJHJL-WMZHIEFXSA-N 1 1 458.632 2.586 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164789324 721461368 /nfs/dbraw/zinc/46/13/68/721461368.db2.gz WXUHZTXDTLTNNZ-INIZCTEOSA-N 1 1 466.985 2.851 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164787178 721469040 /nfs/dbraw/zinc/46/90/40/721469040.db2.gz CZWBDSZWIZODTR-JOCHJYFZSA-N 1 1 492.686 2.600 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164787180 721469581 /nfs/dbraw/zinc/46/95/81/721469581.db2.gz CZWBDSZWIZODTR-QFIPXVFZSA-N 1 1 492.686 2.600 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164790649 721471295 /nfs/dbraw/zinc/47/12/95/721471295.db2.gz TWHULWAPYMXSGP-LJQANCHMSA-N 1 1 464.054 2.852 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164789447 721473843 /nfs/dbraw/zinc/47/38/43/721473843.db2.gz MTLGLFZADCCFQS-SFHVURJKSA-N 1 1 466.026 2.614 20 0 JFADMO CCOC[C@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)Cc2cnn(C)c21 ZINC001164793906 721477059 /nfs/dbraw/zinc/47/70/59/721477059.db2.gz ZPHUYZIPUMSZSO-UYAOXDASSA-N 1 1 484.645 2.754 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899509 721495586 /nfs/dbraw/zinc/49/55/86/721495586.db2.gz KUFGAJJMHFHRFQ-CNNODRBYSA-N 1 1 480.642 2.777 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796767 721498143 /nfs/dbraw/zinc/49/81/43/721498143.db2.gz XAFJDIIGWMIYOU-UHFFFAOYSA-N 1 1 480.613 2.766 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164906599 721551248 /nfs/dbraw/zinc/55/12/48/721551248.db2.gz KFAHIRZPLDXBDD-GOEBONIOSA-N 1 1 459.909 2.889 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc-2n1 ZINC001164798943 721551808 /nfs/dbraw/zinc/55/18/08/721551808.db2.gz AEVJMNLLZMBTJB-RZUBCFFCSA-N 1 1 451.527 2.621 20 0 JFADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCCC1 ZINC001164904223 721560040 /nfs/dbraw/zinc/56/00/40/721560040.db2.gz DKXXBXLFFVYDHR-TZIWHRDSSA-N 1 1 460.575 2.737 20 0 JFADMO CN(C)C(=O)[C@@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CC2 ZINC001164903563 721570083 /nfs/dbraw/zinc/57/00/83/721570083.db2.gz CPHZXGJNOKKXLG-ICSRJNTNSA-N 1 1 471.646 2.575 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C1=O ZINC001164902940 721575220 /nfs/dbraw/zinc/57/52/20/721575220.db2.gz NPXHBAQOVIJHIA-ZHALLVOQSA-N 1 1 469.655 2.953 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805033 721577724 /nfs/dbraw/zinc/57/77/24/721577724.db2.gz KCNBRYAHWXAOCY-ZDXQCDESSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805033 721577725 /nfs/dbraw/zinc/57/77/25/721577725.db2.gz KCNBRYAHWXAOCY-ZDXQCDESSA-N 1 1 471.627 2.519 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)C1 ZINC001164801831 721579605 /nfs/dbraw/zinc/57/96/05/721579605.db2.gz FWYNZOLHJPVAPN-KXEAFHOWSA-N 1 1 480.613 2.519 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164805029 721581094 /nfs/dbraw/zinc/58/10/94/721581094.db2.gz KBSPASBLQBNKHB-STCFVSJZSA-N 1 1 473.643 2.812 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1 ZINC001164805029 721581098 /nfs/dbraw/zinc/58/10/98/721581098.db2.gz KBSPASBLQBNKHB-STCFVSJZSA-N 1 1 473.643 2.812 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)c2c1C ZINC001164796082 721596146 /nfs/dbraw/zinc/59/61/46/721596146.db2.gz BOMHNGVOMXYJTQ-SLFFLAALSA-N 1 1 485.654 2.889 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnccn3)[C@H]3COC[C@@H]32)n1 ZINC001164802058 721598786 /nfs/dbraw/zinc/59/87/86/721598786.db2.gz QNNUAEXBHPFGJO-NEWSRXKRSA-N 1 1 481.626 2.574 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908948 721713553 /nfs/dbraw/zinc/71/35/53/721713553.db2.gz ZUORQZXTDOEQHY-QHCPKHFHSA-N 1 1 455.509 2.863 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917621 721781324 /nfs/dbraw/zinc/78/13/24/721781324.db2.gz YKOBWZOLHKCWEI-RUZDIDTESA-N 1 1 497.983 2.963 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917621 721781327 /nfs/dbraw/zinc/78/13/27/721781327.db2.gz YKOBWZOLHKCWEI-RUZDIDTESA-N 1 1 497.983 2.963 20 0 JFADMO COc1cc2c(cc1Cl)ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914911 721783571 /nfs/dbraw/zinc/78/35/71/721783571.db2.gz HPBOETSQHPLYHF-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cc2c(cc1Cl)ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914911 721783579 /nfs/dbraw/zinc/78/35/79/721783579.db2.gz HPBOETSQHPLYHF-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916669 721790328 /nfs/dbraw/zinc/79/03/28/721790328.db2.gz RZPXZIVHUIGLHQ-MHZLTWQESA-N 1 1 490.608 2.518 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916669 721790330 /nfs/dbraw/zinc/79/03/30/721790330.db2.gz RZPXZIVHUIGLHQ-MHZLTWQESA-N 1 1 490.608 2.518 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026436 721817003 /nfs/dbraw/zinc/81/70/03/721817003.db2.gz QGIWMAVCEMJPHE-ACIOBRDBSA-N 1 1 464.614 2.998 20 0 JFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922589 721875341 /nfs/dbraw/zinc/87/53/41/721875341.db2.gz HASRBUGUYNRYDK-RBUKOAKNSA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922589 721875343 /nfs/dbraw/zinc/87/53/43/721875343.db2.gz HASRBUGUYNRYDK-RBUKOAKNSA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929168 721879048 /nfs/dbraw/zinc/87/90/48/721879048.db2.gz AGZYJLUXUWOSGE-PMACEKPBSA-N 1 1 470.687 2.617 20 0 JFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929168 721879049 /nfs/dbraw/zinc/87/90/49/721879049.db2.gz AGZYJLUXUWOSGE-PMACEKPBSA-N 1 1 470.687 2.617 20 0 JFADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21)NC1CCC1 ZINC001164934656 721895847 /nfs/dbraw/zinc/89/58/47/721895847.db2.gz RSCHYULAZSXNNE-KJWPAHLWSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21)NC1CCC1 ZINC001164934656 721895848 /nfs/dbraw/zinc/89/58/48/721895848.db2.gz RSCHYULAZSXNNE-KJWPAHLWSA-N 1 1 461.610 2.935 20 0 JFADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1ncn3Cc1ccccc1F)CC2 ZINC001164947447 721975928 /nfs/dbraw/zinc/97/59/28/721975928.db2.gz OXYVILANJNMXEE-UHFFFAOYSA-N 1 1 485.567 2.985 20 0 JFADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1ncn3Cc1ccccc1F)CC2 ZINC001164947447 721975930 /nfs/dbraw/zinc/97/59/30/721975930.db2.gz OXYVILANJNMXEE-UHFFFAOYSA-N 1 1 485.567 2.985 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2s1 ZINC001164945140 721976235 /nfs/dbraw/zinc/97/62/35/721976235.db2.gz DQRCQAKAGKBEMT-UHFFFAOYSA-N 1 1 465.579 2.839 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2s1 ZINC001164945140 721976237 /nfs/dbraw/zinc/97/62/37/721976237.db2.gz DQRCQAKAGKBEMT-UHFFFAOYSA-N 1 1 465.579 2.839 20 0 JFADMO COC(=O)c1cc2c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)[nH]c(Cl)cc-2n1 ZINC001164947723 721976768 /nfs/dbraw/zinc/97/67/68/721976768.db2.gz RLPLPEMJTSMYEW-UHFFFAOYSA-N 1 1 467.957 2.974 20 0 JFADMO COC(=O)c1cc2c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)[nH]c(Cl)cc-2n1 ZINC001164947723 721976770 /nfs/dbraw/zinc/97/67/70/721976770.db2.gz RLPLPEMJTSMYEW-UHFFFAOYSA-N 1 1 467.957 2.974 20 0 JFADMO CCOC(=O)c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C(=O)OCC ZINC001164951805 722015399 /nfs/dbraw/zinc/01/53/99/722015399.db2.gz FFNYDUNCOAQHHJ-UHFFFAOYSA-N 1 1 453.543 2.718 20 0 JFADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)C1 ZINC001164961697 722060084 /nfs/dbraw/zinc/06/00/84/722060084.db2.gz OHGROZKYGLIAFN-QHCPKHFHSA-N 1 1 494.640 2.770 20 0 JFADMO Clc1cc(O[C@H]2CCOC2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164966446 722062365 /nfs/dbraw/zinc/06/23/65/722062365.db2.gz TVRAJFKUPBOVII-IBGZPJMESA-N 1 1 459.978 2.812 20 0 JFADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966353 722062474 /nfs/dbraw/zinc/06/24/74/722062474.db2.gz RLAPEXBSEDCDCO-QGZVFWFLSA-N 1 1 459.978 2.921 20 0 JFADMO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164982375 722092672 /nfs/dbraw/zinc/09/26/72/722092672.db2.gz QAFNJXHZCMRILJ-OYRHQHFDSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2=O)cn1 ZINC001164982444 722095504 /nfs/dbraw/zinc/09/55/04/722095504.db2.gz RDYXQBMHTSAGSD-VQIMIIECSA-N 1 1 477.638 2.999 20 0 JFADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2=O)cn1 ZINC001164973613 722095648 /nfs/dbraw/zinc/09/56/48/722095648.db2.gz BELJHLONLCODSA-QFBILLFUSA-N 1 1 477.638 2.999 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977282 722101725 /nfs/dbraw/zinc/10/17/25/722101725.db2.gz FRRQOTDMBAQOOP-FUHWJXTLSA-N 1 1 481.931 2.974 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983939 722105364 /nfs/dbraw/zinc/10/53/64/722105364.db2.gz RHJUFUFWUZLVCE-IAGOWNOFSA-N 1 1 452.937 2.863 20 0 JFADMO c1ccc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982510 722115130 /nfs/dbraw/zinc/11/51/30/722115130.db2.gz WUFFTLFVMBLEJR-ZJSXRUAMSA-N 1 1 460.582 2.589 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164983303 722131080 /nfs/dbraw/zinc/13/10/80/722131080.db2.gz TVIVGUDKPLIMTG-HKUYNNGSSA-N 1 1 453.568 2.990 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164972560 722137670 /nfs/dbraw/zinc/13/76/70/722137670.db2.gz ACCONUIYEWHKGI-VQIMIIECSA-N 1 1 470.961 2.531 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)CC2)cc1 ZINC001164984231 722142414 /nfs/dbraw/zinc/14/24/14/722142414.db2.gz WPCCQCGWGLCOCU-AHWVRZQESA-N 1 1 485.636 2.926 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)CC2)cc1 ZINC001164984233 722142443 /nfs/dbraw/zinc/14/24/43/722142443.db2.gz WPCCQCGWGLCOCU-AZGAKELHSA-N 1 1 485.636 2.926 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977076 722143947 /nfs/dbraw/zinc/14/39/47/722143947.db2.gz IMASQOBNICPPHI-RRPUWOKSSA-N 1 1 473.643 2.671 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976077 722144210 /nfs/dbraw/zinc/14/42/10/722144210.db2.gz GZEWJAAICWPOKU-IRLDBZIGSA-N 1 1 473.643 2.671 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164977077 722144216 /nfs/dbraw/zinc/14/42/16/722144216.db2.gz IMASQOBNICPPHI-WPYKKVEZSA-N 1 1 473.643 2.671 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976080 722144242 /nfs/dbraw/zinc/14/42/42/722144242.db2.gz GZEWJAAICWPOKU-UNMCSNQZSA-N 1 1 473.643 2.671 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972191 722155978 /nfs/dbraw/zinc/15/59/78/722155978.db2.gz GOHNBMQDOLLDPU-CABCVRRESA-N 1 1 452.342 2.692 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973174 722159044 /nfs/dbraw/zinc/15/90/44/722159044.db2.gz LRJHFYDLCRUHRF-MSOLQXFVSA-N 1 1 479.412 2.742 20 0 JFADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164995887 722194909 /nfs/dbraw/zinc/19/49/09/722194909.db2.gz YYKLQKJJWMXHOA-SANMLTNESA-N 1 1 482.604 2.534 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc(Cl)c4ccccc4n2)CC3)CC1 ZINC001164997107 722229400 /nfs/dbraw/zinc/22/94/00/722229400.db2.gz PQQBUDUJNFZADC-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)NCc4ccccc4)cc(Cl)n2)CC3)CC1 ZINC001164996030 722230734 /nfs/dbraw/zinc/23/07/34/722230734.db2.gz AVZVNEYFSSCVLP-UHFFFAOYSA-N 1 1 492.027 2.812 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(=O)N4CCCCC4)cc(Cl)n2)CC3)CC1 ZINC001164997725 722230756 /nfs/dbraw/zinc/23/07/56/722230756.db2.gz UMWKDPJBWAULIO-UHFFFAOYSA-N 1 1 470.021 2.508 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ncc2OCc2ccccc2)CC3)CC1 ZINC001164997635 722234055 /nfs/dbraw/zinc/23/40/55/722234055.db2.gz SONBHQTZWXREAL-UHFFFAOYSA-N 1 1 465.989 2.856 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ccn4Cc2ccccc2)CC3)CC1 ZINC001164996394 722234588 /nfs/dbraw/zinc/23/45/88/722234588.db2.gz FTDMTFKFFDSUAA-UHFFFAOYSA-N 1 1 454.582 2.627 20 0 JFADMO COC(=O)c1ccc(-c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2C)cc1 ZINC001165001591 722236795 /nfs/dbraw/zinc/23/67/95/722236795.db2.gz JWMNGSORIKTRKT-UHFFFAOYSA-N 1 1 472.593 2.991 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc4ccccc4nc2N2CCCCC2)CC3)CC1 ZINC001165001554 722237182 /nfs/dbraw/zinc/23/71/82/722237182.db2.gz IUMHXYGGRKEPCP-UHFFFAOYSA-N 1 1 458.614 2.767 20 0 JFADMO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002373 722243164 /nfs/dbraw/zinc/24/31/64/722243164.db2.gz CGIQWYHCKWXGFN-BVAGGSTKSA-N 1 1 471.605 2.956 20 0 JFADMO CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)[nH+]cc21 ZINC001165008263 722267486 /nfs/dbraw/zinc/26/74/86/722267486.db2.gz WHPHKFNSTJPDMG-XMMPIXPASA-N 1 1 451.502 2.806 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CC1 ZINC001264017656 1059505967 /nfs/dbraw/zinc/50/59/67/1059505967.db2.gz OIBFCTKITMTSMX-UHFFFAOYSA-N 1 1 453.562 2.522 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1 ZINC001264707772 1059653264 /nfs/dbraw/zinc/65/32/64/1059653264.db2.gz FGIZNJUWWRLNAJ-UHFFFAOYSA-N 1 1 452.486 2.670 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2ccc(-c3csnn3)cc2)c1 ZINC001264708023 1059653287 /nfs/dbraw/zinc/65/32/87/1059653287.db2.gz JJHAAEJOBOQIHU-UHFFFAOYSA-N 1 1 451.552 2.796 20 0 JFADMO COc1cc(OC)cc(N2C[C@H](C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2=O)c1 ZINC001264756065 1059664792 /nfs/dbraw/zinc/66/47/92/1059664792.db2.gz OSVVTEFBTJPIAG-LJQANCHMSA-N 1 1 453.539 2.570 20 0 JFADMO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC001264834208 1059700637 /nfs/dbraw/zinc/70/06/37/1059700637.db2.gz UHGXZZQUZYURBK-NRFANRHFSA-N 1 1 458.559 2.548 20 0 JFADMO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC001264872368 1059711978 /nfs/dbraw/zinc/71/19/78/1059711978.db2.gz JNZGVUPFQVYHEA-CQSZACIVSA-N 1 1 454.017 2.973 20 0 JFADMO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC001264872368 1059711996 /nfs/dbraw/zinc/71/19/96/1059711996.db2.gz JNZGVUPFQVYHEA-CQSZACIVSA-N 1 1 454.017 2.973 20 0 JFADMO COc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc1I ZINC001264874336 1059712864 /nfs/dbraw/zinc/71/28/64/1059712864.db2.gz UPFUNJQZYJZYBL-CYBMUJFWSA-N 1 1 451.308 2.871 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)C1 ZINC001264894821 1059720388 /nfs/dbraw/zinc/72/03/88/1059720388.db2.gz YUISVFGOEHHAFD-OAHLLOKOSA-N 1 1 451.495 2.633 20 0 JFADMO CN(C)[C@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC001264953370 1059737459 /nfs/dbraw/zinc/73/74/59/1059737459.db2.gz CFXDRAGMSJLPOB-QHCPKHFHSA-N 1 1 458.006 2.792 20 0 JFADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001265053751 1059757953 /nfs/dbraw/zinc/75/79/53/1059757953.db2.gz FVWGZHXEOGNGLS-FCHUYYIVSA-N 1 1 459.616 2.656 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(OC4CCOCC4)cc3)c2)C1 ZINC001265063754 1059759520 /nfs/dbraw/zinc/75/95/20/1059759520.db2.gz PANSVOWUDXDSFL-JOCHJYFZSA-N 1 1 451.567 2.872 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(OC4CCOCC4)cc3)c2)C1 ZINC001265063755 1059759630 /nfs/dbraw/zinc/75/96/30/1059759630.db2.gz PANSVOWUDXDSFL-QFIPXVFZSA-N 1 1 451.567 2.872 20 0 JFADMO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC001265127134 1059774245 /nfs/dbraw/zinc/77/42/45/1059774245.db2.gz VLIBXRBLIASZPJ-GOSISDBHSA-N 1 1 454.658 2.973 20 0 JFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@@H](C)C1 ZINC001265127363 1059774673 /nfs/dbraw/zinc/77/46/73/1059774673.db2.gz ALTDLQIXKISFPN-PWSZPPJVSA-N 1 1 453.624 2.513 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001265248220 1059807599 /nfs/dbraw/zinc/80/75/99/1059807599.db2.gz VZENJNBIXVXUME-OAQYLSRUSA-N 1 1 450.518 2.884 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC001265661430 1059906561 /nfs/dbraw/zinc/90/65/61/1059906561.db2.gz RCBWUEYQFJCWDQ-BSIFCXSSSA-N 1 1 474.403 2.644 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCCOc3ccc4c(c3)OCO4)cc2)CC1 ZINC001265681545 1059909992 /nfs/dbraw/zinc/90/99/92/1059909992.db2.gz UCMOPLFGLHLYPE-UHFFFAOYSA-N 1 1 453.539 2.920 20 0 JFADMO C[C@@H](CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC001265747342 1059920526 /nfs/dbraw/zinc/92/05/26/1059920526.db2.gz HRZACTRGRDCTFX-KRWDZBQOSA-N 1 1 451.614 2.743 20 0 JFADMO CC(C)[C@H]1CN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC001279366046 1059982817 /nfs/dbraw/zinc/98/28/17/1059982817.db2.gz ZJHJHFCRHHJFES-OAQYLSRUSA-N 1 1 456.591 2.785 20 0 JFADMO CC(C)[C@@H]1CN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC001279366045 1059983187 /nfs/dbraw/zinc/98/31/87/1059983187.db2.gz ZJHJHFCRHHJFES-NRFANRHFSA-N 1 1 456.591 2.785 20 0 JFADMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192485 1060001162 /nfs/dbraw/zinc/00/11/62/1060001162.db2.gz BABVGJBPKDDZFA-DLBZAZTESA-N 1 1 454.017 2.945 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286842066 1061111845 /nfs/dbraw/zinc/11/18/45/1061111845.db2.gz LZAIDBYINNBAOQ-LJQANCHMSA-N 1 1 456.639 2.780 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286842857 1061118446 /nfs/dbraw/zinc/11/84/46/1061118446.db2.gz DOVTXRXLEVIPSM-QFIPXVFZSA-N 1 1 474.675 2.734 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286842888 1061119347 /nfs/dbraw/zinc/11/93/47/1061119347.db2.gz ZLJILYJCWMRHAU-HXUWFJFHSA-N 1 1 486.636 2.956 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286844159 1061129117 /nfs/dbraw/zinc/12/91/17/1061129117.db2.gz LXYGALBYEPZKSA-UHFFFAOYSA-N 1 1 484.645 2.723 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286844159 1061129122 /nfs/dbraw/zinc/12/91/22/1061129122.db2.gz LXYGALBYEPZKSA-UHFFFAOYSA-N 1 1 484.645 2.723 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cccc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286849375 1061171523 /nfs/dbraw/zinc/17/15/23/1061171523.db2.gz MQZDIXZUOWYVTP-AOHZBQACSA-N 1 1 498.672 2.969 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286850660 1061179463 /nfs/dbraw/zinc/17/94/63/1061179463.db2.gz PQZTZFODFIJQSZ-XZOQPEGZSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001286854634 1061204527 /nfs/dbraw/zinc/20/45/27/1061204527.db2.gz OILMENPNWVXTSX-UNMCSNQZSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC001289582910 1061227732 /nfs/dbraw/zinc/22/77/32/1061227732.db2.gz DMLOTHGSZNCWIP-OAQYLSRUSA-N 1 1 485.677 2.861 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289582910 1061227757 /nfs/dbraw/zinc/22/77/57/1061227757.db2.gz DMLOTHGSZNCWIP-OAQYLSRUSA-N 1 1 485.677 2.861 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289582910 1061227782 /nfs/dbraw/zinc/22/77/82/1061227782.db2.gz DMLOTHGSZNCWIP-OAQYLSRUSA-N 1 1 485.677 2.861 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001289599777 1061243758 /nfs/dbraw/zinc/24/37/58/1061243758.db2.gz FWCNXVCCSWWRJM-UXHICEINSA-N 1 1 471.650 2.614 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)o1 ZINC001289601099 1061245966 /nfs/dbraw/zinc/24/59/66/1061245966.db2.gz SYRDCDKMTLSFHB-HXUWFJFHSA-N 1 1 471.650 2.758 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001286868469 1061257413 /nfs/dbraw/zinc/25/74/13/1061257413.db2.gz AISQVDFVZKWLGA-YKSBVNFPSA-N 1 1 454.619 2.661 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286868516 1061257672 /nfs/dbraw/zinc/25/76/72/1061257672.db2.gz BFEWUJWDKFXDLM-YKSBVNFPSA-N 1 1 454.619 2.743 20 0 JFADMO CC(=O)N1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286868595 1061257739 /nfs/dbraw/zinc/25/77/39/1061257739.db2.gz NYLSLTHHXCKBRA-UHFFFAOYSA-N 1 1 472.659 2.660 20 0 JFADMO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001286868761 1061258918 /nfs/dbraw/zinc/25/89/18/1061258918.db2.gz NSKNZVHZOXWFDZ-UHFFFAOYSA-N 1 1 482.677 2.533 20 0 JFADMO CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286869778 1061263810 /nfs/dbraw/zinc/26/38/10/1061263810.db2.gz ZIOQQVVMYSWYCP-DNVJHFABSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@@H]2C)CC1 ZINC001286870249 1061264504 /nfs/dbraw/zinc/26/45/04/1061264504.db2.gz IIXXTLLSSLMFLA-UGKGYDQZSA-N 1 1 454.623 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001286870288 1061264761 /nfs/dbraw/zinc/26/47/61/1061264761.db2.gz INKOBRQZTYOKER-ZJSXRUAMSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3OCCC3(C)C)C[C@@H]2C)CC1 ZINC001286870838 1061268593 /nfs/dbraw/zinc/26/85/93/1061268593.db2.gz KUISYPHOQBLCNF-NNWRFLSQSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001286871100 1061269329 /nfs/dbraw/zinc/26/93/29/1061269329.db2.gz LSJHOUULSFXBSW-ILWGZMRPSA-N 1 1 478.707 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286871161 1061270241 /nfs/dbraw/zinc/27/02/41/1061270241.db2.gz MJMVVDHDEYFCQN-URXFXBBRSA-N 1 1 498.676 2.567 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286871162 1061270601 /nfs/dbraw/zinc/27/06/01/1061270601.db2.gz MJMVVDHDEYFCQN-XUZZJYLKSA-N 1 1 498.676 2.567 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286871163 1061270664 /nfs/dbraw/zinc/27/06/64/1061270664.db2.gz MJMVVDHDEYFCQN-ZJSXRUAMSA-N 1 1 498.676 2.567 20 0 JFADMO Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC001289651693 1061275655 /nfs/dbraw/zinc/27/56/55/1061275655.db2.gz QVFLAOFLOALUBA-GOSISDBHSA-N 1 1 460.648 2.908 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@@H]2C)CC1 ZINC001286872200 1061277092 /nfs/dbraw/zinc/27/70/92/1061277092.db2.gz TXBPHQFIAZWGPN-XUZZJYLKSA-N 1 1 490.693 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286872179 1061277396 /nfs/dbraw/zinc/27/73/96/1061277396.db2.gz SVIDOTXBKIMTNZ-ZJSXRUAMSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@@H]2C)CC1 ZINC001286872538 1061278969 /nfs/dbraw/zinc/27/89/69/1061278969.db2.gz WAAGZZPEMODFQN-PZJWPPBQSA-N 1 1 460.667 2.771 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCOC3)C[C@@H]2C)CC1 ZINC001286872806 1061281846 /nfs/dbraw/zinc/28/18/46/1061281846.db2.gz YJPMGICZMGHKCR-KSEOMHKRSA-N 1 1 460.667 2.672 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286872907 1061282376 /nfs/dbraw/zinc/28/23/76/1061282376.db2.gz VXUWMOYLAGMIPY-UFYCRDLUSA-N 1 1 488.608 2.583 20 0 JFADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001289662300 1061282724 /nfs/dbraw/zinc/28/27/24/1061282724.db2.gz LNXWWSJFPRXYSM-NFBKMPQASA-N 1 1 497.669 2.598 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001286872968 1061283310 /nfs/dbraw/zinc/28/33/10/1061283310.db2.gz ZLBVUXLEZNYKJX-DENIHFKCSA-N 1 1 471.675 2.861 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001286874635 1061290105 /nfs/dbraw/zinc/29/01/05/1061290105.db2.gz AHTPODJCUOGHPX-VQTJNVASSA-N 1 1 464.618 2.646 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001286878567 1061298504 /nfs/dbraw/zinc/29/85/04/1061298504.db2.gz YSOSVOZPSZOILC-CEXWTWQISA-N 1 1 454.623 2.549 20 0 JFADMO CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001286878948 1061299321 /nfs/dbraw/zinc/29/93/21/1061299321.db2.gz ABLAXYCPSSCAKZ-UHFFFAOYSA-N 1 1 493.697 2.772 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286881826 1061308040 /nfs/dbraw/zinc/30/80/40/1061308040.db2.gz COGKDHAGWGVDKE-LJQANCHMSA-N 1 1 491.036 2.680 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286883372 1061314000 /nfs/dbraw/zinc/31/40/00/1061314000.db2.gz NHYQXJWUDFPIQH-JOCHJYFZSA-N 1 1 484.645 2.643 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286883389 1061314033 /nfs/dbraw/zinc/31/40/33/1061314033.db2.gz NOXOBEGALDGZSQ-UHFFFAOYSA-N 1 1 451.575 2.819 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1C ZINC001289715125 1061323216 /nfs/dbraw/zinc/32/32/16/1061323216.db2.gz UCZAFGYOJMQHPK-XMMPIXPASA-N 1 1 497.688 2.717 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289720515 1061326666 /nfs/dbraw/zinc/32/66/66/1061326666.db2.gz DHIVDHHUQGLGHM-RBUKOAKNSA-N 1 1 490.674 2.889 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001286886279 1061328310 /nfs/dbraw/zinc/32/83/10/1061328310.db2.gz BWIAJCCKCKVRDU-BAGYTPMASA-N 1 1 460.667 2.815 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccc(F)c(F)c3)C[C@H]2C)CC1 ZINC001286886674 1061330303 /nfs/dbraw/zinc/33/03/03/1061330303.db2.gz HKUTYDFRSDYHQH-JPYJTQIMSA-N 1 1 474.600 2.986 20 0 JFADMO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886974 1061332037 /nfs/dbraw/zinc/33/20/37/1061332037.db2.gz LIEWYTHLPYXJSJ-DHLKQENFSA-N 1 1 481.689 2.912 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001286886853 1061332190 /nfs/dbraw/zinc/33/21/90/1061332190.db2.gz JPKWFPKGIJCWFQ-YKSBVNFPSA-N 1 1 483.661 2.843 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)C[C@@H]2C)CC1 ZINC001286887233 1061335093 /nfs/dbraw/zinc/33/50/93/1061335093.db2.gz POQAXBLGMAAEQC-RDPSFJRHSA-N 1 1 481.689 2.970 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CCCSCC(C)C)C[C@@H]2C)CC1 ZINC001286887706 1061337900 /nfs/dbraw/zinc/33/79/00/1061337900.db2.gz SZPXODKSUCYYIS-SIKLNZKXSA-N 1 1 486.690 2.503 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCSCC(C)C)C[C@H]2C)CC1 ZINC001286887705 1061338006 /nfs/dbraw/zinc/33/80/06/1061338006.db2.gz SZPXODKSUCYYIS-KNQAVFIVSA-N 1 1 486.690 2.503 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001286887778 1061338215 /nfs/dbraw/zinc/33/82/15/1061338215.db2.gz UQLRVISYVVFSJT-VQIMIIECSA-N 1 1 467.540 2.615 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCO[C@H](C)C3)C[C@H]2C)CC1 ZINC001286887781 1061338437 /nfs/dbraw/zinc/33/84/37/1061338437.db2.gz USXSMZLGUXAFOL-UGESXGAOSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286888301 1061340204 /nfs/dbraw/zinc/34/02/04/1061340204.db2.gz LZJREHVFDOEFCC-IBGZPJMESA-N 1 1 458.582 2.929 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286888302 1061340377 /nfs/dbraw/zinc/34/03/77/1061340377.db2.gz LZJREHVFDOEFCC-LJQANCHMSA-N 1 1 458.582 2.929 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3C[C@@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286888612 1061342267 /nfs/dbraw/zinc/34/22/67/1061342267.db2.gz ZQVPHQWLTCUHLS-SWHJIRTISA-N 1 1 460.667 2.722 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001286888784 1061343563 /nfs/dbraw/zinc/34/35/63/1061343563.db2.gz FUPGVVDPCGZGKB-IBGZPJMESA-N 1 1 461.010 2.625 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001289733333 1061343749 /nfs/dbraw/zinc/34/37/49/1061343749.db2.gz RRMCDZPIOJKHTH-RUZDIDTESA-N 1 1 478.601 2.834 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001286889318 1061347520 /nfs/dbraw/zinc/34/75/20/1061347520.db2.gz JMEQMXMCICNQOB-UHFFFAOYSA-N 1 1 475.037 2.752 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289737414 1061349549 /nfs/dbraw/zinc/34/95/49/1061349549.db2.gz FCJBDIRYUYWTTK-YLJYHZDGSA-N 1 1 467.618 2.581 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001286889843 1061351990 /nfs/dbraw/zinc/35/19/90/1061351990.db2.gz NCQQRKZAQUJWAE-JKSUJKDBSA-N 1 1 478.439 2.825 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001286889846 1061352125 /nfs/dbraw/zinc/35/21/25/1061352125.db2.gz NFOADBZCSHNCTH-KRWDZBQOSA-N 1 1 461.010 2.766 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289740131 1061353653 /nfs/dbraw/zinc/35/36/53/1061353653.db2.gz LGJLFKUTYGRPSO-SFHVURJKSA-N 1 1 481.645 2.936 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(Cc2ccc(F)cc2)C(C)C)CC1 ZINC001286890663 1061355925 /nfs/dbraw/zinc/35/59/25/1061355925.db2.gz BPVYNWLSZHIDGG-UHFFFAOYSA-N 1 1 453.566 2.991 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc4cccnc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001286891232 1061358662 /nfs/dbraw/zinc/35/86/62/1061358662.db2.gz GQJLUBJJJABOMV-UHFFFAOYSA-N 1 1 461.492 2.656 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[NH+]2CCSCC2)cc1C ZINC001289743133 1061359565 /nfs/dbraw/zinc/35/95/65/1061359565.db2.gz JEZXIPKXPMEHKN-SFHVURJKSA-N 1 1 498.575 2.964 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001286891442 1061360333 /nfs/dbraw/zinc/36/03/33/1061360333.db2.gz XQRRKLKHYRRMOM-GJZGRUSLSA-N 1 1 496.479 2.530 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289743996 1061361492 /nfs/dbraw/zinc/36/14/92/1061361492.db2.gz UQRKGUFJDRMLST-UHFFFAOYSA-N 1 1 463.577 2.875 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccn3C)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001286892575 1061365047 /nfs/dbraw/zinc/36/50/47/1061365047.db2.gz XJTUTCUSXRZAOH-SFHVURJKSA-N 1 1 453.566 2.784 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748044 1061367622 /nfs/dbraw/zinc/36/76/22/1061367622.db2.gz WNCKLUBJIMUQCI-YZZKKUAISA-N 1 1 458.632 2.544 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001289748375 1061369241 /nfs/dbraw/zinc/36/92/41/1061369241.db2.gz QIVQICOTELEZIZ-PMACEKPBSA-N 1 1 482.633 2.518 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289750679 1061372265 /nfs/dbraw/zinc/37/22/65/1061372265.db2.gz JUOZYAKBWBVUDB-LJQANCHMSA-N 1 1 476.585 2.793 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286900767 1061392787 /nfs/dbraw/zinc/39/27/87/1061392787.db2.gz LBVJTVAIGJBQTN-ADCVTAOUSA-N 1 1 456.639 2.683 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CCn2cc[nH+]c2C)CC1 ZINC001286902858 1061399528 /nfs/dbraw/zinc/39/95/28/1061399528.db2.gz DNVNXWITDVJAHM-UHFFFAOYSA-N 1 1 465.602 2.988 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289782976 1061406655 /nfs/dbraw/zinc/40/66/55/1061406655.db2.gz PRRMNNATTDWTEJ-QHCPKHFHSA-N 1 1 467.618 2.892 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286905625 1061420485 /nfs/dbraw/zinc/42/04/85/1061420485.db2.gz UUHJAEPOQPVDCP-NRFANRHFSA-N 1 1 490.052 2.697 20 0 JFADMO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792120 1061423445 /nfs/dbraw/zinc/42/34/45/1061423445.db2.gz KLWSHTCVUVGSHP-ROUUACIJSA-N 1 1 462.545 2.528 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001286906565 1061427736 /nfs/dbraw/zinc/42/77/36/1061427736.db2.gz DWQDHLWLENVBBX-PXDATVDWSA-N 1 1 476.666 2.546 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001289799363 1061433658 /nfs/dbraw/zinc/43/36/58/1061433658.db2.gz JBXMGMKVOKNNTK-HSZRJFAPSA-N 1 1 497.644 2.662 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286908081 1061440689 /nfs/dbraw/zinc/44/06/89/1061440689.db2.gz XQMNUDAUGURFLR-YJBOKZPZSA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286908081 1061440693 /nfs/dbraw/zinc/44/06/93/1061440693.db2.gz XQMNUDAUGURFLR-YJBOKZPZSA-N 1 1 464.973 2.563 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001289805474 1061442769 /nfs/dbraw/zinc/44/27/69/1061442769.db2.gz MKHMTFMZGMORIS-IBGZPJMESA-N 1 1 490.674 2.508 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289810591 1061455524 /nfs/dbraw/zinc/45/55/24/1061455524.db2.gz VJDJBEHNESZJIL-SFTDATJTSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289810591 1061455536 /nfs/dbraw/zinc/45/55/36/1061455536.db2.gz VJDJBEHNESZJIL-SFTDATJTSA-N 1 1 475.659 2.909 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001289812248 1061461842 /nfs/dbraw/zinc/46/18/42/1061461842.db2.gz OGUKGFJXGRLWLX-XMMPIXPASA-N 1 1 475.659 2.911 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911656 1061464052 /nfs/dbraw/zinc/46/40/52/1061464052.db2.gz HWVQQLKJDJHDGE-BJKOFHAPSA-N 1 1 468.646 2.525 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286913742 1061477247 /nfs/dbraw/zinc/47/72/47/1061477247.db2.gz YCZBLNPUWNVVEX-RTWAWAEBSA-N 1 1 487.649 2.717 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001289819105 1061477944 /nfs/dbraw/zinc/47/79/44/1061477944.db2.gz PDLXOBRCAMYBRU-NRFANRHFSA-N 1 1 475.659 2.829 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001286914326 1061482033 /nfs/dbraw/zinc/48/20/33/1061482033.db2.gz IPATZOLCHHLANB-HXUWFJFHSA-N 1 1 450.591 2.909 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286919025 1061507482 /nfs/dbraw/zinc/50/74/82/1061507482.db2.gz KULUDHMTWKIHSL-IBGZPJMESA-N 1 1 472.609 2.614 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286922069 1061520338 /nfs/dbraw/zinc/52/03/38/1061520338.db2.gz PZJCOIKKGPXKIB-YADHBBJMSA-N 1 1 496.660 2.646 20 0 JFADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@H]2C1 ZINC001289852185 1061524390 /nfs/dbraw/zinc/52/43/90/1061524390.db2.gz XMNHEYZXYACMHL-WCFLWFBJSA-N 1 1 453.362 2.750 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC001289862496 1061544623 /nfs/dbraw/zinc/54/46/23/1061544623.db2.gz HPOORPNYZZBUTC-GOSISDBHSA-N 1 1 489.671 2.638 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286934720 1061570934 /nfs/dbraw/zinc/57/09/34/1061570934.db2.gz LCKFCIMMJKPFQT-UHFFFAOYSA-N 1 1 490.599 2.610 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286934720 1061570956 /nfs/dbraw/zinc/57/09/56/1061570956.db2.gz LCKFCIMMJKPFQT-UHFFFAOYSA-N 1 1 490.599 2.610 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001286935367 1061574348 /nfs/dbraw/zinc/57/43/48/1061574348.db2.gz QHZGCMKJDFVTNQ-UHFFFAOYSA-N 1 1 499.679 2.634 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294097186 1061575921 /nfs/dbraw/zinc/57/59/21/1061575921.db2.gz YHOILGXHYSUFMV-REWPJTCUSA-N 1 1 463.648 2.673 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 ZINC001289890953 1061576511 /nfs/dbraw/zinc/57/65/11/1061576511.db2.gz YFVPBVXOARBSCP-UHFFFAOYSA-N 1 1 492.672 2.888 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CCO1 ZINC001286936155 1061577200 /nfs/dbraw/zinc/57/72/00/1061577200.db2.gz BLBBVFWUVNXLCG-SIKLNZKXSA-N 1 1 481.601 2.581 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(C)(C)C)no2)CC[N@H+]1CCOC ZINC001294098227 1061578085 /nfs/dbraw/zinc/57/80/85/1061578085.db2.gz UOJPSRINOUTLPI-LJQANCHMSA-N 1 1 487.649 2.671 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001286940340 1061582747 /nfs/dbraw/zinc/58/27/47/1061582747.db2.gz BREUZKOCVDMOSD-KSSFIOAISA-N 1 1 464.973 2.562 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001294103388 1061583496 /nfs/dbraw/zinc/58/34/96/1061583496.db2.gz JMVOPQHUGCTGCL-IPMKNSEASA-N 1 1 455.694 2.915 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286940608 1061584177 /nfs/dbraw/zinc/58/41/77/1061584177.db2.gz FIDLZXFBOCZBGH-LAUBAEHRSA-N 1 1 461.010 2.672 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001286943258 1061599892 /nfs/dbraw/zinc/59/98/92/1061599892.db2.gz ZOKZXHVZQCEGMS-HSZRJFAPSA-N 1 1 466.630 2.846 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001286944481 1061613812 /nfs/dbraw/zinc/61/38/12/1061613812.db2.gz AQWOKNIKBPWQAX-XXBNENTESA-N 1 1 488.608 2.602 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001289923155 1061615310 /nfs/dbraw/zinc/61/53/10/1061615310.db2.gz KHIFCOWBLJMQJU-GOSISDBHSA-N 1 1 473.025 2.909 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001289928646 1061618610 /nfs/dbraw/zinc/61/86/10/1061618610.db2.gz JHMHTXGLYDASOV-DEOSSOPVSA-N 1 1 454.550 2.760 20 0 JFADMO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001294137342 1061621972 /nfs/dbraw/zinc/62/19/72/1061621972.db2.gz LYQHQDSKDSIXLC-RBBKRZOGSA-N 1 1 490.674 2.512 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001289931311 1061622444 /nfs/dbraw/zinc/62/24/44/1061622444.db2.gz HNEWBRUJGURYAM-GOSISDBHSA-N 1 1 462.645 2.884 20 0 JFADMO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001294138487 1061623839 /nfs/dbraw/zinc/62/38/39/1061623839.db2.gz RYPPYBUZOBMBLQ-LEWJYISDSA-N 1 1 492.665 2.935 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCOCc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001289932098 1061624428 /nfs/dbraw/zinc/62/44/28/1061624428.db2.gz PRQJPRYHQNMKSS-RUZDIDTESA-N 1 1 450.587 2.758 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(=O)Nc2ccc(F)cc2)n1 ZINC001289932558 1061625892 /nfs/dbraw/zinc/62/58/92/1061625892.db2.gz VKGKHELIBMIGIZ-UHFFFAOYSA-N 1 1 481.576 2.973 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(=O)Nc2ccc(F)cc2)n1 ZINC001289932558 1061625903 /nfs/dbraw/zinc/62/59/03/1061625903.db2.gz VKGKHELIBMIGIZ-UHFFFAOYSA-N 1 1 481.576 2.973 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286945951 1061628906 /nfs/dbraw/zinc/62/89/06/1061628906.db2.gz NTHVUOUCNOLQNX-YKSBVNFPSA-N 1 1 468.646 2.873 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286945949 1061629045 /nfs/dbraw/zinc/62/90/45/1061629045.db2.gz NTHVUOUCNOLQNX-RDPSFJRHSA-N 1 1 468.646 2.873 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001294141002 1061629279 /nfs/dbraw/zinc/62/92/79/1061629279.db2.gz YXWHPAMEBFJDFL-FDDCHVKYSA-N 1 1 457.596 2.584 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)n1 ZINC001289950693 1061644939 /nfs/dbraw/zinc/64/49/39/1061644939.db2.gz JARCQSFBBRPLJJ-UHFFFAOYSA-N 1 1 460.648 2.782 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCO1 ZINC001286948064 1061650724 /nfs/dbraw/zinc/65/07/24/1061650724.db2.gz OREFDKRNXWUKCB-UFYCRDLUSA-N 1 1 492.665 2.882 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCO1 ZINC001286948064 1061650739 /nfs/dbraw/zinc/65/07/39/1061650739.db2.gz OREFDKRNXWUKCB-UFYCRDLUSA-N 1 1 492.665 2.882 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948488 1061659639 /nfs/dbraw/zinc/65/96/39/1061659639.db2.gz XWOWULGVDUIKCC-HSZRJFAPSA-N 1 1 484.645 2.629 20 0 JFADMO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001289972291 1061681034 /nfs/dbraw/zinc/68/10/34/1061681034.db2.gz JSEIBXNRROLQSF-QUCCMNQESA-N 1 1 460.648 2.784 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001289980825 1061702483 /nfs/dbraw/zinc/70/24/83/1061702483.db2.gz JVYSFMJCLYHJNJ-GOSISDBHSA-N 1 1 481.567 2.832 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001289980825 1061702505 /nfs/dbraw/zinc/70/25/05/1061702505.db2.gz JVYSFMJCLYHJNJ-GOSISDBHSA-N 1 1 481.567 2.832 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC001294201220 1061707073 /nfs/dbraw/zinc/70/70/73/1061707073.db2.gz IBFBNHZVFKSTMY-CBQOVEMMSA-N 1 1 455.603 2.966 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985613 1061711123 /nfs/dbraw/zinc/71/11/23/1061711123.db2.gz NULFJDGDOCVRRJ-PZJWPPBQSA-N 1 1 485.633 2.719 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985613 1061711146 /nfs/dbraw/zinc/71/11/46/1061711146.db2.gz NULFJDGDOCVRRJ-PZJWPPBQSA-N 1 1 485.633 2.719 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001294209027 1061712036 /nfs/dbraw/zinc/71/20/36/1061712036.db2.gz MQGIIRIBCUHCQZ-BHDDXSALSA-N 1 1 481.707 2.944 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294209648 1061712464 /nfs/dbraw/zinc/71/24/64/1061712464.db2.gz XRZNJVMLBGMCHZ-JGCGQSQUSA-N 1 1 459.664 2.985 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001294210550 1061714890 /nfs/dbraw/zinc/71/48/90/1061714890.db2.gz LWVGQMIHNNYISX-CJFMBICVSA-N 1 1 460.667 2.900 20 0 JFADMO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001289990810 1061715547 /nfs/dbraw/zinc/71/55/47/1061715547.db2.gz UYZDNYNEDRSKTC-UHFFFAOYSA-N 1 1 459.388 2.873 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001294211109 1061715670 /nfs/dbraw/zinc/71/56/70/1061715670.db2.gz RAMKCJYXKWDJIN-UHFFFAOYSA-N 1 1 465.643 2.642 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)CC1 ZINC001294211077 1061715922 /nfs/dbraw/zinc/71/59/22/1061715922.db2.gz QHTDHBCBWSNFJB-UHFFFAOYSA-N 1 1 466.634 2.553 20 0 JFADMO Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289992663 1061718017 /nfs/dbraw/zinc/71/80/17/1061718017.db2.gz RCSMSAVTCPCXRR-HXUWFJFHSA-N 1 1 468.627 2.794 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294216887 1061725593 /nfs/dbraw/zinc/72/55/93/1061725593.db2.gz KAMDTMBEDMJYTA-UHFFFAOYSA-N 1 1 474.631 2.895 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294218872 1061729534 /nfs/dbraw/zinc/72/95/34/1061729534.db2.gz GBOOAPPPKOEVAO-GOSISDBHSA-N 1 1 460.627 2.762 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001294219981 1061730916 /nfs/dbraw/zinc/73/09/16/1061730916.db2.gz KISXFQTZSQHGNS-UHFFFAOYSA-N 1 1 470.597 2.885 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294224587 1061735089 /nfs/dbraw/zinc/73/50/89/1061735089.db2.gz VFADCEJYHXOUBO-JOCHJYFZSA-N 1 1 482.677 2.513 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294225551 1061736625 /nfs/dbraw/zinc/73/66/25/1061736625.db2.gz FHCSGNCVSQVXRR-YADHBBJMSA-N 1 1 459.660 2.981 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001294225717 1061737177 /nfs/dbraw/zinc/73/71/77/1061737177.db2.gz GTDUORCNFJKLSL-OALUTQOASA-N 1 1 466.627 2.544 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294226160 1061738661 /nfs/dbraw/zinc/73/86/61/1061738661.db2.gz PHXCGXACNOQUSY-LJQANCHMSA-N 1 1 467.680 2.840 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001294227153 1061741682 /nfs/dbraw/zinc/74/16/82/1061741682.db2.gz BUHVKHMDJATAHS-UHFFFAOYSA-N 1 1 474.675 2.934 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294227787 1061742394 /nfs/dbraw/zinc/74/23/94/1061742394.db2.gz GYJYEGIKQISPEJ-UHFFFAOYSA-N 1 1 466.634 2.696 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001294228346 1061743194 /nfs/dbraw/zinc/74/31/94/1061743194.db2.gz OTNCMCXIVHGZFE-UHFFFAOYSA-N 1 1 482.658 2.723 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294228582 1061744080 /nfs/dbraw/zinc/74/40/80/1061744080.db2.gz QDAIEOSYOXQXTB-VWLOTQADSA-N 1 1 485.608 2.554 20 0 JFADMO Cc1cccc(CCn2c([C@@H]3CCCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001290022959 1061744414 /nfs/dbraw/zinc/74/44/14/1061744414.db2.gz RCSKSHVMQRBHIJ-OAQYLSRUSA-N 1 1 456.635 2.913 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294230098 1061747216 /nfs/dbraw/zinc/74/72/16/1061747216.db2.gz VLTDPWGXMNRONU-SQGPQFPESA-N 1 1 463.545 2.818 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001294230677 1061748125 /nfs/dbraw/zinc/74/81/25/1061748125.db2.gz ZRXRUYDWWBAGSG-AWRGLXIESA-N 1 1 459.639 2.644 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294231784 1061748733 /nfs/dbraw/zinc/74/87/33/1061748733.db2.gz GFGIMVSMJDYRHG-QGZVFWFLSA-N 1 1 462.624 2.568 20 0 JFADMO Cc1cccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001290034028 1061750332 /nfs/dbraw/zinc/75/03/32/1061750332.db2.gz ONWRLITXYANHTQ-UHFFFAOYSA-N 1 1 467.662 2.875 20 0 JFADMO Cc1cccc(CN2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001290034028 1061750352 /nfs/dbraw/zinc/75/03/52/1061750352.db2.gz ONWRLITXYANHTQ-UHFFFAOYSA-N 1 1 467.662 2.875 20 0 JFADMO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001294240912 1061751772 /nfs/dbraw/zinc/75/17/72/1061751772.db2.gz ZAYUZIYKUQQDIC-UHFFFAOYSA-N 1 1 490.722 2.891 20 0 JFADMO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001294240912 1061751799 /nfs/dbraw/zinc/75/17/99/1061751799.db2.gz ZAYUZIYKUQQDIC-UHFFFAOYSA-N 1 1 490.722 2.891 20 0 JFADMO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001294240912 1061751820 /nfs/dbraw/zinc/75/18/20/1061751820.db2.gz ZAYUZIYKUQQDIC-UHFFFAOYSA-N 1 1 490.722 2.891 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001290037036 1061752443 /nfs/dbraw/zinc/75/24/43/1061752443.db2.gz ASQALIRUFFOFID-MNAQKMTRSA-N 1 1 459.660 2.960 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(C)c2C)CC1 ZINC001290037318 1061753967 /nfs/dbraw/zinc/75/39/67/1061753967.db2.gz KHVUKUBNPVPDIZ-UHFFFAOYSA-N 1 1 450.591 2.565 20 0 JFADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054899 1061774706 /nfs/dbraw/zinc/77/47/06/1061774706.db2.gz LZCBYNZQSNVDHN-CTNGQTDRSA-N 1 1 496.578 2.817 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001290060458 1061781387 /nfs/dbraw/zinc/78/13/87/1061781387.db2.gz VRKRVFQUORNBML-VQTJNVASSA-N 1 1 454.619 2.988 20 0 JFADMO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294297058 1061784873 /nfs/dbraw/zinc/78/48/73/1061784873.db2.gz QISLSZKJADAOCY-VQTJNVASSA-N 1 1 489.665 2.893 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290064504 1061788781 /nfs/dbraw/zinc/78/87/81/1061788781.db2.gz SWXAXFLZZXEDOH-AREMUKBSSA-N 1 1 497.644 2.710 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001290069386 1061793661 /nfs/dbraw/zinc/79/36/61/1061793661.db2.gz HQZQSTJLWVWAQE-QFIPXVFZSA-N 1 1 475.659 2.911 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294306524 1061794194 /nfs/dbraw/zinc/79/41/94/1061794194.db2.gz BFTWAZVUHXTVQA-RTBURBONSA-N 1 1 470.618 2.929 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001294308582 1061797436 /nfs/dbraw/zinc/79/74/36/1061797436.db2.gz SCVLSGAPCJBXRP-TZIWHRDSSA-N 1 1 473.666 2.566 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294308782 1061797758 /nfs/dbraw/zinc/79/77/58/1061797758.db2.gz VAAOUBVHZSSUSV-ROUUACIJSA-N 1 1 472.556 2.936 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294309170 1061798461 /nfs/dbraw/zinc/79/84/61/1061798461.db2.gz ZXXMNDOADQDIEV-QUCCMNQESA-N 1 1 461.655 2.518 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001290071610 1061798593 /nfs/dbraw/zinc/79/85/93/1061798593.db2.gz QABNEQGBRZUFIP-JOCHJYFZSA-N 1 1 498.672 2.707 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294309938 1061799891 /nfs/dbraw/zinc/79/98/91/1061799891.db2.gz CZRSTJZAMGYUFN-IEBWSBKVSA-N 1 1 496.582 2.838 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001294310168 1061800720 /nfs/dbraw/zinc/80/07/20/1061800720.db2.gz FJQDPNVXXYXYAT-NJDAHSKKSA-N 1 1 462.639 2.514 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294310198 1061801006 /nfs/dbraw/zinc/80/10/06/1061801006.db2.gz FXDBXQBWDPVABV-QHCPKHFHSA-N 1 1 495.672 2.773 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001294310167 1061801109 /nfs/dbraw/zinc/80/11/09/1061801109.db2.gz FJQDPNVXXYXYAT-HKBOAZHASA-N 1 1 462.639 2.514 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294311504 1061802563 /nfs/dbraw/zinc/80/25/63/1061802563.db2.gz MWDPYIALYKIHRU-RZUBCFFCSA-N 1 1 470.618 2.663 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294312342 1061803716 /nfs/dbraw/zinc/80/37/16/1061803716.db2.gz YXXRYRKLNWLWFF-NRFANRHFSA-N 1 1 489.690 2.855 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001294313355 1061805433 /nfs/dbraw/zinc/80/54/33/1061805433.db2.gz BYFILZYHEFWUPT-HBMCJLEFSA-N 1 1 482.695 2.502 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294315146 1061806056 /nfs/dbraw/zinc/80/60/56/1061806056.db2.gz AEPXSIWMUMSZQO-SLFFLAALSA-N 1 1 453.653 2.798 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313761 1061806296 /nfs/dbraw/zinc/80/62/96/1061806296.db2.gz DVEYFNLHPRDODU-VXKWHMMOSA-N 1 1 474.675 2.932 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294315166 1061806816 /nfs/dbraw/zinc/80/68/16/1061806816.db2.gz ANTIIJCEODBBAN-LEWJYISDSA-N 1 1 482.695 2.644 20 0 JFADMO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccnn2CC[NH+](C)C)ccc1C ZINC001290079028 1061809604 /nfs/dbraw/zinc/80/96/04/1061809604.db2.gz KMGSLACPPPXCKI-UHFFFAOYSA-N 1 1 457.556 2.815 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294316072 1061810063 /nfs/dbraw/zinc/81/00/63/1061810063.db2.gz DIQQVZNGAYEDPY-QUCCMNQESA-N 1 1 458.582 2.962 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316392 1061810474 /nfs/dbraw/zinc/81/04/74/1061810474.db2.gz OFQSARHIKXHGAI-QFIPXVFZSA-N 1 1 459.660 2.953 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316539 1061810789 /nfs/dbraw/zinc/81/07/89/1061810789.db2.gz HFHNEODVKCGAPM-PXDATVDWSA-N 1 1 476.666 2.547 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1 ZINC001286980328 1061812180 /nfs/dbraw/zinc/81/21/80/1061812180.db2.gz MZKCOKCJFVTXNE-HZPDHXFCSA-N 1 1 453.012 2.513 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1 ZINC001286980328 1061812195 /nfs/dbraw/zinc/81/21/95/1061812195.db2.gz MZKCOKCJFVTXNE-HZPDHXFCSA-N 1 1 453.012 2.513 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317210 1061812155 /nfs/dbraw/zinc/81/21/55/1061812155.db2.gz KDVKXPLLFMJKNP-MOPGFXCFSA-N 1 1 471.654 2.762 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294317757 1061814947 /nfs/dbraw/zinc/81/49/47/1061814947.db2.gz YNSKHCYPSPRNGY-QFIPXVFZSA-N 1 1 468.650 2.770 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286982504 1061827559 /nfs/dbraw/zinc/82/75/59/1061827559.db2.gz TWXCRPUEKSCCQG-ROUUACIJSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286982504 1061827577 /nfs/dbraw/zinc/82/75/77/1061827577.db2.gz TWXCRPUEKSCCQG-ROUUACIJSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1)S(C)(=O)=O ZINC001286982506 1061827625 /nfs/dbraw/zinc/82/76/25/1061827625.db2.gz TWXCRPUEKSCCQG-ZWKOTPCHSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1)S(C)(=O)=O ZINC001286982506 1061827650 /nfs/dbraw/zinc/82/76/50/1061827650.db2.gz TWXCRPUEKSCCQG-ZWKOTPCHSA-N 1 1 474.606 2.869 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1CCS(=O)(=O)CC1 ZINC001290103513 1061832276 /nfs/dbraw/zinc/83/22/76/1061832276.db2.gz MAYBNSZPVUVKON-UHFFFAOYSA-N 1 1 489.686 2.873 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001294326220 1061837181 /nfs/dbraw/zinc/83/71/81/1061837181.db2.gz PWBIPSFQRAMRCP-QHAWAJNXSA-N 1 1 468.650 2.988 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286984250 1061842817 /nfs/dbraw/zinc/84/28/17/1061842817.db2.gz XPTRWPTYELQAGZ-YDZRNGNQSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286984250 1061842836 /nfs/dbraw/zinc/84/28/36/1061842836.db2.gz XPTRWPTYELQAGZ-YDZRNGNQSA-N 1 1 455.669 2.898 20 0 JFADMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)c1 ZINC001290115026 1061843865 /nfs/dbraw/zinc/84/38/65/1061843865.db2.gz HGHYYSNFHNXSFE-ZEQKJWHPSA-N 1 1 451.567 2.801 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290123473 1061853507 /nfs/dbraw/zinc/85/35/07/1061853507.db2.gz JANGMMKOLOYCBE-NRFANRHFSA-N 1 1 454.619 2.669 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290123473 1061853524 /nfs/dbraw/zinc/85/35/24/1061853524.db2.gz JANGMMKOLOYCBE-NRFANRHFSA-N 1 1 454.619 2.669 20 0 JFADMO Cc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290140398 1061873075 /nfs/dbraw/zinc/87/30/75/1061873075.db2.gz GXLDKWGDQYZFFD-CBQOVEMMSA-N 1 1 490.674 2.507 20 0 JFADMO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001290141524 1061876428 /nfs/dbraw/zinc/87/64/28/1061876428.db2.gz YYFCIGSDYRCEHA-TZIWHRDSSA-N 1 1 454.619 2.687 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001286988604 1061878067 /nfs/dbraw/zinc/87/80/67/1061878067.db2.gz GURZUYLJASMTGJ-UHFFFAOYSA-N 1 1 454.619 2.680 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001286988604 1061878082 /nfs/dbraw/zinc/87/80/82/1061878082.db2.gz GURZUYLJASMTGJ-UHFFFAOYSA-N 1 1 454.619 2.680 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290144597 1061879969 /nfs/dbraw/zinc/87/99/69/1061879969.db2.gz BYNVVKPHMRCSBZ-AQNXPRMDSA-N 1 1 456.635 2.765 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCn2cc[nH+]c2C)C1 ZINC001294339251 1061883507 /nfs/dbraw/zinc/88/35/07/1061883507.db2.gz ZURATBMNGMLSBA-KNQAVFIVSA-N 1 1 481.649 2.866 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001286990682 1061886828 /nfs/dbraw/zinc/88/68/28/1061886828.db2.gz QJUIDJNNGDZOEO-JOCHJYFZSA-N 1 1 489.686 2.714 20 0 JFADMO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(OC)c1OC ZINC001294346426 1061902028 /nfs/dbraw/zinc/90/20/28/1061902028.db2.gz DWMJXAGFOGXWCO-GOSISDBHSA-N 1 1 459.587 2.651 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294346810 1061903115 /nfs/dbraw/zinc/90/31/15/1061903115.db2.gz ANJZLAMHCPWENI-QFIPXVFZSA-N 1 1 483.661 2.507 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294346810 1061903134 /nfs/dbraw/zinc/90/31/34/1061903134.db2.gz ANJZLAMHCPWENI-QFIPXVFZSA-N 1 1 483.661 2.507 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287004212 1061921936 /nfs/dbraw/zinc/92/19/36/1061921936.db2.gz GAGRCIFUSMDUDO-FGZHOGPDSA-N 1 1 489.686 2.594 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287004840 1061923447 /nfs/dbraw/zinc/92/34/47/1061923447.db2.gz CDTHQELNLHDQOK-FQEVSTJZSA-N 1 1 474.675 2.836 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(c3nccs3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287006687 1061927871 /nfs/dbraw/zinc/92/78/71/1061927871.db2.gz YGNOTGSNBAAGAV-LJQANCHMSA-N 1 1 461.680 2.986 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001290184057 1061929309 /nfs/dbraw/zinc/92/93/09/1061929309.db2.gz WPWHDPXAHVBFBP-FQEVSTJZSA-N 1 1 459.660 2.924 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCC[NH+]1CCOCC1 ZINC001287007560 1061931671 /nfs/dbraw/zinc/93/16/71/1061931671.db2.gz GKLYNABNZLLXGI-UHFFFAOYSA-N 1 1 470.618 2.757 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCn1cc(Cl)cn1 ZINC001287008615 1061935294 /nfs/dbraw/zinc/93/52/94/1061935294.db2.gz ATKBUQWWRPPIHC-FQEVSTJZSA-N 1 1 488.036 2.688 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CSCCS1 ZINC001287009461 1061937945 /nfs/dbraw/zinc/93/79/45/1061937945.db2.gz UHOPGTIFJGGLGU-PZJWPPBQSA-N 1 1 491.727 2.986 20 0 JFADMO CC(C)(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287010256 1061940797 /nfs/dbraw/zinc/94/07/97/1061940797.db2.gz JBTSZXZMEKMDKH-UHFFFAOYSA-N 1 1 455.529 2.922 20 0 JFADMO CC(C)(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001287010256 1061940818 /nfs/dbraw/zinc/94/08/18/1061940818.db2.gz JBTSZXZMEKMDKH-UHFFFAOYSA-N 1 1 455.529 2.922 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001290199675 1061941303 /nfs/dbraw/zinc/94/13/03/1061941303.db2.gz LVXUMPICDKBSIZ-LEWJYISDSA-N 1 1 484.645 2.882 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001290204723 1061948247 /nfs/dbraw/zinc/94/82/47/1061948247.db2.gz NNGHMNFQJCLDFP-FCHUYYIVSA-N 1 1 468.646 2.995 20 0 JFADMO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375745 1061949753 /nfs/dbraw/zinc/94/97/53/1061949753.db2.gz BPYHCBNXBFLWEP-WMZHIEFXSA-N 1 1 469.634 2.588 20 0 JFADMO CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC001294398589 1061968285 /nfs/dbraw/zinc/96/82/85/1061968285.db2.gz UDPCBDNSKMWJTK-SFHVURJKSA-N 1 1 453.530 2.709 20 0 JFADMO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290228566 1061975551 /nfs/dbraw/zinc/97/55/51/1061975551.db2.gz CIXPYDWCCDKJMT-OYRHEFFESA-N 1 1 499.660 2.667 20 0 JFADMO CCCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001294409256 1061975834 /nfs/dbraw/zinc/97/58/34/1061975834.db2.gz QLDQWVJLSBYJMK-IBGZPJMESA-N 1 1 455.669 2.555 20 0 JFADMO Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290228883 1061976287 /nfs/dbraw/zinc/97/62/87/1061976287.db2.gz GKYMTMFRZGLTGG-KDURUIRLSA-N 1 1 483.642 2.567 20 0 JFADMO Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290228883 1061976306 /nfs/dbraw/zinc/97/63/06/1061976306.db2.gz GKYMTMFRZGLTGG-KDURUIRLSA-N 1 1 483.642 2.567 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001287028585 1061976558 /nfs/dbraw/zinc/97/65/58/1061976558.db2.gz JBEZKKOZDBNNNM-QFIPXVFZSA-N 1 1 489.686 2.761 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287032611 1061987999 /nfs/dbraw/zinc/98/79/99/1061987999.db2.gz RPPGTDIIHZULPK-QHCPKHFHSA-N 1 1 482.673 2.605 20 0 JFADMO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+]1CCCO ZINC001294434840 1061988998 /nfs/dbraw/zinc/98/89/98/1061988998.db2.gz MRGMVXIRXBWYLQ-LJQANCHMSA-N 1 1 467.618 2.929 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287034146 1061994760 /nfs/dbraw/zinc/99/47/60/1061994760.db2.gz GZBAUAXJGYGBQJ-UHFFFAOYSA-N 1 1 478.579 3.000 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCC(C)(C)O ZINC001287034495 1061996691 /nfs/dbraw/zinc/99/66/91/1061996691.db2.gz OSQGGBWBDFOBME-FQEVSTJZSA-N 1 1 459.635 2.590 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287034641 1061998226 /nfs/dbraw/zinc/99/82/26/1061998226.db2.gz QSYTZTKYBSBIDJ-FQEVSTJZSA-N 1 1 492.665 2.610 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 ZINC001294453715 1061998421 /nfs/dbraw/zinc/99/84/21/1061998421.db2.gz DZPXLIGKMUADCE-INIZCTEOSA-N 1 1 469.619 2.556 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C2)c1 ZINC001290270581 1061999632 /nfs/dbraw/zinc/99/96/32/1061999632.db2.gz BFRHOROIPMWMCB-HXUWFJFHSA-N 1 1 456.639 2.885 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)C1 ZINC001294455533 1062002696 /nfs/dbraw/zinc/00/26/96/1062002696.db2.gz FPHYGFHTKRSSPU-GOSISDBHSA-N 1 1 494.731 2.993 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455524 1062002835 /nfs/dbraw/zinc/00/28/35/1062002835.db2.gz FIMDUAFPKLCIHF-CPJSRVTESA-N 1 1 488.681 2.882 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001287036953 1062003774 /nfs/dbraw/zinc/00/37/74/1062003774.db2.gz ZRENIIKLUABTDS-HXUWFJFHSA-N 1 1 466.696 2.745 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001287037434 1062004223 /nfs/dbraw/zinc/00/42/23/1062004223.db2.gz OUMLKDNOCYWRIX-SFHVURJKSA-N 1 1 458.573 2.662 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001287037434 1062004249 /nfs/dbraw/zinc/00/42/49/1062004249.db2.gz OUMLKDNOCYWRIX-SFHVURJKSA-N 1 1 458.573 2.662 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459623 1062006510 /nfs/dbraw/zinc/00/65/10/1062006510.db2.gz VEKDZZJMYPAXAN-MSOLQXFVSA-N 1 1 456.570 2.902 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294460031 1062007621 /nfs/dbraw/zinc/00/76/21/1062007621.db2.gz AKWGKRHWBJKYKU-OALUTQOASA-N 1 1 491.658 2.565 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 ZINC001294460311 1062007859 /nfs/dbraw/zinc/00/78/59/1062007859.db2.gz CFJRMRVMSNOZAR-OAHLLOKOSA-N 1 1 489.473 2.969 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 ZINC001294460738 1062009298 /nfs/dbraw/zinc/00/92/98/1062009298.db2.gz JPKUJKCZDSNBDT-ICSRJNTNSA-N 1 1 459.591 2.546 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001287041593 1062009762 /nfs/dbraw/zinc/00/97/62/1062009762.db2.gz NJSHLDNYYJJSCO-MBSDFSHPSA-N 1 1 495.715 2.708 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 ZINC001294461178 1062009914 /nfs/dbraw/zinc/00/99/14/1062009914.db2.gz SZKKWXWQDNVHJQ-KRWDZBQOSA-N 1 1 456.591 2.614 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001287041594 1062010210 /nfs/dbraw/zinc/01/02/10/1062010210.db2.gz NJSHLDNYYJJSCO-WZONZLPQSA-N 1 1 495.715 2.708 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294461273 1062010730 /nfs/dbraw/zinc/01/07/30/1062010730.db2.gz VXECKCANFGCLPV-SFHVURJKSA-N 1 1 481.066 2.986 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001287042100 1062011251 /nfs/dbraw/zinc/01/12/51/1062011251.db2.gz ZKWAMRSLDKEGOB-IPMKNSEASA-N 1 1 455.644 2.877 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001294461913 1062011623 /nfs/dbraw/zinc/01/16/23/1062011623.db2.gz FLWMZEKWVBHDQC-SFHVURJKSA-N 1 1 472.638 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294461934 1062011800 /nfs/dbraw/zinc/01/18/00/1062011800.db2.gz FWAFPNGNGYCCFY-NRFANRHFSA-N 1 1 455.651 2.927 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H](c3ccccc3)N3CCSCC3)c2)CC1 ZINC001294462695 1062012255 /nfs/dbraw/zinc/01/22/55/1062012255.db2.gz JMKYJBTZDOJPAZ-DEOSSOPVSA-N 1 1 452.624 2.732 20 0 JFADMO Cc1nc(CN2CCC(C(=O)Nc3cccc(CC(=O)N4CC[NH+](C)CC4)c3)CC2)cs1 ZINC001294462748 1062012332 /nfs/dbraw/zinc/01/23/32/1062012332.db2.gz KCDKDHXTLHPEHR-UHFFFAOYSA-N 1 1 455.628 2.619 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 ZINC001294462893 1062013024 /nfs/dbraw/zinc/01/30/24/1062013024.db2.gz NHVWJLHTVHTLGJ-HXUWFJFHSA-N 1 1 454.623 2.696 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)C1 ZINC001294465144 1062014818 /nfs/dbraw/zinc/01/48/18/1062014818.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 1 1 455.651 2.927 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001294467216 1062015734 /nfs/dbraw/zinc/01/57/34/1062015734.db2.gz FFUNKNVSSIPRPL-ILWGZMRPSA-N 1 1 475.659 2.736 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)C1 ZINC001294467358 1062016065 /nfs/dbraw/zinc/01/60/65/1062016065.db2.gz FPKYKGNNZUVXIF-WMQCIHAUSA-N 1 1 458.582 2.924 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467348 1062016142 /nfs/dbraw/zinc/01/61/42/1062016142.db2.gz FMSYTYDXXPRYTN-ROUUACIJSA-N 1 1 477.654 2.701 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001294469189 1062021229 /nfs/dbraw/zinc/02/12/29/1062021229.db2.gz VPCUEJJSBXTASC-BZSNNMDCSA-N 1 1 459.607 2.784 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001294469412 1062021698 /nfs/dbraw/zinc/02/16/98/1062021698.db2.gz YSSAAYYLSWZIIF-ZYLNGJIFSA-N 1 1 494.681 2.916 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(=O)NC)C1 ZINC001294469386 1062022045 /nfs/dbraw/zinc/02/20/45/1062022045.db2.gz YJMHESAXBDNHKB-QGZVFWFLSA-N 1 1 480.617 2.534 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 ZINC001294469506 1062022423 /nfs/dbraw/zinc/02/24/23/1062022423.db2.gz AAPOFCRNJBESKC-WATLYSKOSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001294474145 1062026871 /nfs/dbraw/zinc/02/68/71/1062026871.db2.gz NGNMMQFTFYCIDF-SIKLNZKXSA-N 1 1 468.646 2.960 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046482 1062027379 /nfs/dbraw/zinc/02/73/79/1062027379.db2.gz RQBKKKQRHXPWGW-HXUWFJFHSA-N 1 1 495.594 2.838 20 0 JFADMO Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001290306868 1062033685 /nfs/dbraw/zinc/03/36/85/1062033685.db2.gz FMYVVLMXPLUFIV-LJQANCHMSA-N 1 1 463.648 2.997 20 0 JFADMO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001294496874 1062034903 /nfs/dbraw/zinc/03/49/03/1062034903.db2.gz DNVKOMRCDZQODC-LJQANCHMSA-N 1 1 466.627 2.545 20 0 JFADMO CC(C)(C)NC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001287048274 1062036864 /nfs/dbraw/zinc/03/68/64/1062036864.db2.gz SXEDVJVNGUGWGW-JOCHJYFZSA-N 1 1 489.709 2.878 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287048305 1062037035 /nfs/dbraw/zinc/03/70/35/1062037035.db2.gz UGSJBHFDWOOSOW-KCZVDYSFSA-N 1 1 490.693 2.660 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)CC1 ZINC001294502838 1062037948 /nfs/dbraw/zinc/03/79/48/1062037948.db2.gz QHGOLLFPDBNHAF-LIRRHRJNSA-N 1 1 455.502 2.626 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294506027 1062043075 /nfs/dbraw/zinc/04/30/75/1062043075.db2.gz FUEJJBNDMPCLFM-QAPCUYQASA-N 1 1 453.429 2.985 20 0 JFADMO C[N@@H+](CCCNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318950 1062043207 /nfs/dbraw/zinc/04/32/07/1062043207.db2.gz RZNCGATVGMCBAJ-WJOKGBTCSA-N 1 1 451.633 2.773 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294506205 1062043760 /nfs/dbraw/zinc/04/37/60/1062043760.db2.gz HWYSMHXZFCRKJH-HZPDHXFCSA-N 1 1 467.368 2.882 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294506206 1062043896 /nfs/dbraw/zinc/04/38/96/1062043896.db2.gz HWYSMHXZFCRKJH-JKSUJKDBSA-N 1 1 467.368 2.882 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294507819 1062045256 /nfs/dbraw/zinc/04/52/56/1062045256.db2.gz UTKITVJJPWVZIG-OAHLLOKOSA-N 1 1 466.428 2.825 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294508093 1062046073 /nfs/dbraw/zinc/04/60/73/1062046073.db2.gz XQZTYJRFQMGZLQ-HNNXBMFYSA-N 1 1 479.423 2.760 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001294515483 1062051427 /nfs/dbraw/zinc/05/14/27/1062051427.db2.gz HHKJSZXZAUTFNV-UHFFFAOYSA-N 1 1 456.639 2.639 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001294515451 1062051718 /nfs/dbraw/zinc/05/17/18/1062051718.db2.gz GSPWAONFERNNMR-UHFFFAOYSA-N 1 1 453.591 2.804 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294516204 1062052911 /nfs/dbraw/zinc/05/29/11/1062052911.db2.gz ODQFDGPNNKFGQU-UHFFFAOYSA-N 1 1 452.607 2.746 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290335783 1062054972 /nfs/dbraw/zinc/05/49/72/1062054972.db2.gz BVLDIUNAYARIFY-SJLPKXTDSA-N 1 1 451.662 2.918 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294520982 1062056410 /nfs/dbraw/zinc/05/64/10/1062056410.db2.gz CIYWRAKMZJVXOE-INIZCTEOSA-N 1 1 476.423 2.653 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001294522585 1062058736 /nfs/dbraw/zinc/05/87/36/1062058736.db2.gz GMDXDKBIBUSKFN-SFHVURJKSA-N 1 1 456.591 2.540 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001294522884 1062058784 /nfs/dbraw/zinc/05/87/84/1062058784.db2.gz WGHLZCLUXWSZRR-JQVVWYNYSA-N 1 1 459.591 2.763 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287053434 1062059917 /nfs/dbraw/zinc/05/99/17/1062059917.db2.gz KKFOMVMZIAZQNV-UHFFFAOYSA-N 1 1 450.628 2.744 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287053434 1062059940 /nfs/dbraw/zinc/05/99/40/1062059940.db2.gz KKFOMVMZIAZQNV-UHFFFAOYSA-N 1 1 450.628 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060649 /nfs/dbraw/zinc/06/06/49/1062060649.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 1 1 461.699 2.733 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524798 1062061950 /nfs/dbraw/zinc/06/19/50/1062061950.db2.gz RCTWGEZIBZWQJV-QPPBQGQZSA-N 1 1 467.662 2.666 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001294527065 1062063390 /nfs/dbraw/zinc/06/33/90/1062063390.db2.gz KYSBIHQKIUAOEZ-UHFFFAOYSA-N 1 1 459.664 2.957 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001294528093 1062064477 /nfs/dbraw/zinc/06/44/77/1062064477.db2.gz SBIIARVTONVXBO-RBBKRZOGSA-N 1 1 454.619 2.954 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001294528584 1062064829 /nfs/dbraw/zinc/06/48/29/1062064829.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 1 1 491.681 2.603 20 0 JFADMO Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC001290361784 1062070845 /nfs/dbraw/zinc/07/08/45/1062070845.db2.gz ORIQBYGIEJYEFK-NRFANRHFSA-N 1 1 497.669 2.588 20 0 JFADMO Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1 ZINC001290371185 1062075382 /nfs/dbraw/zinc/07/53/82/1062075382.db2.gz IENZPDRLJYBGHX-UHFFFAOYSA-N 1 1 488.706 2.533 20 0 JFADMO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC001294556573 1062077952 /nfs/dbraw/zinc/07/79/52/1062077952.db2.gz VONHRJQZQQWYBV-VQTJNVASSA-N 1 1 459.616 2.782 20 0 JFADMO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001294555868 1062077996 /nfs/dbraw/zinc/07/79/96/1062077996.db2.gz YODDJUBSMWKHEO-PWRODBHTSA-N 1 1 459.587 2.956 20 0 JFADMO CC(C)(C)OC(=O)NC1(Cn2c(-c3cccnc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)COC1 ZINC001287056905 1062079157 /nfs/dbraw/zinc/07/91/57/1062079157.db2.gz MXZQKKRSEJRSQL-UHFFFAOYSA-N 1 1 485.633 2.944 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001287059189 1062088160 /nfs/dbraw/zinc/08/81/60/1062088160.db2.gz DGEDQVHXQBHHPG-PZJWPPBQSA-N 1 1 492.665 2.512 20 0 JFADMO CCCN(CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001294579191 1062090538 /nfs/dbraw/zinc/09/05/38/1062090538.db2.gz BAGGNGYHQIAXEF-HXUWFJFHSA-N 1 1 489.665 2.836 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290391000 1062093348 /nfs/dbraw/zinc/09/33/48/1062093348.db2.gz JGXCOBYKESVATE-INIZCTEOSA-N 1 1 473.569 2.575 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001290400122 1062100918 /nfs/dbraw/zinc/10/09/18/1062100918.db2.gz ACQKLAMDJVJZNS-IBGZPJMESA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2OCCC2(C)C)cs1 ZINC001290400122 1062100922 /nfs/dbraw/zinc/10/09/22/1062100922.db2.gz ACQKLAMDJVJZNS-IBGZPJMESA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCCc2c[nH]nc2C)cs1 ZINC001290400983 1062104378 /nfs/dbraw/zinc/10/43/78/1062104378.db2.gz JDPBQNRRXFONJN-UHFFFAOYSA-N 1 1 472.663 2.845 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCCc2c[nH]nc2C)cs1 ZINC001290400983 1062104390 /nfs/dbraw/zinc/10/43/90/1062104390.db2.gz JDPBQNRRXFONJN-UHFFFAOYSA-N 1 1 472.663 2.845 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287062987 1062110930 /nfs/dbraw/zinc/11/09/30/1062110930.db2.gz GGWFUMWSZBHJGV-SFTDATJTSA-N 1 1 476.666 2.819 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290404313 1062112963 /nfs/dbraw/zinc/11/29/63/1062112963.db2.gz HLKCUVOJBSAPAW-PXNSSMCTSA-N 1 1 462.664 2.994 20 0 JFADMO C[N@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC[C@@H]21 ZINC001294605301 1062115620 /nfs/dbraw/zinc/11/56/20/1062115620.db2.gz FPCQTMLHAGLEAV-LRDDRELGSA-N 1 1 453.914 2.580 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC001290405711 1062117071 /nfs/dbraw/zinc/11/70/71/1062117071.db2.gz SIBCLXDHJQPSRO-SFHVURJKSA-N 1 1 475.707 2.911 20 0 JFADMO CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001294613742 1062122936 /nfs/dbraw/zinc/12/29/36/1062122936.db2.gz QLCMEMUVDHVMDO-UHFFFAOYSA-N 1 1 450.628 2.961 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290410087 1062125202 /nfs/dbraw/zinc/12/52/02/1062125202.db2.gz WUFGWXQKQORWDB-NKXGVUCQSA-N 1 1 450.678 2.854 20 0 JFADMO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001294617079 1062126314 /nfs/dbraw/zinc/12/63/14/1062126314.db2.gz NIPDQWFIQAPKKK-UXHICEINSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](c3nccs3)C2)C1 ZINC001294633155 1062142215 /nfs/dbraw/zinc/14/22/15/1062142215.db2.gz NKZCPDYVRFJNTM-PKOBYXMFSA-N 1 1 475.663 2.963 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294633496 1062143441 /nfs/dbraw/zinc/14/34/41/1062143441.db2.gz OZHDLKWNXMFAPQ-CLOONOSVSA-N 1 1 467.618 2.581 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cccc(O)c3)CC2)C1 ZINC001294634590 1062145372 /nfs/dbraw/zinc/14/53/72/1062145372.db2.gz UYUBNDHKGGPUJX-HXUWFJFHSA-N 1 1 483.661 2.961 20 0 JFADMO CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294635586 1062147411 /nfs/dbraw/zinc/14/74/11/1062147411.db2.gz BGTXRQNZUBOJED-OALUTQOASA-N 1 1 475.638 2.503 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](COC)C2)C1 ZINC001294637886 1062153086 /nfs/dbraw/zinc/15/30/86/1062153086.db2.gz NAHXUJREDSTRCP-IFMALSPDSA-N 1 1 470.618 2.731 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@H](c3ccccc3)C2)C1 ZINC001294640820 1062158500 /nfs/dbraw/zinc/15/85/00/1062158500.db2.gz GFEWZNPWQBKFTA-URVUXULASA-N 1 1 490.674 2.588 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641303 1062161906 /nfs/dbraw/zinc/16/19/06/1062161906.db2.gz LUCOUFWDKIYMCY-KOUHRCEDSA-N 1 1 478.638 2.562 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001294642876 1062166156 /nfs/dbraw/zinc/16/61/56/1062166156.db2.gz WENJOSGTAGBSCR-HNNXBMFYSA-N 1 1 466.428 2.728 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001294642896 1062166590 /nfs/dbraw/zinc/16/65/90/1062166590.db2.gz WQTPTPLKWLIUBR-VFNWGFHPSA-N 1 1 478.439 2.730 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001294643275 1062167685 /nfs/dbraw/zinc/16/76/85/1062167685.db2.gz YVAFVGIEBCHZMH-QRVBRYPASA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 ZINC001294645283 1062170764 /nfs/dbraw/zinc/17/07/64/1062170764.db2.gz ATANGAPXMLEJAC-CTNGQTDRSA-N 1 1 471.650 2.615 20 0 JFADMO COC(=O)COc1c(C)cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)cc1C ZINC001294645490 1062172825 /nfs/dbraw/zinc/17/28/25/1062172825.db2.gz MTLGORFQSKTSFM-FQEVSTJZSA-N 1 1 456.539 2.877 20 0 JFADMO COC(=O)COc1c(C)cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)cc1C ZINC001294645490 1062172837 /nfs/dbraw/zinc/17/28/37/1062172837.db2.gz MTLGORFQSKTSFM-FQEVSTJZSA-N 1 1 456.539 2.877 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645487 1062172880 /nfs/dbraw/zinc/17/28/80/1062172880.db2.gz MSFIMTMQAVXSIV-SQJMNOBHSA-N 1 1 451.567 2.930 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645487 1062172898 /nfs/dbraw/zinc/17/28/98/1062172898.db2.gz MSFIMTMQAVXSIV-SQJMNOBHSA-N 1 1 451.567 2.930 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)CCNC(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1 ZINC001294646407 1062176457 /nfs/dbraw/zinc/17/64/57/1062176457.db2.gz URIWDRHTRIOTRC-IBGZPJMESA-N 1 1 450.539 2.696 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)CCNC(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1 ZINC001294646407 1062176463 /nfs/dbraw/zinc/17/64/63/1062176463.db2.gz URIWDRHTRIOTRC-IBGZPJMESA-N 1 1 450.539 2.696 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646626 1062177500 /nfs/dbraw/zinc/17/75/00/1062177500.db2.gz XEYNMDUIXBPYLP-TZIWHRDSSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646626 1062177512 /nfs/dbraw/zinc/17/75/12/1062177512.db2.gz XEYNMDUIXBPYLP-TZIWHRDSSA-N 1 1 458.603 2.759 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCOC[C@@H]2CCOC2)cs1 ZINC001290428914 1062182748 /nfs/dbraw/zinc/18/27/48/1062182748.db2.gz UHOZYSBKTISTHW-FQEVSTJZSA-N 1 1 462.664 2.998 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294647287 1062182815 /nfs/dbraw/zinc/18/28/15/1062182815.db2.gz SOAQKKAJOZIZCR-UYAOXDASSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001294648927 1062188930 /nfs/dbraw/zinc/18/89/30/1062188930.db2.gz LLRWQQVOWIBFOB-CJAUYULYSA-N 1 1 470.618 2.657 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294648731 1062189202 /nfs/dbraw/zinc/18/92/02/1062189202.db2.gz SHCWDMGMMGDBNQ-HXUWFJFHSA-N 1 1 474.675 2.975 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287070174 1062189167 /nfs/dbraw/zinc/18/91/67/1062189167.db2.gz QXUBEETWYHBORV-HXUWFJFHSA-N 1 1 491.036 2.958 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287070174 1062189176 /nfs/dbraw/zinc/18/91/76/1062189176.db2.gz QXUBEETWYHBORV-HXUWFJFHSA-N 1 1 491.036 2.958 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001294649628 1062192160 /nfs/dbraw/zinc/19/21/60/1062192160.db2.gz FFUXVWNDVDBHJX-RBUKOAKNSA-N 1 1 450.591 2.563 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001290431738 1062193160 /nfs/dbraw/zinc/19/31/60/1062193160.db2.gz JKYDDKAICBMNSV-HKUYNNGSSA-N 1 1 459.664 2.669 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001294649943 1062193320 /nfs/dbraw/zinc/19/33/20/1062193320.db2.gz FPUWLPWWMNLDNT-RTBURBONSA-N 1 1 451.619 2.987 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001294649719 1062193340 /nfs/dbraw/zinc/19/33/40/1062193340.db2.gz PPFYFZRDNGJQGK-CQSZACIVSA-N 1 1 467.437 2.779 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001294649941 1062193402 /nfs/dbraw/zinc/19/34/02/1062193402.db2.gz FPUWLPWWMNLDNT-OALUTQOASA-N 1 1 451.619 2.987 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001294649965 1062194543 /nfs/dbraw/zinc/19/45/43/1062194543.db2.gz GALGWIPNJOCKFT-UXHICEINSA-N 1 1 464.618 2.681 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290434953 1062201206 /nfs/dbraw/zinc/20/12/06/1062201206.db2.gz AQBQOCDVCUXKLQ-OAHLLOKOSA-N 1 1 457.570 2.802 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290435051 1062202647 /nfs/dbraw/zinc/20/26/47/1062202647.db2.gz FRRYBAZMLVVNLY-IBGZPJMESA-N 1 1 461.680 2.665 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658362 1062204033 /nfs/dbraw/zinc/20/40/33/1062204033.db2.gz PBZQGQARWROPGD-RTBURBONSA-N 1 1 479.622 2.696 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658490 1062205310 /nfs/dbraw/zinc/20/53/10/1062205310.db2.gz QXBSATXLRRINLH-UXHICEINSA-N 1 1 467.618 2.653 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294663162 1062215993 /nfs/dbraw/zinc/21/59/93/1062215993.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(CCOC)[C@H](C)C2)C1 ZINC001294663162 1062216011 /nfs/dbraw/zinc/21/60/11/1062216011.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 1 1 458.626 2.897 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294663820 1062217284 /nfs/dbraw/zinc/21/72/84/1062217284.db2.gz TUSIZUCDIOYINM-QFIPXVFZSA-N 1 1 453.635 2.691 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001294666352 1062219087 /nfs/dbraw/zinc/21/90/87/1062219087.db2.gz CVZNDFSRFLYEFO-GOSISDBHSA-N 1 1 460.554 2.617 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(=O)NC)C2)C1 ZINC001294669846 1062226009 /nfs/dbraw/zinc/22/60/09/1062226009.db2.gz MHWSKPWIXQPPRA-PLACYPQZSA-N 1 1 460.667 2.891 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294670113 1062226604 /nfs/dbraw/zinc/22/66/04/1062226604.db2.gz PECISADPJVYRAT-HSZRJFAPSA-N 1 1 488.702 2.657 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001294670659 1062228897 /nfs/dbraw/zinc/22/88/97/1062228897.db2.gz UBCSYXWDXLNPNU-FQEVSTJZSA-N 1 1 454.619 2.957 20 0 JFADMO CCNC(=O)CN1CCCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001290450625 1062229313 /nfs/dbraw/zinc/22/93/13/1062229313.db2.gz RBHYZCBRZXAYRI-DEOSSOPVSA-N 1 1 454.590 2.697 20 0 JFADMO COc1ccc(CCC2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001290452114 1062229774 /nfs/dbraw/zinc/22/97/74/1062229774.db2.gz KZCOURKYMCZUDH-DEOSSOPVSA-N 1 1 457.615 2.580 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCCN(CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231113 /nfs/dbraw/zinc/23/11/13/1062231113.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 1 1 461.699 2.688 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674959 1062234922 /nfs/dbraw/zinc/23/49/22/1062234922.db2.gz PHNMISYPBDKNBT-HSALFYBXSA-N 1 1 478.638 2.591 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294684611 1062244678 /nfs/dbraw/zinc/24/46/78/1062244678.db2.gz VAFUFMOGVNTTJV-NJDAHSKKSA-N 1 1 462.683 2.980 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001294687839 1062248066 /nfs/dbraw/zinc/24/80/66/1062248066.db2.gz RJFPSFVHOUFRFX-DEOSSOPVSA-N 1 1 469.678 2.931 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1F ZINC001290466686 1062251533 /nfs/dbraw/zinc/25/15/33/1062251533.db2.gz IUPSDFSYJFSWTM-UHFFFAOYSA-N 1 1 458.555 2.851 20 0 JFADMO Cc1nc(CN2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)no1 ZINC001290467655 1062252640 /nfs/dbraw/zinc/25/26/40/1062252640.db2.gz IJXKXKGBLIVOJG-UHFFFAOYSA-N 1 1 470.597 2.752 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001294693634 1062252966 /nfs/dbraw/zinc/25/29/66/1062252966.db2.gz OWYXBDJEJFJXSL-FQEVSTJZSA-N 1 1 468.650 2.705 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001294693877 1062253989 /nfs/dbraw/zinc/25/39/89/1062253989.db2.gz IKSBAAAXBFBYCJ-SFTDATJTSA-N 1 1 496.660 2.883 20 0 JFADMO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294694536 1062254042 /nfs/dbraw/zinc/25/40/42/1062254042.db2.gz KJJUWSPGPFARGR-LEWJYISDSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294694536 1062254065 /nfs/dbraw/zinc/25/40/65/1062254065.db2.gz KJJUWSPGPFARGR-LEWJYISDSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 ZINC001294694235 1062254257 /nfs/dbraw/zinc/25/42/57/1062254257.db2.gz KDJAIMUATKGMCL-OAQYLSRUSA-N 1 1 483.665 2.578 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001294694491 1062254675 /nfs/dbraw/zinc/25/46/75/1062254675.db2.gz UPCXCXUCZUVBMK-WOJBJXKFSA-N 1 1 456.639 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001294695024 1062256328 /nfs/dbraw/zinc/25/63/28/1062256328.db2.gz XUSGTPBAPLIKTA-OAQYLSRUSA-N 1 1 488.706 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294695955 1062256688 /nfs/dbraw/zinc/25/66/88/1062256688.db2.gz BEZVGZAHZZCNRV-FGZHOGPDSA-N 1 1 454.619 2.859 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 ZINC001294695596 1062256953 /nfs/dbraw/zinc/25/69/53/1062256953.db2.gz OOZIEJOFPVMKRC-IBGZPJMESA-N 1 1 469.590 2.579 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294695959 1062257747 /nfs/dbraw/zinc/25/77/47/1062257747.db2.gz BEZVGZAHZZCNRV-VXKWHMMOSA-N 1 1 454.619 2.859 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001294698463 1062261043 /nfs/dbraw/zinc/26/10/43/1062261043.db2.gz JJZSDYKWPVKVMQ-HXUWFJFHSA-N 1 1 470.618 2.929 20 0 JFADMO Cc1nc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@H+](C)C(C)C)CC2)cs1 ZINC001290470159 1062261423 /nfs/dbraw/zinc/26/14/23/1062261423.db2.gz XVIAMTZIPZJIFC-HXUWFJFHSA-N 1 1 461.680 2.990 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001294698471 1062261773 /nfs/dbraw/zinc/26/17/73/1062261773.db2.gz XRIWXOZUYTUFOI-NRSPTQNISA-N 1 1 482.695 2.548 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001294698472 1062261813 /nfs/dbraw/zinc/26/18/13/1062261813.db2.gz XRIWXOZUYTUFOI-TYPHKJRUSA-N 1 1 482.695 2.548 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(=O)NC ZINC001294700232 1062264779 /nfs/dbraw/zinc/26/47/79/1062264779.db2.gz VOXFMHUCZPEJCW-QFIPXVFZSA-N 1 1 464.618 2.968 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294699919 1062265297 /nfs/dbraw/zinc/26/52/97/1062265297.db2.gz PZFLOWZOAAXYSJ-GOSISDBHSA-N 1 1 461.014 2.719 20 0 JFADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC001290474760 1062265696 /nfs/dbraw/zinc/26/56/96/1062265696.db2.gz SFVHKYMOWDHOHP-QGZVFWFLSA-N 1 1 484.630 2.828 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001294701442 1062267337 /nfs/dbraw/zinc/26/73/37/1062267337.db2.gz ZYNFVQJRUHUIFU-LJQANCHMSA-N 1 1 456.591 2.553 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294706326 1062269594 /nfs/dbraw/zinc/26/95/94/1062269594.db2.gz ASICCRCNEYRCAP-LEWJYISDSA-N 1 1 457.623 2.794 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294708522 1062274792 /nfs/dbraw/zinc/27/47/92/1062274792.db2.gz RHBNUNPJBJETBO-DNVJHFABSA-N 1 1 489.709 2.821 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294708253 1062274979 /nfs/dbraw/zinc/27/49/79/1062274979.db2.gz HTXFGHIBTGUQIB-QHCPKHFHSA-N 1 1 473.710 2.922 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294708889 1062276133 /nfs/dbraw/zinc/27/61/33/1062276133.db2.gz SNDWKTKNRNPWNU-DVECYGJZSA-N 1 1 459.639 2.556 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294709148 1062276995 /nfs/dbraw/zinc/27/69/95/1062276995.db2.gz GYFANZFJASYBQN-LVCYWYKZSA-N 1 1 475.556 2.962 20 0 JFADMO CC(C)(Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001287090038 1062280141 /nfs/dbraw/zinc/28/01/41/1062280141.db2.gz DCUQLEIOYVPNAL-UHFFFAOYSA-N 1 1 461.010 2.801 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294712096 1062280954 /nfs/dbraw/zinc/28/09/54/1062280954.db2.gz PNRCSEBUXOGFCX-FQEVSTJZSA-N 1 1 473.597 2.722 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294712598 1062282788 /nfs/dbraw/zinc/28/27/88/1062282788.db2.gz UPCMXPFUIZUBCR-QUCCMNQESA-N 1 1 487.674 2.591 20 0 JFADMO Cc1ncc(CN2CCN(c3nnc(-c4cnccn4)n3CCC[N@H+](C)C(C)C)CC2)s1 ZINC001290496059 1062284011 /nfs/dbraw/zinc/28/40/11/1062284011.db2.gz CRCVTXXTHKCINN-UHFFFAOYSA-N 1 1 455.636 2.553 20 0 JFADMO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(F)(F)F ZINC001287091367 1062284759 /nfs/dbraw/zinc/28/47/59/1062284759.db2.gz YKCKWFLDDRRCAA-LJQANCHMSA-N 1 1 494.562 2.958 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713340 1062286137 /nfs/dbraw/zinc/28/61/37/1062286137.db2.gz YRISVMFDAFXHDE-VXKWHMMOSA-N 1 1 459.660 2.951 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294713613 1062287036 /nfs/dbraw/zinc/28/70/36/1062287036.db2.gz ZSSVJJXFEFKPAC-WOJBJXKFSA-N 1 1 489.665 2.768 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294713728 1062287720 /nfs/dbraw/zinc/28/77/20/1062287720.db2.gz ZRBAUSCPEPXHJW-OFVILXPXSA-N 1 1 476.666 2.642 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294713627 1062287870 /nfs/dbraw/zinc/28/78/70/1062287870.db2.gz ZVJCKRSSLVCNCR-HXUWFJFHSA-N 1 1 459.664 2.957 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287092359 1062288109 /nfs/dbraw/zinc/28/81/09/1062288109.db2.gz AVRDILARUBCRPK-VQTJNVASSA-N 1 1 492.665 2.982 20 0 JFADMO Cc1nccc(N2CCN(c3nnc(COc4ccccc4F)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001290501381 1062293097 /nfs/dbraw/zinc/29/30/97/1062293097.db2.gz LGCCNWLQVLJWHL-UHFFFAOYSA-N 1 1 468.581 2.761 20 0 JFADMO CC(C)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1)C(F)(F)F ZINC001287094567 1062295679 /nfs/dbraw/zinc/29/56/79/1062295679.db2.gz WZTHREOYZCWLNB-UHFFFAOYSA-N 1 1 498.619 2.800 20 0 JFADMO CCCN1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)CC1=O ZINC001294720712 1062296214 /nfs/dbraw/zinc/29/62/14/1062296214.db2.gz KTWNNDZQAVBSTE-UHFFFAOYSA-N 1 1 493.450 2.735 20 0 JFADMO Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001290502051 1062296882 /nfs/dbraw/zinc/29/68/82/1062296882.db2.gz VSMXYOGVBCDNJV-UHFFFAOYSA-N 1 1 452.469 2.877 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001290503317 1062298623 /nfs/dbraw/zinc/29/86/23/1062298623.db2.gz GGXMOFIKVLFZHH-IHPCNDPISA-N 1 1 463.652 2.890 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001290506788 1062303844 /nfs/dbraw/zinc/30/38/44/1062303844.db2.gz DQVLUYLFEFCIPR-HXUWFJFHSA-N 1 1 476.578 2.605 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOCC1 ZINC001290508726 1062307535 /nfs/dbraw/zinc/30/75/35/1062307535.db2.gz ZLEULIISNABPGA-UHFFFAOYSA-N 1 1 458.998 2.747 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001294725108 1062307646 /nfs/dbraw/zinc/30/76/46/1062307646.db2.gz RTYBRPAMYYXQHJ-UHFFFAOYSA-N 1 1 468.602 2.673 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N(C)CC(=O)NC(C)C ZINC001290510521 1062308128 /nfs/dbraw/zinc/30/81/28/1062308128.db2.gz DDOIEXOFRVIEGZ-UHFFFAOYSA-N 1 1 477.411 2.602 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001290511528 1062311592 /nfs/dbraw/zinc/31/15/92/1062311592.db2.gz YEZYENHAQLVQED-SFHVURJKSA-N 1 1 469.594 2.902 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001290513925 1062311965 /nfs/dbraw/zinc/31/19/65/1062311965.db2.gz GWXBSQZVTBKWNC-UHFFFAOYSA-N 1 1 468.503 2.901 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001290514673 1062313544 /nfs/dbraw/zinc/31/35/44/1062313544.db2.gz AWSVJRMYILCDSB-QGZVFWFLSA-N 1 1 474.553 2.944 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC(=O)NC(C)C ZINC001290514777 1062313741 /nfs/dbraw/zinc/31/37/41/1062313741.db2.gz QCJLVNNSROLDLI-UHFFFAOYSA-N 1 1 461.574 2.687 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCNS(C)(=O)=O ZINC001290514918 1062314321 /nfs/dbraw/zinc/31/43/21/1062314321.db2.gz SPOWFLWJINSRPX-MRXNPFEDSA-N 1 1 491.687 2.712 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001290515508 1062316389 /nfs/dbraw/zinc/31/63/89/1062316389.db2.gz KCTBQPXFSKUWSZ-UHFFFAOYSA-N 1 1 453.513 2.721 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001290517216 1062316914 /nfs/dbraw/zinc/31/69/14/1062316914.db2.gz BBWXZIHQDWUWBQ-UHFFFAOYSA-N 1 1 491.499 2.588 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001290517189 1062317060 /nfs/dbraw/zinc/31/70/60/1062317060.db2.gz AXMHTWDODQVDPP-MRXNPFEDSA-N 1 1 457.966 2.773 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCC[C@H](NC(=O)C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290517695 1062318527 /nfs/dbraw/zinc/31/85/27/1062318527.db2.gz HGSATZLNXHWOPZ-SQJMNOBHSA-N 1 1 487.649 2.655 20 0 JFADMO CCCN1CCCN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294734665 1062319465 /nfs/dbraw/zinc/31/94/65/1062319465.db2.gz YYBBHQWPCKXMNE-QFIPXVFZSA-N 1 1 454.619 2.753 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290518168 1062319764 /nfs/dbraw/zinc/31/97/64/1062319764.db2.gz YDXWPSURIGQLRK-IBGZPJMESA-N 1 1 459.595 2.556 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1=O ZINC001294735470 1062320299 /nfs/dbraw/zinc/32/02/99/1062320299.db2.gz SXKWILZXLJBESN-UHFFFAOYSA-N 1 1 453.635 2.835 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001290521334 1062320999 /nfs/dbraw/zinc/32/09/99/1062320999.db2.gz IXSSGZCCAVOLTH-MRXNPFEDSA-N 1 1 458.364 2.614 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287109013 1062321038 /nfs/dbraw/zinc/32/10/38/1062321038.db2.gz DXRUFFXVJBLFJH-FQEVSTJZSA-N 1 1 472.609 2.626 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001290523944 1062324631 /nfs/dbraw/zinc/32/46/31/1062324631.db2.gz VOAHLEBXPLPXJH-PMACEKPBSA-N 1 1 457.623 2.756 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001290528387 1062328552 /nfs/dbraw/zinc/32/85/52/1062328552.db2.gz FOSRTVCSLMHHPK-UHFFFAOYSA-N 1 1 467.020 2.664 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001287112459 1062329727 /nfs/dbraw/zinc/32/97/27/1062329727.db2.gz QITBHPPODGMALA-QHCPKHFHSA-N 1 1 482.673 2.885 20 0 JFADMO C[C@@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC001294743138 1062330695 /nfs/dbraw/zinc/33/06/95/1062330695.db2.gz WPQWVBIDULVCLR-ZXYWRSMDSA-N 1 1 459.509 2.765 20 0 JFADMO C[C@@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC001294743138 1062330718 /nfs/dbraw/zinc/33/07/18/1062330718.db2.gz WPQWVBIDULVCLR-ZXYWRSMDSA-N 1 1 459.509 2.765 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001290529992 1062331289 /nfs/dbraw/zinc/33/12/89/1062331289.db2.gz VDHJNMOJEREMHF-CZUORRHYSA-N 1 1 483.520 2.631 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001290530116 1062331966 /nfs/dbraw/zinc/33/19/66/1062331966.db2.gz YJEXFFNDUVWYBO-SFHVURJKSA-N 1 1 491.518 2.610 20 0 JFADMO Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001290530299 1062332566 /nfs/dbraw/zinc/33/25/66/1062332566.db2.gz ZOCNXMUYRJDECC-SFHVURJKSA-N 1 1 468.631 2.702 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)CC1 ZINC001287113529 1062332788 /nfs/dbraw/zinc/33/27/88/1062332788.db2.gz LGNYSPKPLVFSFT-UHFFFAOYSA-N 1 1 466.428 2.681 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294745491 1062337942 /nfs/dbraw/zinc/33/79/42/1062337942.db2.gz QSXLGMMXRCXFSH-ZVDOUQERSA-N 1 1 490.674 2.683 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294745761 1062339155 /nfs/dbraw/zinc/33/91/55/1062339155.db2.gz WLBDONCTGQNUDQ-XZOQPEGZSA-N 1 1 468.646 2.989 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294750416 1062340213 /nfs/dbraw/zinc/34/02/13/1062340213.db2.gz OEYLQAGBLQSSPU-QFIPXVFZSA-N 1 1 454.619 2.677 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294751424 1062340599 /nfs/dbraw/zinc/34/05/99/1062340599.db2.gz VTXSANHVEUQNMO-LPHOPBHVSA-N 1 1 464.973 2.563 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001287115424 1062341900 /nfs/dbraw/zinc/34/19/00/1062341900.db2.gz IPSUNBVWECLYGH-DHIUTWEWSA-N 1 1 468.646 2.757 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294758038 1062348848 /nfs/dbraw/zinc/34/88/48/1062348848.db2.gz RJVJSXSEUMLUSV-VXKWHMMOSA-N 1 1 453.635 2.879 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294759568 1062349347 /nfs/dbraw/zinc/34/93/47/1062349347.db2.gz GNEZNPFHGVTZAL-CNNODRBYSA-N 1 1 488.599 2.877 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294760123 1062350058 /nfs/dbraw/zinc/35/00/58/1062350058.db2.gz LGQDMHZGOGJNRL-PMACEKPBSA-N 1 1 479.622 2.884 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287117168 1062350310 /nfs/dbraw/zinc/35/03/10/1062350310.db2.gz FIIGNFPXNRWFAT-OAQYLSRUSA-N 1 1 486.636 2.860 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287117168 1062350334 /nfs/dbraw/zinc/35/03/34/1062350334.db2.gz FIIGNFPXNRWFAT-OAQYLSRUSA-N 1 1 486.636 2.860 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccccc2F)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290548854 1062350976 /nfs/dbraw/zinc/35/09/76/1062350976.db2.gz GVJZECIZEGZMOP-GOSISDBHSA-N 1 1 485.608 2.951 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287118849 1062356440 /nfs/dbraw/zinc/35/64/40/1062356440.db2.gz QQJRXDKRFGKWJS-OAQYLSRUSA-N 1 1 460.667 2.863 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287118849 1062356464 /nfs/dbraw/zinc/35/64/64/1062356464.db2.gz QQJRXDKRFGKWJS-OAQYLSRUSA-N 1 1 460.667 2.863 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287118968 1062357482 /nfs/dbraw/zinc/35/74/82/1062357482.db2.gz SAWBAYBTNWBEHH-QFIPXVFZSA-N 1 1 486.636 2.860 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287118968 1062357506 /nfs/dbraw/zinc/35/75/06/1062357506.db2.gz SAWBAYBTNWBEHH-QFIPXVFZSA-N 1 1 486.636 2.860 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001290563206 1062365866 /nfs/dbraw/zinc/36/58/66/1062365866.db2.gz KTWBINBZSBOPTK-UHFFFAOYSA-N 1 1 497.648 2.813 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 ZINC001290563864 1062366236 /nfs/dbraw/zinc/36/62/36/1062366236.db2.gz NSYLLJJFMWHFHJ-UHFFFAOYSA-N 1 1 484.693 2.988 20 0 JFADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563818 1062366479 /nfs/dbraw/zinc/36/64/79/1062366479.db2.gz KSORULKALWKKNR-BGYRXZFFSA-N 1 1 486.709 2.962 20 0 JFADMO CCCn1nc(-c2nnc(N3CCOCC3)n2CC[N@@H+](C)[C@@H](C)CC)c2ccccc2c1=O ZINC001294771757 1062371250 /nfs/dbraw/zinc/37/12/50/1062371250.db2.gz SUMOPVCFEPHZII-SFHVURJKSA-N 1 1 453.591 2.632 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001287122782 1062374466 /nfs/dbraw/zinc/37/44/66/1062374466.db2.gz CGKFMALMFJYGOG-OAQYLSRUSA-N 1 1 489.709 2.550 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290578158 1062384175 /nfs/dbraw/zinc/38/41/75/1062384175.db2.gz NRPFFDZOYVMEPD-FGZHOGPDSA-N 1 1 485.681 2.834 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001287125062 1062385396 /nfs/dbraw/zinc/38/53/96/1062385396.db2.gz ZLFNJXRKMRTTNT-FQEVSTJZSA-N 1 1 472.609 2.794 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001294781157 1062386230 /nfs/dbraw/zinc/38/62/30/1062386230.db2.gz REBNKBJBOVPWOQ-RTWAWAEBSA-N 1 1 499.660 2.979 20 0 JFADMO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001290581593 1062388077 /nfs/dbraw/zinc/38/80/77/1062388077.db2.gz NRKJVFPIZOGMMR-VXKWHMMOSA-N 1 1 470.666 2.999 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001287128212 1062399063 /nfs/dbraw/zinc/39/90/63/1062399063.db2.gz PRMWCGLHCUYIKK-UHFFFAOYSA-N 1 1 482.608 2.692 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001287128342 1062399608 /nfs/dbraw/zinc/39/96/08/1062399608.db2.gz SOEFFUYHJQLAPH-RTWAWAEBSA-N 1 1 468.650 2.988 20 0 JFADMO CC(C)(C)OC(=O)N(CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC001290589385 1062401217 /nfs/dbraw/zinc/40/12/17/1062401217.db2.gz PBPJXGGODLCNOD-UHFFFAOYSA-N 1 1 454.575 2.547 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294790551 1062403285 /nfs/dbraw/zinc/40/32/85/1062403285.db2.gz RCULLYDGRPQITP-RTWAWAEBSA-N 1 1 472.634 2.946 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1c(Cl)cc(F)cc1Br ZINC001290589744 1062403201 /nfs/dbraw/zinc/40/32/01/1062403201.db2.gz RVLSSWBVIMCXRN-UHFFFAOYSA-N 1 1 456.747 2.974 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290592833 1062414106 /nfs/dbraw/zinc/41/41/06/1062414106.db2.gz AJJPDPQKZGIIDT-QGZVFWFLSA-N 1 1 472.663 2.947 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290592833 1062414119 /nfs/dbraw/zinc/41/41/19/1062414119.db2.gz AJJPDPQKZGIIDT-QGZVFWFLSA-N 1 1 472.663 2.947 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001294794380 1062421433 /nfs/dbraw/zinc/42/14/33/1062421433.db2.gz HOJAHKLFBWWDIX-UNMCSNQZSA-N 1 1 476.629 2.998 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001290599570 1062429080 /nfs/dbraw/zinc/42/90/80/1062429080.db2.gz WZXKCHMWHUQEKA-VWLOTQADSA-N 1 1 467.618 2.630 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CC[N@@H+]2CC=CCC2)n1 ZINC001290600472 1062431352 /nfs/dbraw/zinc/43/13/52/1062431352.db2.gz STBPSZLSTFWRKI-UHFFFAOYSA-N 1 1 477.539 2.790 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cscn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001290601063 1062433653 /nfs/dbraw/zinc/43/36/53/1062433653.db2.gz XHHLBKJEJSOFOO-HXUWFJFHSA-N 1 1 458.636 2.589 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290605512 1062439782 /nfs/dbraw/zinc/43/97/82/1062439782.db2.gz SLFDGOKRGGULCU-KDURUIRLSA-N 1 1 456.595 2.652 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001294801154 1062442852 /nfs/dbraw/zinc/44/28/52/1062442852.db2.gz BNVZTDCDRDJTAF-RBBKRZOGSA-N 1 1 468.646 2.962 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001294801157 1062442883 /nfs/dbraw/zinc/44/28/83/1062442883.db2.gz BNVZTDCDRDJTAF-UNMCSNQZSA-N 1 1 468.646 2.962 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287135708 1062461716 /nfs/dbraw/zinc/46/17/16/1062461716.db2.gz VWEJZBJNSAGGCZ-UHFFFAOYSA-N 1 1 463.026 2.918 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287135708 1062461728 /nfs/dbraw/zinc/46/17/28/1062461728.db2.gz VWEJZBJNSAGGCZ-UHFFFAOYSA-N 1 1 463.026 2.918 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290621083 1062484356 /nfs/dbraw/zinc/48/43/56/1062484356.db2.gz VFSBNLVDOALVQC-KDURUIRLSA-N 1 1 470.666 2.600 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287141214 1062499359 /nfs/dbraw/zinc/49/93/59/1062499359.db2.gz ZPLAVBKGKJGCRN-NHCUHLMSSA-N 1 1 454.619 2.767 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCOC(C)C)n1 ZINC001290627496 1062500667 /nfs/dbraw/zinc/50/06/67/1062500667.db2.gz GFEWEIWPKVOQDY-UHFFFAOYSA-N 1 1 472.682 2.560 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2CCC(=O)NC(C)C)n1 ZINC001290629999 1062503320 /nfs/dbraw/zinc/50/33/20/1062503320.db2.gz WZVMYPUQKHRNON-HSZRJFAPSA-N 1 1 478.645 2.765 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001290631938 1062507858 /nfs/dbraw/zinc/50/78/58/1062507858.db2.gz TVCIMHCFFAUCGT-NRFANRHFSA-N 1 1 459.639 2.502 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001294822822 1062509502 /nfs/dbraw/zinc/50/95/02/1062509502.db2.gz RIPUSKZJAFYCHI-OAQYLSRUSA-N 1 1 483.661 2.892 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001294833358 1062522575 /nfs/dbraw/zinc/52/25/75/1062522575.db2.gz ZIMNVTALLVTXIE-HXUWFJFHSA-N 1 1 453.635 2.738 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001294833915 1062522895 /nfs/dbraw/zinc/52/28/95/1062522895.db2.gz JPBAWPBZJIMLIW-MQFRRQCYSA-N 1 1 490.693 2.865 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(=O)N(C)Cc2ccccc2)n1 ZINC001290639008 1062523067 /nfs/dbraw/zinc/52/30/67/1062523067.db2.gz FTCDMJPVKTXUBW-UHFFFAOYSA-N 1 1 478.645 2.719 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001287152200 1062525143 /nfs/dbraw/zinc/52/51/43/1062525143.db2.gz CZSUZLARCWFVBP-RUZDIDTESA-N 1 1 485.608 2.849 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287154466 1062535999 /nfs/dbraw/zinc/53/59/99/1062535999.db2.gz DCHTXYMNGZGUKV-FQEVSTJZSA-N 1 1 455.651 2.981 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCSC(C)C)n1 ZINC001290647152 1062540367 /nfs/dbraw/zinc/54/03/67/1062540367.db2.gz MWWIKSCPVAFTES-UHFFFAOYSA-N 1 1 485.706 2.954 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001290647311 1062540803 /nfs/dbraw/zinc/54/08/03/1062540803.db2.gz WCDPMVRMSDNLTJ-SIKLNZKXSA-N 1 1 470.666 2.565 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001287159104 1062554757 /nfs/dbraw/zinc/55/47/57/1062554757.db2.gz AOSRRBOXDYQELO-JOCHJYFZSA-N 1 1 455.582 2.735 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001287160250 1062558319 /nfs/dbraw/zinc/55/83/19/1062558319.db2.gz GXIGGJXQPYBMFQ-JOCHJYFZSA-N 1 1 473.572 2.874 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCOCC1 ZINC001287160251 1062558447 /nfs/dbraw/zinc/55/84/47/1062558447.db2.gz GXIGGJXQPYBMFQ-QFIPXVFZSA-N 1 1 473.572 2.874 20 0 JFADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCOCC3(C)C)C2)n1 ZINC001290657213 1062559992 /nfs/dbraw/zinc/55/99/92/1062559992.db2.gz WHXUXSYUXVCCSU-OAQYLSRUSA-N 1 1 458.655 2.712 20 0 JFADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCOCC3(C)C)C2)n1 ZINC001290657213 1062560013 /nfs/dbraw/zinc/56/00/13/1062560013.db2.gz WHXUXSYUXVCCSU-OAQYLSRUSA-N 1 1 458.655 2.712 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287160723 1062561171 /nfs/dbraw/zinc/56/11/71/1062561171.db2.gz TZOFJGVTCGXQIH-UFYCRDLUSA-N 1 1 488.599 2.949 20 0 JFADMO CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287161261 1062562252 /nfs/dbraw/zinc/56/22/52/1062562252.db2.gz WZXODCLWYGGVEU-OALUTQOASA-N 1 1 486.583 2.797 20 0 JFADMO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161461 1062562741 /nfs/dbraw/zinc/56/27/41/1062562741.db2.gz ALLPDWPPPOHYAT-ZDXQCDESSA-N 1 1 476.710 2.913 20 0 JFADMO CCCNC(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001294859849 1062564320 /nfs/dbraw/zinc/56/43/20/1062564320.db2.gz OLTKGBWIWNPQMF-UHFFFAOYSA-N 1 1 453.616 2.564 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287163495 1062569603 /nfs/dbraw/zinc/56/96/03/1062569603.db2.gz DXNKGNISWXLCKO-RBUKOAKNSA-N 1 1 474.572 2.561 20 0 JFADMO CC(C)[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163466 1062569643 /nfs/dbraw/zinc/56/96/43/1062569643.db2.gz RISVFHQWTXLCRT-UXHICEINSA-N 1 1 462.639 2.958 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001287164129 1062573285 /nfs/dbraw/zinc/57/32/85/1062573285.db2.gz YYUPXZWBFKWCTH-XMMPIXPASA-N 1 1 497.688 2.704 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[NH+]1CCOCC1 ZINC001287165632 1062576293 /nfs/dbraw/zinc/57/62/93/1062576293.db2.gz TYGLLZIUFZSQNI-HSALFYBXSA-N 1 1 494.706 2.959 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSCC1)[NH+]1CCOCC1 ZINC001287165633 1062576405 /nfs/dbraw/zinc/57/64/05/1062576405.db2.gz TYGLLZIUFZSQNI-ZCNNSNEGSA-N 1 1 494.706 2.959 20 0 JFADMO Cc1cc(C)n(CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290666826 1062576739 /nfs/dbraw/zinc/57/67/39/1062576739.db2.gz KQYOCCFIKUBVDS-SZPZYZBQSA-N 1 1 466.634 2.713 20 0 JFADMO Cc1cc(C)n(CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290666826 1062576761 /nfs/dbraw/zinc/57/67/61/1062576761.db2.gz KQYOCCFIKUBVDS-SZPZYZBQSA-N 1 1 466.634 2.713 20 0 JFADMO CC(C)c1ccnc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)n1 ZINC001287167094 1062579280 /nfs/dbraw/zinc/57/92/80/1062579280.db2.gz LCNSHLSDOGCYQZ-UHFFFAOYSA-N 1 1 470.666 2.829 20 0 JFADMO CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001294872203 1062579883 /nfs/dbraw/zinc/57/98/83/1062579883.db2.gz NQCZFRWWDFCNGP-KJXAQDMKSA-N 1 1 490.693 2.803 20 0 JFADMO CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287167699 1062580806 /nfs/dbraw/zinc/58/08/06/1062580806.db2.gz WDVHWRNKDGPPAI-UHFFFAOYSA-N 1 1 456.639 2.752 20 0 JFADMO CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287167699 1062580827 /nfs/dbraw/zinc/58/08/27/1062580827.db2.gz WDVHWRNKDGPPAI-UHFFFAOYSA-N 1 1 456.639 2.752 20 0 JFADMO Cc1nnc([C@@H]2CN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001290673750 1062583399 /nfs/dbraw/zinc/58/33/99/1062583399.db2.gz MMIWMZUYELFZNN-FQEVSTJZSA-N 1 1 482.589 2.757 20 0 JFADMO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001290679648 1062591403 /nfs/dbraw/zinc/59/14/03/1062591403.db2.gz GVXYDNJJINIBEU-UHFFFAOYSA-N 1 1 488.706 2.794 20 0 JFADMO Cc1nnc(CCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC001290679648 1062591422 /nfs/dbraw/zinc/59/14/22/1062591422.db2.gz GVXYDNJJINIBEU-UHFFFAOYSA-N 1 1 488.706 2.794 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294882717 1062596174 /nfs/dbraw/zinc/59/61/74/1062596174.db2.gz FXIFANVKQDWVGO-UHFFFAOYSA-N 1 1 450.534 2.993 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC001287175611 1062599881 /nfs/dbraw/zinc/59/98/81/1062599881.db2.gz WYUIYICJQXGWCY-WOJBJXKFSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cn1 ZINC001287175611 1062599904 /nfs/dbraw/zinc/59/99/04/1062599904.db2.gz WYUIYICJQXGWCY-WOJBJXKFSA-N 1 1 489.690 2.850 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287177270 1062601215 /nfs/dbraw/zinc/60/12/15/1062601215.db2.gz WYRYBCAIGSHPJS-UYAOXDASSA-N 1 1 463.648 2.849 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287177258 1062601235 /nfs/dbraw/zinc/60/12/35/1062601235.db2.gz WYRYBCAIGSHPJS-AZUAARDMSA-N 1 1 463.648 2.849 20 0 JFADMO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287179618 1062604651 /nfs/dbraw/zinc/60/46/51/1062604651.db2.gz MJVLMLQBGQEFQK-QHCPKHFHSA-N 1 1 493.699 2.649 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179814 1062605617 /nfs/dbraw/zinc/60/56/17/1062605617.db2.gz TZRVPWFXQGNUQG-RBBKRZOGSA-N 1 1 489.686 2.831 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001294887507 1062606665 /nfs/dbraw/zinc/60/66/65/1062606665.db2.gz KGTUQVARWXOQKK-KRWDZBQOSA-N 1 1 466.989 2.811 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294888308 1062609966 /nfs/dbraw/zinc/60/99/66/1062609966.db2.gz MZOPHQBSGMNMQL-OAHLLOKOSA-N 1 1 479.423 2.773 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cccc(N2CCOCC2)c1 ZINC001287184877 1062611092 /nfs/dbraw/zinc/61/10/92/1062611092.db2.gz VXKHFKOKORAZBF-UHFFFAOYSA-N 1 1 456.635 2.833 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cccc(N2CCOCC2)c1 ZINC001287184877 1062611114 /nfs/dbraw/zinc/61/11/14/1062611114.db2.gz VXKHFKOKORAZBF-UHFFFAOYSA-N 1 1 456.635 2.833 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001290691870 1062612617 /nfs/dbraw/zinc/61/26/17/1062612617.db2.gz IBMKGBLFIBRLEJ-UHFFFAOYSA-N 1 1 489.049 2.990 20 0 JFADMO CCCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001294901423 1062638249 /nfs/dbraw/zinc/63/82/49/1062638249.db2.gz WTYSPIDPZQSBIP-QFIPXVFZSA-N 1 1 470.618 2.767 20 0 JFADMO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290706213 1062640720 /nfs/dbraw/zinc/64/07/20/1062640720.db2.gz UGVGAQXVROBJTL-PGRDOPGGSA-N 1 1 456.591 2.977 20 0 JFADMO Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290708841 1062642917 /nfs/dbraw/zinc/64/29/17/1062642917.db2.gz KOKBVYYHEKMTGC-FQEVSTJZSA-N 1 1 450.628 2.659 20 0 JFADMO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287203384 1062647220 /nfs/dbraw/zinc/64/72/20/1062647220.db2.gz VMRBBJGTKMLCIA-SFHVURJKSA-N 1 1 463.570 2.503 20 0 JFADMO CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001287207185 1062652670 /nfs/dbraw/zinc/65/26/70/1062652670.db2.gz LRLBDLWMUGLVRG-UHFFFAOYSA-N 1 1 477.560 2.581 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001287207185 1062652675 /nfs/dbraw/zinc/65/26/75/1062652675.db2.gz LRLBDLWMUGLVRG-UHFFFAOYSA-N 1 1 477.560 2.581 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001287212778 1062668191 /nfs/dbraw/zinc/66/81/91/1062668191.db2.gz SQGSLIMJYZOIBT-SBUREZEXSA-N 1 1 486.608 2.939 20 0 JFADMO Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001290763009 1062678481 /nfs/dbraw/zinc/67/84/81/1062678481.db2.gz OEOBXNUXVKWLQX-LJQANCHMSA-N 1 1 450.509 2.540 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214667 1062679716 /nfs/dbraw/zinc/67/97/16/1062679716.db2.gz PBHFMDTVWFQFDP-IFMALSPDSA-N 1 1 453.635 2.669 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287215169 1062682942 /nfs/dbraw/zinc/68/29/42/1062682942.db2.gz YYFZWFWLRLKVHN-QFIPXVFZSA-N 1 1 472.609 2.740 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287215945 1062687133 /nfs/dbraw/zinc/68/71/33/1062687133.db2.gz GGERQAVFRUOBMR-QZTJIDSGSA-N 1 1 466.677 2.628 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287215944 1062687166 /nfs/dbraw/zinc/68/71/66/1062687166.db2.gz GGERQAVFRUOBMR-MSOLQXFVSA-N 1 1 466.677 2.628 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924569 1062693635 /nfs/dbraw/zinc/69/36/35/1062693635.db2.gz ISDRCHQXSZMTDZ-UYAOXDASSA-N 1 1 470.618 2.894 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001294924644 1062694513 /nfs/dbraw/zinc/69/45/13/1062694513.db2.gz KBNRUAXHXUHTSA-UHFFFAOYSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294924644 1062694539 /nfs/dbraw/zinc/69/45/39/1062694539.db2.gz KBNRUAXHXUHTSA-UHFFFAOYSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294924644 1062694552 /nfs/dbraw/zinc/69/45/52/1062694552.db2.gz KBNRUAXHXUHTSA-UHFFFAOYSA-N 1 1 486.661 2.994 20 0 JFADMO CC(C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287217406 1062697103 /nfs/dbraw/zinc/69/71/03/1062697103.db2.gz OYDOGLVFSJJVIH-UHFFFAOYSA-N 1 1 458.630 2.536 20 0 JFADMO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290793637 1062700551 /nfs/dbraw/zinc/70/05/51/1062700551.db2.gz JZCWWJHKSOJMGZ-SCTDSRPQSA-N 1 1 450.628 2.920 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287220420 1062704715 /nfs/dbraw/zinc/70/47/15/1062704715.db2.gz VZHFUZIZVPHNNX-ZWKOTPCHSA-N 1 1 458.573 2.975 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCCCN1CCOCC1 ZINC001287225186 1062713000 /nfs/dbraw/zinc/71/30/00/1062713000.db2.gz WSADIRSQQXBOAG-DHIUTWEWSA-N 1 1 461.699 2.509 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001290820089 1062714962 /nfs/dbraw/zinc/71/49/62/1062714962.db2.gz KTSIDSFYKWMYKN-RPWUZVMVSA-N 1 1 452.599 2.839 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001290820089 1062714992 /nfs/dbraw/zinc/71/49/92/1062714992.db2.gz KTSIDSFYKWMYKN-RPWUZVMVSA-N 1 1 452.599 2.839 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001290820089 1062715009 /nfs/dbraw/zinc/71/50/09/1062715009.db2.gz KTSIDSFYKWMYKN-RPWUZVMVSA-N 1 1 452.599 2.839 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001287231149 1062719742 /nfs/dbraw/zinc/71/97/42/1062719742.db2.gz DIVKLVNGRJPWDH-HKBOAZHASA-N 1 1 496.722 2.604 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290827537 1062720951 /nfs/dbraw/zinc/72/09/51/1062720951.db2.gz FUKMIVVHKZUJNT-QHCPKHFHSA-N 1 1 467.662 2.507 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287232177 1062722830 /nfs/dbraw/zinc/72/28/30/1062722830.db2.gz NPXQKTKHFCLGGU-WOJBJXKFSA-N 1 1 474.675 2.989 20 0 JFADMO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001290833023 1062725467 /nfs/dbraw/zinc/72/54/67/1062725467.db2.gz IAWHBDRIBOJXIO-WOJBJXKFSA-N 1 1 453.509 2.749 20 0 JFADMO Cc1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837735 1062728174 /nfs/dbraw/zinc/72/81/74/1062728174.db2.gz KMCSRVBFLNFABE-VQTJNVASSA-N 1 1 450.628 2.971 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841655 1062730508 /nfs/dbraw/zinc/73/05/08/1062730508.db2.gz QSTMOIKOKMZXQY-FPOVZHCZSA-N 1 1 452.555 2.941 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841656 1062730602 /nfs/dbraw/zinc/73/06/02/1062730602.db2.gz QSTMOIKOKMZXQY-PZJWPPBQSA-N 1 1 452.555 2.941 20 0 JFADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001290845211 1062731849 /nfs/dbraw/zinc/73/18/49/1062731849.db2.gz GIQXBPLZIBDLOJ-UHFFFAOYSA-N 1 1 450.509 2.788 20 0 JFADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001290845211 1062731868 /nfs/dbraw/zinc/73/18/68/1062731868.db2.gz GIQXBPLZIBDLOJ-UHFFFAOYSA-N 1 1 450.509 2.788 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294948450 1062734062 /nfs/dbraw/zinc/73/40/62/1062734062.db2.gz ZPAKUBPKEXVLBS-HXOBKFHXSA-N 1 1 461.632 2.751 20 0 JFADMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001290847884 1062734218 /nfs/dbraw/zinc/73/42/18/1062734218.db2.gz JAJWOCHADKXKJS-XMMPIXPASA-N 1 1 451.546 2.740 20 0 JFADMO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853016 1062738012 /nfs/dbraw/zinc/73/80/12/1062738012.db2.gz UKONINRUMSPEFS-JOCHJYFZSA-N 1 1 497.644 2.919 20 0 JFADMO CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287270730 1062744932 /nfs/dbraw/zinc/74/49/32/1062744932.db2.gz DELMTDFWIXWBHR-IBGZPJMESA-N 1 1 473.691 2.778 20 0 JFADMO CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287270730 1062744947 /nfs/dbraw/zinc/74/49/47/1062744947.db2.gz DELMTDFWIXWBHR-IBGZPJMESA-N 1 1 473.691 2.778 20 0 JFADMO CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287270730 1062744967 /nfs/dbraw/zinc/74/49/67/1062744967.db2.gz DELMTDFWIXWBHR-IBGZPJMESA-N 1 1 473.691 2.778 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290866959 1062749392 /nfs/dbraw/zinc/74/93/92/1062749392.db2.gz GKYVQAMDDCXTBJ-UHFFFAOYSA-N 1 1 467.662 2.632 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290868454 1062751590 /nfs/dbraw/zinc/75/15/90/1062751590.db2.gz YIJFJKHYONVYGR-VSKRKVRLSA-N 1 1 473.710 2.724 20 0 JFADMO CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)c1ccsc1 ZINC001290868630 1062752118 /nfs/dbraw/zinc/75/21/18/1062752118.db2.gz BYBUINFMWKPZCB-HXUWFJFHSA-N 1 1 456.568 2.756 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290869613 1062753830 /nfs/dbraw/zinc/75/38/30/1062753830.db2.gz KFFZOYKJCKIXFJ-FCEUIQTBSA-N 1 1 459.683 2.524 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290869616 1062753965 /nfs/dbraw/zinc/75/39/65/1062753965.db2.gz KFFZOYKJCKIXFJ-NNWRFLSQSA-N 1 1 459.683 2.524 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875913 1062760202 /nfs/dbraw/zinc/76/02/02/1062760202.db2.gz HJGUADRPUYBCCU-VNXZQDSDSA-N 1 1 462.683 2.802 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC001287287449 1062761652 /nfs/dbraw/zinc/76/16/52/1062761652.db2.gz MUPMGKRUKRRLPG-ACRUOGEOSA-N 1 1 492.665 2.932 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877423 1062762638 /nfs/dbraw/zinc/76/26/38/1062762638.db2.gz WBPYEOGDKMFRGC-IBGZPJMESA-N 1 1 461.680 2.620 20 0 JFADMO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001290886869 1062765581 /nfs/dbraw/zinc/76/55/81/1062765581.db2.gz CPQJUUJFZGJAAA-PKTZIBPZSA-N 1 1 484.645 2.881 20 0 JFADMO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001290886868 1062765721 /nfs/dbraw/zinc/76/57/21/1062765721.db2.gz CPQJUUJFZGJAAA-GOTSBHOMSA-N 1 1 484.645 2.881 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)cc2)C1 ZINC001290891792 1062769049 /nfs/dbraw/zinc/76/90/49/1062769049.db2.gz PCZAZOFWUPKXPO-FQEVSTJZSA-N 1 1 451.567 2.918 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001287298452 1062770615 /nfs/dbraw/zinc/77/06/15/1062770615.db2.gz BXLBATFBNGEDMN-DXBBTUNJSA-N 1 1 463.667 2.905 20 0 JFADMO CCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294985772 1062772003 /nfs/dbraw/zinc/77/20/03/1062772003.db2.gz WKAZOBJTKBCZNY-PZJWPPBQSA-N 1 1 458.607 2.561 20 0 JFADMO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001290902886 1062777782 /nfs/dbraw/zinc/77/77/82/1062777782.db2.gz QKEWIYFYQZPYGT-UYAOXDASSA-N 1 1 474.654 2.507 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287310141 1062782872 /nfs/dbraw/zinc/78/28/72/1062782872.db2.gz WSTRHNZOIKLBPZ-NZQKXSOJSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287310141 1062782893 /nfs/dbraw/zinc/78/28/93/1062782893.db2.gz WSTRHNZOIKLBPZ-NZQKXSOJSA-N 1 1 456.635 2.872 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)cc2)CC1 ZINC001290908786 1062784002 /nfs/dbraw/zinc/78/40/02/1062784002.db2.gz SWNLRQJHDOYWMK-UHFFFAOYSA-N 1 1 450.583 2.780 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001290910998 1062786852 /nfs/dbraw/zinc/78/68/52/1062786852.db2.gz KUSDSGQCKYTOIE-LEWJYISDSA-N 1 1 458.603 2.774 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001295001417 1062787293 /nfs/dbraw/zinc/78/72/93/1062787293.db2.gz ABCZALMTAQVMTP-WOJBJXKFSA-N 1 1 455.669 2.696 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCOCC2)CC1 ZINC001295005759 1062792780 /nfs/dbraw/zinc/79/27/80/1062792780.db2.gz HVVCGVAYKAALBH-JOCHJYFZSA-N 1 1 459.639 2.648 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920190 1062795275 /nfs/dbraw/zinc/79/52/75/1062795275.db2.gz FJMHNNPRPGABKT-ZRBLBEILSA-N 1 1 456.631 2.943 20 0 JFADMO CCc1c(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)nnn1Cc1ccc(F)cc1 ZINC001290920333 1062795942 /nfs/dbraw/zinc/79/59/42/1062795942.db2.gz HOVQHJISTXWYMI-UHFFFAOYSA-N 1 1 450.562 2.705 20 0 JFADMO CCCOCc1ccccc1Cn1c(C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295009003 1062797330 /nfs/dbraw/zinc/79/73/30/1062797330.db2.gz RXZMPVODLNUPFJ-DVECYGJZSA-N 1 1 454.619 2.550 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295009576 1062797948 /nfs/dbraw/zinc/79/79/48/1062797948.db2.gz XTMWMEJVLULNIX-CJFMBICVSA-N 1 1 473.618 2.718 20 0 JFADMO CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295014712 1062804944 /nfs/dbraw/zinc/80/49/44/1062804944.db2.gz KNGDKMUKBKRUET-FQEVSTJZSA-N 1 1 454.619 2.906 20 0 JFADMO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C2)n1 ZINC001290943788 1062816981 /nfs/dbraw/zinc/81/69/81/1062816981.db2.gz LTDHTKFQULABBW-GOSISDBHSA-N 1 1 458.611 2.614 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295018518 1062818361 /nfs/dbraw/zinc/81/83/61/1062818361.db2.gz YQWGYNYPVPTDEO-UHFFFAOYSA-N 1 1 476.622 2.644 20 0 JFADMO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001290946781 1062823178 /nfs/dbraw/zinc/82/31/78/1062823178.db2.gz WJABPZCGXKSQOI-UHFFFAOYSA-N 1 1 484.580 2.763 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287352695 1062824492 /nfs/dbraw/zinc/82/44/92/1062824492.db2.gz PRCFTJFKCCWRNJ-YADHBBJMSA-N 1 1 470.666 2.873 20 0 JFADMO Cc1nn(CC(F)(F)F)cc1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001290955074 1062830844 /nfs/dbraw/zinc/83/08/44/1062830844.db2.gz SXXARLLEYCUUOQ-UHFFFAOYSA-N 1 1 457.428 2.806 20 0 JFADMO CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287373075 1062832591 /nfs/dbraw/zinc/83/25/91/1062832591.db2.gz VAXRZLSSWIUKFA-NHCUHLMSSA-N 1 1 484.645 2.696 20 0 JFADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295040526 1062838467 /nfs/dbraw/zinc/83/84/67/1062838467.db2.gz TYAYCIGNBJMRBB-RUZDIDTESA-N 1 1 485.633 2.633 20 0 JFADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1CCNS(C)(=O)=O ZINC001287410657 1062849852 /nfs/dbraw/zinc/84/98/52/1062849852.db2.gz HOQLFGALQVNMJW-IBGZPJMESA-N 1 1 454.685 2.507 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001287413832 1062852806 /nfs/dbraw/zinc/85/28/06/1062852806.db2.gz OVKXDPMJRQAFAV-FDFHNCONSA-N 1 1 462.683 2.523 20 0 JFADMO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001287414691 1062854458 /nfs/dbraw/zinc/85/44/58/1062854458.db2.gz SCRFTCQLIZRETO-HXUWFJFHSA-N 1 1 468.712 2.849 20 0 JFADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001287418750 1062857462 /nfs/dbraw/zinc/85/74/62/1062857462.db2.gz VOASEXLLLKSAMH-VWLOTQADSA-N 1 1 458.651 2.972 20 0 JFADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001287419039 1062857865 /nfs/dbraw/zinc/85/78/65/1062857865.db2.gz XMLVCGLZWWXILO-UHFFFAOYSA-N 1 1 473.710 2.920 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001290976963 1062859248 /nfs/dbraw/zinc/85/92/48/1062859248.db2.gz WNBPOHUITAVBIX-MRXNPFEDSA-N 1 1 471.968 2.932 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001295057467 1062864350 /nfs/dbraw/zinc/86/43/50/1062864350.db2.gz BSVCGGLICSZWEX-MAUKXSAKSA-N 1 1 461.408 2.859 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990731 1062884555 /nfs/dbraw/zinc/88/45/55/1062884555.db2.gz VVPGVJOJBMBOAP-ZDQHKECQSA-N 1 1 476.666 2.557 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001295066084 1062884592 /nfs/dbraw/zinc/88/45/92/1062884592.db2.gz OFRQNIXQBVKYQI-KRWDZBQOSA-N 1 1 491.434 2.869 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001290997435 1062889334 /nfs/dbraw/zinc/88/93/34/1062889334.db2.gz LVJSTWJMCBMKOV-NSHGMRRFSA-N 1 1 460.648 2.720 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001290997439 1062890068 /nfs/dbraw/zinc/89/00/68/1062890068.db2.gz LVJSTWJMCBMKOV-WSTZPKSXSA-N 1 1 460.648 2.720 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291001493 1062896883 /nfs/dbraw/zinc/89/68/83/1062896883.db2.gz REUAIJDSZCFDID-KSZLIROESA-N 1 1 489.690 2.726 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287461942 1062901102 /nfs/dbraw/zinc/90/11/02/1062901102.db2.gz GLISKVJIJFXPPV-BGYRXZFFSA-N 1 1 458.607 2.531 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCOc1ccccc1 ZINC001287462203 1062901195 /nfs/dbraw/zinc/90/11/95/1062901195.db2.gz JUEBDHYZUKLICH-JOCHJYFZSA-N 1 1 454.619 2.689 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009427 1062906329 /nfs/dbraw/zinc/90/63/29/1062906329.db2.gz FYMXJKSJISQMIF-HBMCJLEFSA-N 1 1 496.722 2.796 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011014 1062910325 /nfs/dbraw/zinc/91/03/25/1062910325.db2.gz DPYQTAKIIHEGRT-MTHXSQLBSA-N 1 1 472.725 2.587 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011243 1062911788 /nfs/dbraw/zinc/91/17/88/1062911788.db2.gz HQILVIULNUOABZ-HBMCJLEFSA-N 1 1 475.682 2.525 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)C1 ZINC001291011776 1062913014 /nfs/dbraw/zinc/91/30/14/1062913014.db2.gz PNHAWTCYSGGFDB-KDURUIRLSA-N 1 1 492.715 2.596 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001287465541 1062912972 /nfs/dbraw/zinc/91/29/72/1062912972.db2.gz MRKCOOQXYGEFQL-YADHBBJMSA-N 1 1 473.710 2.778 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291011876 1062914354 /nfs/dbraw/zinc/91/43/54/1062914354.db2.gz QWNWQWXIKIFEFE-RZUBCFFCSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011997 1062915203 /nfs/dbraw/zinc/91/52/03/1062915203.db2.gz SJXDOIGDMKJZDA-DYQZNNLLSA-N 1 1 496.722 2.509 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012121 1062915683 /nfs/dbraw/zinc/91/56/83/1062915683.db2.gz UUVHJJCBJZAKSA-YHDCXSKOSA-N 1 1 452.669 2.635 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291013210 1062919466 /nfs/dbraw/zinc/91/94/66/1062919466.db2.gz KBZMUUVUGPTGBL-KDURUIRLSA-N 1 1 487.674 2.780 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287471674 1062920288 /nfs/dbraw/zinc/92/02/88/1062920288.db2.gz NHHHKLALCJUSLL-HXUWFJFHSA-N 1 1 462.042 2.698 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013614 1062921129 /nfs/dbraw/zinc/92/11/29/1062921129.db2.gz PJWDCULWRZTYTO-ZGXWSNOMSA-N 1 1 455.669 2.757 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001291013784 1062921589 /nfs/dbraw/zinc/92/15/89/1062921589.db2.gz RQYQKPXGCJYZQW-QGLKVJOYSA-N 1 1 469.696 2.798 20 0 JFADMO CCN(C)C(=O)Cn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085489 1062922354 /nfs/dbraw/zinc/92/23/54/1062922354.db2.gz XVCDXMSTSGSRPY-NVQXNPDNSA-N 1 1 484.645 2.508 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001287472222 1062922736 /nfs/dbraw/zinc/92/27/36/1062922736.db2.gz VHETUSDGGSRDSS-OAQYLSRUSA-N 1 1 482.677 2.952 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291014075 1062922494 /nfs/dbraw/zinc/92/24/94/1062922494.db2.gz XGMHPNKZGDJIRR-KDURUIRLSA-N 1 1 462.602 2.838 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291014145 1062923036 /nfs/dbraw/zinc/92/30/36/1062923036.db2.gz XZWQJJNUFSGDHC-HSALFYBXSA-N 1 1 454.610 2.927 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001291015706 1062926866 /nfs/dbraw/zinc/92/68/66/1062926866.db2.gz VGXYAOYQISZPOH-WSTZPKSXSA-N 1 1 465.689 2.922 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001291018435 1062932201 /nfs/dbraw/zinc/93/22/01/1062932201.db2.gz GIXMLXSBEABKNE-KRXUUXHPSA-N 1 1 454.619 2.783 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001295108646 1062933136 /nfs/dbraw/zinc/93/31/36/1062933136.db2.gz QNCWFKLYOVECQC-HSZRJFAPSA-N 1 1 456.612 2.678 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001295108646 1062933157 /nfs/dbraw/zinc/93/31/57/1062933157.db2.gz QNCWFKLYOVECQC-HSZRJFAPSA-N 1 1 456.612 2.678 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001287477447 1062934666 /nfs/dbraw/zinc/93/46/66/1062934666.db2.gz YKVYORLUSKILGD-UHFFFAOYSA-N 1 1 481.689 2.743 20 0 JFADMO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295114076 1062935292 /nfs/dbraw/zinc/93/52/92/1062935292.db2.gz SZDJMNIPDPWPKW-CEXWTWQISA-N 1 1 480.654 2.930 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287481185 1062936167 /nfs/dbraw/zinc/93/61/67/1062936167.db2.gz CMQPBYWKNZYYIF-LJQANCHMSA-N 1 1 473.632 2.823 20 0 JFADMO CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001295118904 1062936932 /nfs/dbraw/zinc/93/69/32/1062936932.db2.gz JEJQGGQPQXJXTQ-UHFFFAOYSA-N 1 1 471.719 2.926 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC2CCOCC2)c1 ZINC001295126016 1062939993 /nfs/dbraw/zinc/93/99/93/1062939993.db2.gz BXQCWAHJKOZAGM-UHFFFAOYSA-N 1 1 454.619 2.763 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001295125999 1062940104 /nfs/dbraw/zinc/94/01/04/1062940104.db2.gz BKQGHUVEPMBIDT-UHFFFAOYSA-N 1 1 454.619 2.731 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001287485716 1062940767 /nfs/dbraw/zinc/94/07/67/1062940767.db2.gz ATZAHZYJAXBPKT-FYYLOGMGSA-N 1 1 488.702 2.859 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(=O)OC)C2)c1 ZINC001295126899 1062944177 /nfs/dbraw/zinc/94/41/77/1062944177.db2.gz KKEBCZGCWZBVMX-QFIPXVFZSA-N 1 1 465.602 2.639 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)c1 ZINC001295126943 1062944275 /nfs/dbraw/zinc/94/42/75/1062944275.db2.gz JZNGIGGGILRFME-WIYYLYMNSA-N 1 1 486.642 2.975 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001291023078 1062944500 /nfs/dbraw/zinc/94/45/00/1062944500.db2.gz PIEZIMNQBJIDIP-FSSWDIPSSA-N 1 1 457.619 2.779 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC001295128041 1062948223 /nfs/dbraw/zinc/94/82/23/1062948223.db2.gz ZVTIECQJRCKVHC-AREMUKBSSA-N 1 1 484.645 2.691 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287497222 1062950700 /nfs/dbraw/zinc/95/07/00/1062950700.db2.gz MYINVQANDMXEGT-SFTDATJTSA-N 1 1 494.681 2.707 20 0 JFADMO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001287502543 1062952821 /nfs/dbraw/zinc/95/28/21/1062952821.db2.gz AQNNXTFFMZXENQ-FQEVSTJZSA-N 1 1 457.596 2.535 20 0 JFADMO CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287505982 1062954035 /nfs/dbraw/zinc/95/40/35/1062954035.db2.gz PQJVIZJKWXZGEK-RLSLOFABSA-N 1 1 476.666 2.937 20 0 JFADMO CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287506462 1062954934 /nfs/dbraw/zinc/95/49/34/1062954934.db2.gz SNZCOVJKXUBZHY-ZWKOTPCHSA-N 1 1 464.565 2.940 20 0 JFADMO C[C@@H]1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291029637 1062957344 /nfs/dbraw/zinc/95/73/44/1062957344.db2.gz BLWOUIMOPMIRHF-YSTOQKLRSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291029637 1062957367 /nfs/dbraw/zinc/95/73/67/1062957367.db2.gz BLWOUIMOPMIRHF-YSTOQKLRSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291033903 1062965580 /nfs/dbraw/zinc/96/55/80/1062965580.db2.gz IRHFYSGIDOQKPV-VAMGGRTRSA-N 1 1 492.665 2.790 20 0 JFADMO C[C@@H]1C[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291033903 1062965605 /nfs/dbraw/zinc/96/56/05/1062965605.db2.gz IRHFYSGIDOQKPV-VAMGGRTRSA-N 1 1 492.665 2.790 20 0 JFADMO C[C@@H]1C[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291033900 1062965858 /nfs/dbraw/zinc/96/58/58/1062965858.db2.gz IRHFYSGIDOQKPV-AABGKKOBSA-N 1 1 492.665 2.790 20 0 JFADMO C[C@@H]1C[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291033900 1062965866 /nfs/dbraw/zinc/96/58/66/1062965866.db2.gz IRHFYSGIDOQKPV-AABGKKOBSA-N 1 1 492.665 2.790 20 0 JFADMO CC(C)CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001287538757 1062973887 /nfs/dbraw/zinc/97/38/87/1062973887.db2.gz YGXZHJUZCLJVOJ-AREMUKBSSA-N 1 1 484.693 2.917 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051104 1062979986 /nfs/dbraw/zinc/97/99/86/1062979986.db2.gz ACSRBTWCMNUPMZ-WTEVXDJOSA-N 1 1 462.683 2.574 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001291051114 1062980172 /nfs/dbraw/zinc/98/01/72/1062980172.db2.gz AFSAYOGSYQHECF-BGYRXZFFSA-N 1 1 461.699 2.733 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291052135 1062983280 /nfs/dbraw/zinc/98/32/80/1062983280.db2.gz OLSWIACTKIHROF-OYRHEFFESA-N 1 1 482.677 2.640 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291052323 1062984113 /nfs/dbraw/zinc/98/41/13/1062984113.db2.gz RNQPQXWFWKIZOG-SZPZYZBQSA-N 1 1 496.704 2.564 20 0 JFADMO CC(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287567543 1062988854 /nfs/dbraw/zinc/98/88/54/1062988854.db2.gz RDGBFLVQOGGQCY-GOTSBHOMSA-N 1 1 462.683 2.840 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287583497 1062995425 /nfs/dbraw/zinc/99/54/25/1062995425.db2.gz SLPQHTNVJVTZPG-XZOQPEGZSA-N 1 1 489.686 2.954 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287583497 1062995445 /nfs/dbraw/zinc/99/54/45/1062995445.db2.gz SLPQHTNVJVTZPG-XZOQPEGZSA-N 1 1 489.686 2.954 20 0 JFADMO CC1CCC([NH+]2CCN(c3nnc(COc4ccccc4F)n3CCS(C)(=O)=O)CC2)CC1 ZINC001291062248 1062999805 /nfs/dbraw/zinc/99/98/05/1062999805.db2.gz PSTIHOFVHVJPAV-UHFFFAOYSA-N 1 1 479.622 2.742 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295180342 1063002481 /nfs/dbraw/zinc/00/24/81/1063002481.db2.gz JAVOETDHAQEMRN-IFMALSPDSA-N 1 1 468.627 2.965 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287642713 1063019249 /nfs/dbraw/zinc/01/92/49/1063019249.db2.gz AXCIFPUFNMRNLR-IFMALSPDSA-N 1 1 476.666 2.762 20 0 JFADMO C[C@H](Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001291077041 1063027857 /nfs/dbraw/zinc/02/78/57/1063027857.db2.gz WRJYHKBIDNWRDD-NJDAHSKKSA-N 1 1 473.710 2.875 20 0 JFADMO C[C@@H](Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001291077043 1063027969 /nfs/dbraw/zinc/02/79/69/1063027969.db2.gz WRJYHKBIDNWRDD-QHAWAJNXSA-N 1 1 473.710 2.875 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC001295215318 1063028383 /nfs/dbraw/zinc/02/83/83/1063028383.db2.gz CXPLBKBFPRAXRG-IRLDBZIGSA-N 1 1 496.722 2.748 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCC1 ZINC001295215325 1063028481 /nfs/dbraw/zinc/02/84/81/1063028481.db2.gz CXPLBKBFPRAXRG-UNMCSNQZSA-N 1 1 496.722 2.748 20 0 JFADMO CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295216162 1063030185 /nfs/dbraw/zinc/03/01/85/1063030185.db2.gz HCQAKIZUEJSADT-WIYYLYMNSA-N 1 1 477.631 2.534 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CCCCC1 ZINC001295216189 1063030555 /nfs/dbraw/zinc/03/05/55/1063030555.db2.gz HFHRQUQYNOQXIA-TZIWHRDSSA-N 1 1 482.695 2.502 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001295216965 1063032046 /nfs/dbraw/zinc/03/20/46/1063032046.db2.gz KOCZGGXXFPKRGQ-NRFANRHFSA-N 1 1 482.695 2.644 20 0 JFADMO C[C@H]1CCC[C@@]1(O)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291080746 1063036882 /nfs/dbraw/zinc/03/68/82/1063036882.db2.gz SVHGFNLXNZYAFW-NBGIEHNGSA-N 1 1 456.635 2.610 20 0 JFADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC001287692150 1063039512 /nfs/dbraw/zinc/03/95/12/1063039512.db2.gz PEBANTSWRDKOSI-JOCHJYFZSA-N 1 1 487.693 2.862 20 0 JFADMO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220611 1063040436 /nfs/dbraw/zinc/04/04/36/1063040436.db2.gz PUIJLMPGVKAYQD-YADHBBJMSA-N 1 1 475.659 2.706 20 0 JFADMO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220611 1063040455 /nfs/dbraw/zinc/04/04/55/1063040455.db2.gz PUIJLMPGVKAYQD-YADHBBJMSA-N 1 1 475.659 2.706 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695028 1063040616 /nfs/dbraw/zinc/04/06/16/1063040616.db2.gz VCMKSAPGTBGANV-ICSRJNTNSA-N 1 1 458.580 2.506 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693574 1063040825 /nfs/dbraw/zinc/04/08/25/1063040825.db2.gz MXKJLYVKWQJUDE-WBVHZDCISA-N 1 1 455.360 2.923 20 0 JFADMO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC001287711410 1063045867 /nfs/dbraw/zinc/04/58/67/1063045867.db2.gz IWUXJICTGKNBAX-HSZRJFAPSA-N 1 1 460.648 2.741 20 0 JFADMO CCN(c1nnc(Cc2csc(C)n2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295234966 1063053722 /nfs/dbraw/zinc/05/37/22/1063053722.db2.gz IYMMWKHLNJKXKL-IBGZPJMESA-N 1 1 477.660 2.633 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096890 1063059170 /nfs/dbraw/zinc/05/91/70/1063059170.db2.gz MLOIGNVNOVBHRR-MJGOQNOKSA-N 1 1 468.593 2.992 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001291097260 1063059599 /nfs/dbraw/zinc/05/95/99/1063059599.db2.gz RYMKTOSLSWFSRG-GOSISDBHSA-N 1 1 496.081 2.730 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097315 1063060384 /nfs/dbraw/zinc/06/03/84/1063060384.db2.gz SRBDZSJFSSVSQD-QZTJIDSGSA-N 1 1 466.677 2.928 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001287738226 1063061039 /nfs/dbraw/zinc/06/10/39/1063061039.db2.gz NUDZPLCVPNFGAH-VQTJNVASSA-N 1 1 475.659 2.942 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCCC3)C2)C1 ZINC001287738039 1063061080 /nfs/dbraw/zinc/06/10/80/1063061080.db2.gz MTNAXVAKRLWRQX-NHCUHLMSSA-N 1 1 496.722 2.796 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291098301 1063061619 /nfs/dbraw/zinc/06/16/19/1063061619.db2.gz LKNNWXXGWRKQCI-HXUWFJFHSA-N 1 1 476.666 2.890 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001291098969 1063063699 /nfs/dbraw/zinc/06/36/99/1063063699.db2.gz YVNKULSCCVBUBR-LJQANCHMSA-N 1 1 479.622 2.886 20 0 JFADMO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1=O ZINC001287739821 1063064076 /nfs/dbraw/zinc/06/40/76/1063064076.db2.gz BSWYBXQHPCXRFZ-NRFANRHFSA-N 1 1 497.688 2.998 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291099200 1063064578 /nfs/dbraw/zinc/06/45/78/1063064578.db2.gz CZGLAJPJGOSDOH-AZUAARDMSA-N 1 1 489.665 2.987 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291099352 1063065498 /nfs/dbraw/zinc/06/54/98/1063065498.db2.gz FNJCEFMSDCRSFF-KRWDZBQOSA-N 1 1 473.622 2.621 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001291100291 1063067940 /nfs/dbraw/zinc/06/79/40/1063067940.db2.gz XIXNNLFNAIRCMS-AQNXPRMDSA-N 1 1 462.664 2.786 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291100506 1063068249 /nfs/dbraw/zinc/06/82/49/1063068249.db2.gz BPPWYVYSYUHHQJ-IBGZPJMESA-N 1 1 496.660 2.918 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100948 1063069914 /nfs/dbraw/zinc/06/99/14/1063069914.db2.gz KOIGLPZRWCMANA-MIOZMULLSA-N 1 1 476.666 2.700 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100949 1063069989 /nfs/dbraw/zinc/06/99/89/1063069989.db2.gz KOIGLPZRWCMANA-XZWCOCNFSA-N 1 1 476.666 2.700 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101318 1063071735 /nfs/dbraw/zinc/07/17/35/1063071735.db2.gz QQNXZSMKLWKPGG-IBGZPJMESA-N 1 1 490.697 2.557 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291102151 1063075000 /nfs/dbraw/zinc/07/50/00/1063075000.db2.gz IDLBIXFPOUQRKU-PMPSAXMXSA-N 1 1 458.529 2.507 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291102150 1063075414 /nfs/dbraw/zinc/07/54/14/1063075414.db2.gz IDLBIXFPOUQRKU-OWCLPIDISA-N 1 1 458.529 2.507 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102165 1063075458 /nfs/dbraw/zinc/07/54/58/1063075458.db2.gz INKVEDPQXJWRSY-IRLDBZIGSA-N 1 1 489.686 2.690 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291102265 1063076809 /nfs/dbraw/zinc/07/68/09/1063076809.db2.gz JYIVCZLBXFJBKR-NHCUHLMSSA-N 1 1 489.709 2.534 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001291102294 1063076888 /nfs/dbraw/zinc/07/68/88/1063076888.db2.gz KOGGTABDKZANKI-INIZCTEOSA-N 1 1 474.564 2.739 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295260418 1063077503 /nfs/dbraw/zinc/07/75/03/1063077503.db2.gz FICWPHHLVBYQFH-PCCBWWKXSA-N 1 1 461.632 2.754 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291102414 1063077778 /nfs/dbraw/zinc/07/77/78/1063077778.db2.gz MXCDBLMYJSNHJY-GOSISDBHSA-N 1 1 466.696 2.916 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001291102621 1063078161 /nfs/dbraw/zinc/07/81/61/1063078161.db2.gz PYHYMUGMSHJEQS-LJQANCHMSA-N 1 1 470.666 2.932 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001291102524 1063078528 /nfs/dbraw/zinc/07/85/28/1063078528.db2.gz OQPQDLIMSCKOPH-FGTMMUONSA-N 1 1 485.599 2.813 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103004 1063079415 /nfs/dbraw/zinc/07/94/15/1063079415.db2.gz WTIDFDHMDDPUMW-VQTJNVASSA-N 1 1 480.723 2.611 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103369 1063080826 /nfs/dbraw/zinc/08/08/26/1063080826.db2.gz CQRBNYHWFCGWSE-UXHICEINSA-N 1 1 473.691 2.920 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001287758450 1063084086 /nfs/dbraw/zinc/08/40/86/1063084086.db2.gz BZRULEBXXHSLHB-IBGZPJMESA-N 1 1 475.037 2.750 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105067 1063085748 /nfs/dbraw/zinc/08/57/48/1063085748.db2.gz DKTAURSSVGMPTQ-ZACQAIPSSA-N 1 1 492.466 2.868 20 0 JFADMO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291105248 1063086493 /nfs/dbraw/zinc/08/64/93/1063086493.db2.gz GXKHKZXWVDGHHP-CVEARBPZSA-N 1 1 455.028 2.595 20 0 JFADMO CC(C)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291105885 1063089370 /nfs/dbraw/zinc/08/93/70/1063089370.db2.gz PAATWXGUDQNPOF-ZRNYENFQSA-N 1 1 454.685 2.881 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106002 1063090684 /nfs/dbraw/zinc/09/06/84/1063090684.db2.gz QNSFJVLVNLYVCK-LRAJWGHMSA-N 1 1 478.439 2.858 20 0 JFADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106097 1063091614 /nfs/dbraw/zinc/09/16/14/1063091614.db2.gz RLKWZWQDKDBGPF-WRQOLXDDSA-N 1 1 480.601 2.643 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106124 1063092078 /nfs/dbraw/zinc/09/20/78/1063092078.db2.gz RXTLMEZOUMNVTG-SJBKTWHCSA-N 1 1 453.635 2.922 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106189 1063092136 /nfs/dbraw/zinc/09/21/36/1063092136.db2.gz SQYOZMDAHXRSGS-UJMXGEILSA-N 1 1 489.665 2.699 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291107073 1063094701 /nfs/dbraw/zinc/09/47/01/1063094701.db2.gz FUXDFNBTQGKHSK-ZWKOTPCHSA-N 1 1 467.611 2.597 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291107149 1063095293 /nfs/dbraw/zinc/09/52/93/1063095293.db2.gz GMBDTUJTJJSWCL-SFTDATJTSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291107076 1063095725 /nfs/dbraw/zinc/09/57/25/1063095725.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 1 1 469.678 2.931 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107546 1063096430 /nfs/dbraw/zinc/09/64/30/1063096430.db2.gz KELRCQSLSTXHBV-GGUMNFRJSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107883 1063098032 /nfs/dbraw/zinc/09/80/32/1063098032.db2.gz NRHXHWVIKRRMEI-GUDVDZBRSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108276 1063098742 /nfs/dbraw/zinc/09/87/42/1063098742.db2.gz SWECNPKKSPDGQL-UJWQCDCRSA-N 1 1 455.694 2.631 20 0 JFADMO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1=O ZINC001287778238 1063100926 /nfs/dbraw/zinc/10/09/26/1063100926.db2.gz OIRRFYSDIOKMTI-RTWAWAEBSA-N 1 1 487.693 2.604 20 0 JFADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108547 1063101286 /nfs/dbraw/zinc/10/12/86/1063101286.db2.gz XFLHNIRAVGEQCQ-FDGPYGQJSA-N 1 1 481.707 2.942 20 0 JFADMO C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291108567 1063101334 /nfs/dbraw/zinc/10/13/34/1063101334.db2.gz XTZWNZUZMHPSCO-UXHICEINSA-N 1 1 487.674 2.508 20 0 JFADMO C[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001291109465 1063104312 /nfs/dbraw/zinc/10/43/12/1063104312.db2.gz MQKXCVHGXYBEFL-UXHICEINSA-N 1 1 455.607 2.789 20 0 JFADMO C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001291120765 1063132161 /nfs/dbraw/zinc/13/21/61/1063132161.db2.gz JHIZCGJDGDVGGK-UNMCSNQZSA-N 1 1 453.635 2.833 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295291388 1063135822 /nfs/dbraw/zinc/13/58/22/1063135822.db2.gz CAODSWVFFVBTPG-DNQXCXABSA-N 1 1 498.672 2.739 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123020 1063136100 /nfs/dbraw/zinc/13/61/00/1063136100.db2.gz CLYHVOYJPJTCMD-MHTWAQMVSA-N 1 1 482.695 2.548 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123626 1063139260 /nfs/dbraw/zinc/13/92/60/1063139260.db2.gz OBASVNNOPHZHPN-NRFANRHFSA-N 1 1 487.693 2.910 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123686 1063139401 /nfs/dbraw/zinc/13/94/01/1063139401.db2.gz OZEAHKMUXQILBR-CJFMBICVSA-N 1 1 476.666 2.703 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123750 1063140372 /nfs/dbraw/zinc/14/03/72/1063140372.db2.gz QCHJXAXGTBSABO-HSALFYBXSA-N 1 1 484.711 2.652 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123837 1063140484 /nfs/dbraw/zinc/14/04/84/1063140484.db2.gz RLBXSODYSKXKJC-OAQYLSRUSA-N 1 1 483.661 2.961 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001291124209 1063141421 /nfs/dbraw/zinc/14/14/21/1063141421.db2.gz ZLPZNMSQVBIALJ-FVJVTNMWSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291124262 1063142581 /nfs/dbraw/zinc/14/25/81/1063142581.db2.gz ACGGRLYBLVAONX-FQEVSTJZSA-N 1 1 474.675 2.738 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC001291125041 1063146625 /nfs/dbraw/zinc/14/66/25/1063146625.db2.gz NXIYYAXLNBGLGZ-HXUWFJFHSA-N 1 1 470.666 2.966 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(N3CCC(N(C)S(C)(=O)=O)CC3)nnc2C(C)(C)C)C1 ZINC001291125943 1063152192 /nfs/dbraw/zinc/15/21/92/1063152192.db2.gz DKSTVAHYQRRJKU-LJQANCHMSA-N 1 1 468.712 2.948 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291126966 1063159167 /nfs/dbraw/zinc/15/91/67/1063159167.db2.gz WMARPYUGEOVDFK-ROUUACIJSA-N 1 1 467.611 2.770 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126966 1063159184 /nfs/dbraw/zinc/15/91/84/1063159184.db2.gz WMARPYUGEOVDFK-ROUUACIJSA-N 1 1 467.611 2.770 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127113 1063160275 /nfs/dbraw/zinc/16/02/75/1063160275.db2.gz YXALBVUYHAZGNZ-IERDGZPVSA-N 1 1 474.572 2.678 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127166 1063161196 /nfs/dbraw/zinc/16/11/96/1063161196.db2.gz ZRWIRLGYSNGOJR-LXZJYRNTSA-N 1 1 496.703 2.648 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291129142 1063168504 /nfs/dbraw/zinc/16/85/04/1063168504.db2.gz JJNABUGZRLCPCA-IRXDYDNUSA-N 1 1 467.586 2.502 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291129140 1063168554 /nfs/dbraw/zinc/16/85/54/1063168554.db2.gz JJNABUGZRLCPCA-DLBZAZTESA-N 1 1 467.586 2.502 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291129066 1063168741 /nfs/dbraw/zinc/16/87/41/1063168741.db2.gz IECDEOIJLATGAM-KRWDZBQOSA-N 1 1 481.613 2.892 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295306347 1063170319 /nfs/dbraw/zinc/17/03/19/1063170319.db2.gz UAZLCTQCXWJDHV-NRFANRHFSA-N 1 1 487.693 2.863 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001291129352 1063170935 /nfs/dbraw/zinc/17/09/35/1063170935.db2.gz MRPVDLLXRKCNGK-GMAHTHKFSA-N 1 1 467.662 2.984 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129493 1063172115 /nfs/dbraw/zinc/17/21/15/1063172115.db2.gz OYLGKPOMRYUUNA-UXHICEINSA-N 1 1 472.659 2.882 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCCCO)C1 ZINC001291129443 1063172368 /nfs/dbraw/zinc/17/23/68/1063172368.db2.gz OECZMIHRLAIZAH-SFTDATJTSA-N 1 1 494.681 2.917 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC001291129854 1063174610 /nfs/dbraw/zinc/17/46/10/1063174610.db2.gz WMITZUCDDUBZCN-CEXWTWQISA-N 1 1 481.638 2.986 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291129955 1063175382 /nfs/dbraw/zinc/17/53/82/1063175382.db2.gz XUHGJXIDSACNNN-QFIPXVFZSA-N 1 1 469.678 2.790 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291130762 1063177715 /nfs/dbraw/zinc/17/77/15/1063177715.db2.gz OQRSFBOAWLIGFE-SLSDLSHTSA-N 1 1 479.666 2.681 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291135513 1063187992 /nfs/dbraw/zinc/18/79/92/1063187992.db2.gz CWSJXBRCPGUUGA-RTBURBONSA-N 1 1 498.632 2.855 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001291136248 1063192127 /nfs/dbraw/zinc/19/21/27/1063192127.db2.gz SZEOATIPCZRQTG-IRXDYDNUSA-N 1 1 458.529 2.546 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291136564 1063193399 /nfs/dbraw/zinc/19/33/99/1063193399.db2.gz ZLMSKSNQRHWTNG-MSOLQXFVSA-N 1 1 484.605 2.513 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@@H]1C ZINC001291137378 1063195623 /nfs/dbraw/zinc/19/56/23/1063195623.db2.gz PQXASWMOAZKFCK-QWHCGFSZSA-N 1 1 455.426 2.954 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137377 1063195752 /nfs/dbraw/zinc/19/57/52/1063195752.db2.gz PQXASWMOAZKFCK-OLZOCXBDSA-N 1 1 455.426 2.954 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291137696 1063197851 /nfs/dbraw/zinc/19/78/51/1063197851.db2.gz WCEZKEUGQMLOPC-ROUUACIJSA-N 1 1 456.595 2.713 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291137695 1063197995 /nfs/dbraw/zinc/19/79/95/1063197995.db2.gz WCEZKEUGQMLOPC-QZTJIDSGSA-N 1 1 456.595 2.713 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291138633 1063200762 /nfs/dbraw/zinc/20/07/62/1063200762.db2.gz NKPDXFXRAGBYFW-QHAWAJNXSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295323771 1063206881 /nfs/dbraw/zinc/20/68/81/1063206881.db2.gz TVUXQSSIOYCAIJ-WMZOPIPTSA-N 1 1 459.597 2.697 20 0 JFADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295323769 1063207011 /nfs/dbraw/zinc/20/70/11/1063207011.db2.gz TVUXQSSIOYCAIJ-FUHWJXTLSA-N 1 1 459.597 2.697 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001291140365 1063208125 /nfs/dbraw/zinc/20/81/25/1063208125.db2.gz WQGYODQMKYAYTF-SLFFLAALSA-N 1 1 472.638 2.866 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001295326765 1063215123 /nfs/dbraw/zinc/21/51/23/1063215123.db2.gz ACBXDBIABZYOQN-QFIPXVFZSA-N 1 1 484.693 2.774 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295326803 1063217078 /nfs/dbraw/zinc/21/70/78/1063217078.db2.gz BNQTZOURESYEPW-UHFFFAOYSA-N 1 1 457.623 2.870 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295326803 1063217098 /nfs/dbraw/zinc/21/70/98/1063217098.db2.gz BNQTZOURESYEPW-UHFFFAOYSA-N 1 1 457.623 2.870 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001295327033 1063219784 /nfs/dbraw/zinc/21/97/84/1063219784.db2.gz LNLYBOIHPAOWFT-OAQYLSRUSA-N 1 1 476.629 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccccc2)CC1 ZINC001295327033 1063219801 /nfs/dbraw/zinc/21/98/01/1063219801.db2.gz LNLYBOIHPAOWFT-OAQYLSRUSA-N 1 1 476.629 2.919 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295327128 1063220708 /nfs/dbraw/zinc/22/07/08/1063220708.db2.gz OKBIMFOTLJBZLG-QHCPKHFHSA-N 1 1 496.704 2.841 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295327521 1063223903 /nfs/dbraw/zinc/22/39/03/1063223903.db2.gz WEKOJQOJFTWUEW-FQEVSTJZSA-N 1 1 471.650 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC(C)(C)C2)CC1 ZINC001295330491 1063231341 /nfs/dbraw/zinc/23/13/41/1063231341.db2.gz YHOVAXOLWJEBLR-UHFFFAOYSA-N 1 1 496.660 2.742 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC(C)(C)C2)CC1 ZINC001295330491 1063231357 /nfs/dbraw/zinc/23/13/57/1063231357.db2.gz YHOVAXOLWJEBLR-UHFFFAOYSA-N 1 1 496.660 2.742 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001291147729 1063234557 /nfs/dbraw/zinc/23/45/57/1063234557.db2.gz DHTDPHIIRSFBJO-NTDBWNAOSA-N 1 1 466.677 2.879 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCOC2)CC1 ZINC001295334665 1063241447 /nfs/dbraw/zinc/24/14/47/1063241447.db2.gz RXINSMGMVHPRHG-OAQYLSRUSA-N 1 1 486.636 2.815 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCOC2)CC1 ZINC001295334665 1063241466 /nfs/dbraw/zinc/24/14/66/1063241466.db2.gz RXINSMGMVHPRHG-OAQYLSRUSA-N 1 1 486.636 2.815 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2CC(F)(F)C2)CC1 ZINC001295334657 1063241508 /nfs/dbraw/zinc/24/15/08/1063241508.db2.gz RTJQESQMJQALST-IBGZPJMESA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2CC(F)(F)C2)CC1 ZINC001295334657 1063241527 /nfs/dbraw/zinc/24/15/27/1063241527.db2.gz RTJQESQMJQALST-IBGZPJMESA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295334811 1063244091 /nfs/dbraw/zinc/24/40/91/1063244091.db2.gz SZRGGMRUSJSCBZ-YIXXDRMTSA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295334811 1063244110 /nfs/dbraw/zinc/24/41/10/1063244110.db2.gz SZRGGMRUSJSCBZ-YIXXDRMTSA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295335036 1063247454 /nfs/dbraw/zinc/24/74/54/1063247454.db2.gz WWZACBUNIFMOGQ-QUCCMNQESA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295335036 1063247466 /nfs/dbraw/zinc/24/74/66/1063247466.db2.gz WWZACBUNIFMOGQ-QUCCMNQESA-N 1 1 489.690 2.731 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001291167919 1063257583 /nfs/dbraw/zinc/25/75/83/1063257583.db2.gz WTUCRDWCRGWRIU-QHAWAJNXSA-N 1 1 492.665 2.670 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295344969 1063279408 /nfs/dbraw/zinc/27/94/08/1063279408.db2.gz PYRHQXDTXYFBMT-FYYLOGMGSA-N 1 1 491.725 2.527 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001295345723 1063284664 /nfs/dbraw/zinc/28/46/64/1063284664.db2.gz IXBTUOPEHVQNSF-OAQYLSRUSA-N 1 1 469.634 2.558 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001295345723 1063284687 /nfs/dbraw/zinc/28/46/87/1063284687.db2.gz IXBTUOPEHVQNSF-OAQYLSRUSA-N 1 1 469.634 2.558 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295346335 1063287262 /nfs/dbraw/zinc/28/72/62/1063287262.db2.gz VKUAVUJQHPGUIX-VQTJNVASSA-N 1 1 456.639 2.977 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291186136 1063288570 /nfs/dbraw/zinc/28/85/70/1063288570.db2.gz AMQFIXZOENCJRV-KURKYZTESA-N 1 1 458.582 2.639 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001291186293 1063289321 /nfs/dbraw/zinc/28/93/21/1063289321.db2.gz CNDXTSMPYGCJIT-HDICACEKSA-N 1 1 459.639 2.960 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291186572 1063291047 /nfs/dbraw/zinc/29/10/47/1063291047.db2.gz GSTAMBWGPVTYKK-KDURUIRLSA-N 1 1 457.623 2.876 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295348906 1063292079 /nfs/dbraw/zinc/29/20/79/1063292079.db2.gz RHBAFHFTIBGTFO-MHZLTWQESA-N 1 1 497.688 2.893 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291188164 1063301396 /nfs/dbraw/zinc/30/13/96/1063301396.db2.gz GIBPIVWRKASACG-QRVBRYPASA-N 1 1 472.609 2.563 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295353149 1063302507 /nfs/dbraw/zinc/30/25/07/1063302507.db2.gz BZCXAFOZYLMPGD-UHFFFAOYSA-N 1 1 462.668 2.558 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291188952 1063306268 /nfs/dbraw/zinc/30/62/68/1063306268.db2.gz SVOKDQWLVNPJAS-CALCHBBNSA-N 1 1 460.648 2.520 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001291189196 1063307330 /nfs/dbraw/zinc/30/73/30/1063307330.db2.gz XBSHWVITXISKAT-HSALFYBXSA-N 1 1 478.707 2.866 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291189265 1063307901 /nfs/dbraw/zinc/30/79/01/1063307901.db2.gz YKGDONAIDOSXEI-OYRHEFFESA-N 1 1 497.688 2.893 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295355556 1063309556 /nfs/dbraw/zinc/30/95/56/1063309556.db2.gz NBCKSCSBPZYGMF-FGZHOGPDSA-N 1 1 475.682 2.734 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291189427 1063309829 /nfs/dbraw/zinc/30/98/29/1063309829.db2.gz BAAFOIPPDYJGMB-HNNXBMFYSA-N 1 1 478.439 2.825 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295355639 1063309915 /nfs/dbraw/zinc/30/99/15/1063309915.db2.gz OZRPFEBLYOTRFZ-FCHUYYIVSA-N 1 1 482.677 2.968 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCC[NH+]1CCOCC1 ZINC001291194163 1063325771 /nfs/dbraw/zinc/32/57/71/1063325771.db2.gz RCIOJIJWZJVHEP-KRWDZBQOSA-N 1 1 479.050 2.613 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C[C@@H](C)S1 ZINC001291198880 1063350494 /nfs/dbraw/zinc/35/04/94/1063350494.db2.gz DHMRUORBTPMXQY-QZTJIDSGSA-N 1 1 493.077 2.914 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001291200534 1063355957 /nfs/dbraw/zinc/35/59/57/1063355957.db2.gz GULLGWQDHFGECU-PKOBYXMFSA-N 1 1 462.639 2.599 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001291200533 1063356043 /nfs/dbraw/zinc/35/60/43/1063356043.db2.gz GULLGWQDHFGECU-MJGOQNOKSA-N 1 1 462.639 2.599 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001291201644 1063357231 /nfs/dbraw/zinc/35/72/31/1063357231.db2.gz YTTHGUHXDAQOFO-GHTZIAJQSA-N 1 1 469.634 2.874 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210828 1063390040 /nfs/dbraw/zinc/39/00/40/1063390040.db2.gz JJFRTWFPXLUEIH-WBVHZDCISA-N 1 1 483.480 2.835 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211727 1063397005 /nfs/dbraw/zinc/39/70/05/1063397005.db2.gz ZUZQNRCLBIEQMD-QAPCUYQASA-N 1 1 492.466 2.833 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291219829 1063448277 /nfs/dbraw/zinc/44/82/77/1063448277.db2.gz SEENWAJGCWDQQP-INIZCTEOSA-N 1 1 452.024 2.954 20 0 JFADMO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295449489 1063453534 /nfs/dbraw/zinc/45/35/34/1063453534.db2.gz VCNWBYXVJLASRT-BGYRXZFFSA-N 1 1 456.639 2.798 20 0 JFADMO CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001295456346 1063459919 /nfs/dbraw/zinc/45/99/19/1063459919.db2.gz JOQIPMBZOVJNAS-UHFFFAOYSA-N 1 1 469.678 2.600 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C[C@H](C(F)(F)F)O1 ZINC001291228075 1063477420 /nfs/dbraw/zinc/47/74/20/1063477420.db2.gz LJOHYDGZXBNUEG-MAUKXSAKSA-N 1 1 457.472 2.963 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291230112 1063483211 /nfs/dbraw/zinc/48/32/11/1063483211.db2.gz UYWOCJGKPYIFKS-RTBURBONSA-N 1 1 481.567 2.650 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001291231322 1063485943 /nfs/dbraw/zinc/48/59/43/1063485943.db2.gz RQDRBBZZCWWTLV-QWFCFKBJSA-N 1 1 459.664 2.557 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232444 1063491107 /nfs/dbraw/zinc/49/11/07/1063491107.db2.gz MTWDXANWKKTGMB-AZUAARDMSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232444 1063491123 /nfs/dbraw/zinc/49/11/23/1063491123.db2.gz MTWDXANWKKTGMB-AZUAARDMSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232445 1063491193 /nfs/dbraw/zinc/49/11/93/1063491193.db2.gz MTWDXANWKKTGMB-ICSRJNTNSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232445 1063491198 /nfs/dbraw/zinc/49/11/98/1063491198.db2.gz MTWDXANWKKTGMB-ICSRJNTNSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC001291237996 1063504554 /nfs/dbraw/zinc/50/45/54/1063504554.db2.gz HUYDUMPSQBOAQI-MRXNPFEDSA-N 1 1 452.529 2.540 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001291241029 1063511476 /nfs/dbraw/zinc/51/14/76/1063511476.db2.gz JBNWLIQKFJXFGT-WCXIOVBPSA-N 1 1 458.529 2.506 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241742 1063513168 /nfs/dbraw/zinc/51/31/68/1063513168.db2.gz SHCUVFALGMTVIY-GUDVDZBRSA-N 1 1 477.654 2.558 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291249360 1063525845 /nfs/dbraw/zinc/52/58/45/1063525845.db2.gz DIFYPJGFEWCVAJ-RTBURBONSA-N 1 1 467.680 2.696 20 0 JFADMO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001295511074 1063545838 /nfs/dbraw/zinc/54/58/38/1063545838.db2.gz ATIPVLAMVOCDEY-YADHBBJMSA-N 1 1 457.667 2.809 20 0 JFADMO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291256219 1063547128 /nfs/dbraw/zinc/54/71/28/1063547128.db2.gz RJWUNNDHXNAUSI-GGPKGHCWSA-N 1 1 478.638 2.684 20 0 JFADMO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291256221 1063547745 /nfs/dbraw/zinc/54/77/45/1063547745.db2.gz RJWUNNDHXNAUSI-NSHGMRRFSA-N 1 1 478.638 2.684 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)CC2(CCOCC2)O1 ZINC001291259452 1063552900 /nfs/dbraw/zinc/55/29/00/1063552900.db2.gz SJXPUQBNBSTUNM-RTWAWAEBSA-N 1 1 463.667 2.878 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291265140 1063565360 /nfs/dbraw/zinc/56/53/60/1063565360.db2.gz OXCBSEDQJABUQF-QUCCMNQESA-N 1 1 457.623 2.954 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291265138 1063565400 /nfs/dbraw/zinc/56/54/00/1063565400.db2.gz OXCBSEDQJABUQF-AZUAARDMSA-N 1 1 457.623 2.954 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001291275182 1063582395 /nfs/dbraw/zinc/58/23/95/1063582395.db2.gz NTHQHIVEQQIKGM-SZPZYZBQSA-N 1 1 470.662 2.787 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001291275183 1063582556 /nfs/dbraw/zinc/58/25/56/1063582556.db2.gz NTHQHIVEQQIKGM-VXKWHMMOSA-N 1 1 470.662 2.787 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291275793 1063584454 /nfs/dbraw/zinc/58/44/54/1063584454.db2.gz ZMZOOCUJAUWLQR-HXUWFJFHSA-N 1 1 496.578 2.695 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001291277478 1063590554 /nfs/dbraw/zinc/59/05/54/1063590554.db2.gz DUCCALFXFFIUTJ-KSFYIVLOSA-N 1 1 494.434 2.690 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291282376 1063612402 /nfs/dbraw/zinc/61/24/02/1063612402.db2.gz OMNQBCJYHZYDNN-WWEVIYMKSA-N 1 1 461.582 2.560 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286978 1063634392 /nfs/dbraw/zinc/63/43/92/1063634392.db2.gz RYDAEEUBPLHKIB-MOPGFXCFSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286978 1063634404 /nfs/dbraw/zinc/63/44/04/1063634404.db2.gz RYDAEEUBPLHKIB-MOPGFXCFSA-N 1 1 463.648 2.540 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291287025 1063636249 /nfs/dbraw/zinc/63/62/49/1063636249.db2.gz STRNBCGPZWYNIN-ZWKOTPCHSA-N 1 1 498.031 2.963 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291287025 1063636256 /nfs/dbraw/zinc/63/62/56/1063636256.db2.gz STRNBCGPZWYNIN-ZWKOTPCHSA-N 1 1 498.031 2.963 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595978 1063640893 /nfs/dbraw/zinc/64/08/93/1063640893.db2.gz XMOCJAFGTZSXCJ-QFIPXVFZSA-N 1 1 482.608 2.787 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291287831 1063644285 /nfs/dbraw/zinc/64/42/85/1063644285.db2.gz IGWRCEANWGCHSH-QHAWAJNXSA-N 1 1 476.666 2.797 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287940 1063644820 /nfs/dbraw/zinc/64/48/20/1063644820.db2.gz KKHOSEUUFWEIDY-QGZVFWFLSA-N 1 1 483.585 2.616 20 0 JFADMO C[N@@H+]1CC=C(CNC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001295600737 1063646034 /nfs/dbraw/zinc/64/60/34/1063646034.db2.gz GNLPUDZCHWCXQB-UHFFFAOYSA-N 1 1 453.568 2.969 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccs2)C[C@H](C)O1 ZINC001291288072 1063646041 /nfs/dbraw/zinc/64/60/41/1063646041.db2.gz MUYSWLBCOJCFIF-KDURUIRLSA-N 1 1 460.648 2.754 20 0 JFADMO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291288260 1063647851 /nfs/dbraw/zinc/64/78/51/1063647851.db2.gz PFVAZRAWJLOYKD-QRVBRYPASA-N 1 1 475.663 2.710 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001291288417 1063649556 /nfs/dbraw/zinc/64/95/56/1063649556.db2.gz SDLKVIKCMGYTPV-CJFMBICVSA-N 1 1 454.619 2.632 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291290342 1063663876 /nfs/dbraw/zinc/66/38/76/1063663876.db2.gz YPASRWRIPJDTOV-QZTJIDSGSA-N 1 1 461.010 2.766 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1CC ZINC001295625101 1063670600 /nfs/dbraw/zinc/67/06/00/1063670600.db2.gz IEAGTFLPHGZNKS-PKOBYXMFSA-N 1 1 466.627 2.928 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295625100 1063670631 /nfs/dbraw/zinc/67/06/31/1063670631.db2.gz IEAGTFLPHGZNKS-MJGOQNOKSA-N 1 1 466.627 2.928 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295625098 1063670661 /nfs/dbraw/zinc/67/06/61/1063670661.db2.gz IEAGTFLPHGZNKS-HKUYNNGSSA-N 1 1 466.627 2.928 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1CC ZINC001295625099 1063670671 /nfs/dbraw/zinc/67/06/71/1063670671.db2.gz IEAGTFLPHGZNKS-IEBWSBKVSA-N 1 1 466.627 2.928 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291789 1063671936 /nfs/dbraw/zinc/67/19/36/1063671936.db2.gz UYFRDQOPGVFOJF-PZJWPPBQSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)C[C@H](C)O1 ZINC001291291899 1063673591 /nfs/dbraw/zinc/67/35/91/1063673591.db2.gz VXOINQBIMVOGRB-WSTZPKSXSA-N 1 1 491.036 2.897 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001291292430 1063675756 /nfs/dbraw/zinc/67/57/56/1063675756.db2.gz DHMGHCAMTIMBCL-HDICACEKSA-N 1 1 473.025 2.787 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291292412 1063675854 /nfs/dbraw/zinc/67/58/54/1063675854.db2.gz DBNXBXHMWJXXMH-RBUKOAKNSA-N 1 1 475.037 2.690 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@H](C)O1 ZINC001291292591 1063677017 /nfs/dbraw/zinc/67/70/17/1063677017.db2.gz GOUWEQHAFDJVSY-QLDGJZPUSA-N 1 1 463.573 2.854 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001295635030 1063677530 /nfs/dbraw/zinc/67/75/30/1063677530.db2.gz BYLXCUIAZNEUDI-AEFFLSMTSA-N 1 1 466.677 2.993 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCO1 ZINC001291292849 1063679155 /nfs/dbraw/zinc/67/91/55/1063679155.db2.gz KIDPTJMVEPNULY-FQEVSTJZSA-N 1 1 477.698 2.998 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCC(CO)CC2)C[C@H](C)O1 ZINC001291293016 1063680887 /nfs/dbraw/zinc/68/08/87/1063680887.db2.gz NLMIWUXZNNVGMW-OYRHEFFESA-N 1 1 457.619 2.608 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291293149 1063682717 /nfs/dbraw/zinc/68/27/17/1063682717.db2.gz PPXKDDBIWABCEK-DMUMMCEESA-N 1 1 482.551 2.919 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291293151 1063682783 /nfs/dbraw/zinc/68/27/83/1063682783.db2.gz PPXKDDBIWABCEK-HLNWXESRSA-N 1 1 482.551 2.919 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001291293233 1063683827 /nfs/dbraw/zinc/68/38/27/1063683827.db2.gz RETLGLKTABTMOJ-FQEVSTJZSA-N 1 1 474.675 2.736 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295642765 1063685326 /nfs/dbraw/zinc/68/53/26/1063685326.db2.gz UPVXXUGALSJVGI-ICSRJNTNSA-N 1 1 496.703 2.573 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001295646810 1063688311 /nfs/dbraw/zinc/68/83/11/1063688311.db2.gz MNLFQSOWFDBSAL-IBGZPJMESA-N 1 1 465.606 2.806 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCO1 ZINC001291295412 1063694996 /nfs/dbraw/zinc/69/49/96/1063694996.db2.gz YSLGTWZXPXYMNU-ZWKOTPCHSA-N 1 1 492.562 2.653 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295522 1063696300 /nfs/dbraw/zinc/69/63/00/1063696300.db2.gz ACPJNHIPJZMYRN-PXNSSMCTSA-N 1 1 463.623 2.894 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1CC[N@@H+]1CC=CCC1 ZINC001295653843 1063697931 /nfs/dbraw/zinc/69/79/31/1063697931.db2.gz ROJBGMXJJLZQCF-UHFFFAOYSA-N 1 1 451.575 2.984 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291301745 1063710301 /nfs/dbraw/zinc/71/03/01/1063710301.db2.gz JUXKLHIENZZAPC-APWZRJJASA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291307374 1063723031 /nfs/dbraw/zinc/72/30/31/1063723031.db2.gz SCOAWVQSVZNSPC-QGZVFWFLSA-N 1 1 469.977 2.789 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291307374 1063723039 /nfs/dbraw/zinc/72/30/39/1063723039.db2.gz SCOAWVQSVZNSPC-QGZVFWFLSA-N 1 1 469.977 2.789 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001291307466 1063723639 /nfs/dbraw/zinc/72/36/39/1063723639.db2.gz UOPFOIONGJGALO-GJZGRUSLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001291307466 1063723659 /nfs/dbraw/zinc/72/36/59/1063723659.db2.gz UOPFOIONGJGALO-GJZGRUSLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 ZINC001291307697 1063725828 /nfs/dbraw/zinc/72/58/28/1063725828.db2.gz ZNSRPKIFTPAQQX-GOSISDBHSA-N 1 1 456.978 2.713 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 ZINC001291307697 1063725839 /nfs/dbraw/zinc/72/58/39/1063725839.db2.gz ZNSRPKIFTPAQQX-GOSISDBHSA-N 1 1 456.978 2.713 20 0 JFADMO C[C@@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310767 1063740519 /nfs/dbraw/zinc/74/05/19/1063740519.db2.gz HOZFQYRTSLFJIE-AEFFLSMTSA-N 1 1 478.066 2.878 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295741438 1063749646 /nfs/dbraw/zinc/74/96/46/1063749646.db2.gz XVXVCCYLXRDOOT-UNMCSNQZSA-N 1 1 469.634 2.597 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295741837 1063750363 /nfs/dbraw/zinc/75/03/63/1063750363.db2.gz CWXNIWHXDSOLEE-XCJLJZCSSA-N 1 1 451.608 2.898 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@@H]3CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295741837 1063750368 /nfs/dbraw/zinc/75/03/68/1063750368.db2.gz CWXNIWHXDSOLEE-XCJLJZCSSA-N 1 1 451.608 2.898 20 0 JFADMO C[C@H]1N(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291316878 1063752583 /nfs/dbraw/zinc/75/25/83/1063752583.db2.gz CDPDMBIWUDNYGW-TZIWHRDSSA-N 1 1 454.619 2.892 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291321044 1063761744 /nfs/dbraw/zinc/76/17/44/1063761744.db2.gz DWIITWKCTPGOOG-MZNJEOGPSA-N 1 1 495.571 2.633 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291321044 1063761754 /nfs/dbraw/zinc/76/17/54/1063761754.db2.gz DWIITWKCTPGOOG-MZNJEOGPSA-N 1 1 495.571 2.633 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295758702 1063762668 /nfs/dbraw/zinc/76/26/68/1063762668.db2.gz AFDVZJAADNGNKY-GBXCKJPGSA-N 1 1 494.606 2.954 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001295764097 1063770470 /nfs/dbraw/zinc/77/04/70/1063770470.db2.gz RKTWDDBWIHCHQY-GOSISDBHSA-N 1 1 466.556 2.651 20 0 JFADMO CCN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)S(C)(=O)=O ZINC001295805317 1063794809 /nfs/dbraw/zinc/79/48/09/1063794809.db2.gz CNICAFZREHQRDC-FQEVSTJZSA-N 1 1 481.066 2.945 20 0 JFADMO CCN(CCCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1)S(C)(=O)=O ZINC001295809340 1063802828 /nfs/dbraw/zinc/80/28/28/1063802828.db2.gz AYDKHGYTOFGUSH-UHFFFAOYSA-N 1 1 478.663 2.546 20 0 JFADMO CCN(CCCn1c(-c2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1)S(C)(=O)=O ZINC001295809994 1063804141 /nfs/dbraw/zinc/80/41/41/1063804141.db2.gz HWTWBXKDZSHFAO-UHFFFAOYSA-N 1 1 466.627 2.676 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816028 1063821295 /nfs/dbraw/zinc/82/12/95/1063821295.db2.gz RGQHPVLOGIJEFO-RBUKOAKNSA-N 1 1 489.665 2.738 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001295816410 1063821778 /nfs/dbraw/zinc/82/17/78/1063821778.db2.gz WDPQOBCJUCTQKL-HXUWFJFHSA-N 1 1 475.682 2.623 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001291341567 1063822408 /nfs/dbraw/zinc/82/24/08/1063822408.db2.gz FXKQAKYBEFFITM-LEWJYISDSA-N 1 1 469.634 2.644 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001295820865 1063826609 /nfs/dbraw/zinc/82/66/09/1063826609.db2.gz IZVAUUKJUICBMG-UHFFFAOYSA-N 1 1 465.643 2.640 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H](C(N)=O)C1)C1CC1 ZINC001295822579 1063829275 /nfs/dbraw/zinc/82/92/75/1063829275.db2.gz BLZGIPRZNPPXIG-INIZCTEOSA-N 1 1 461.408 2.894 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)C(C)C ZINC001295823983 1063831001 /nfs/dbraw/zinc/83/10/01/1063831001.db2.gz ZOSANXFLHLYEBG-UHFFFAOYSA-N 1 1 472.453 2.919 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344819 1063834554 /nfs/dbraw/zinc/83/45/54/1063834554.db2.gz LLUZLXILXFTIBY-GMAHTHKFSA-N 1 1 486.636 2.860 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC001295827081 1063836005 /nfs/dbraw/zinc/83/60/05/1063836005.db2.gz KRDQUNDRNMTPFY-SFHVURJKSA-N 1 1 489.564 2.846 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C ZINC001295828545 1063839223 /nfs/dbraw/zinc/83/92/23/1063839223.db2.gz AAIQLYZHPLTHKS-UHFFFAOYSA-N 1 1 491.999 2.989 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295829091 1063840248 /nfs/dbraw/zinc/84/02/48/1063840248.db2.gz GEODCWQNISTQBK-UHFFFAOYSA-N 1 1 462.879 2.948 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)CCC(F)(F)F ZINC001295829331 1063840952 /nfs/dbraw/zinc/84/09/52/1063840952.db2.gz HOZYGTCGCAAIAY-HOTGVXAUSA-N 1 1 485.942 2.983 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)CCC(F)(F)F ZINC001295829330 1063841081 /nfs/dbraw/zinc/84/10/81/1063841081.db2.gz HOZYGTCGCAAIAY-CVEARBPZSA-N 1 1 485.942 2.983 20 0 JFADMO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295829450 1063841551 /nfs/dbraw/zinc/84/15/51/1063841551.db2.gz JLNHZNFKZMKNHH-GOSISDBHSA-N 1 1 460.579 2.624 20 0 JFADMO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295829450 1063841563 /nfs/dbraw/zinc/84/15/63/1063841563.db2.gz JLNHZNFKZMKNHH-GOSISDBHSA-N 1 1 460.579 2.624 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C ZINC001295829836 1063842973 /nfs/dbraw/zinc/84/29/73/1063842973.db2.gz MIMDENIXWGUFJD-GOSISDBHSA-N 1 1 476.025 2.893 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295830646 1063844661 /nfs/dbraw/zinc/84/46/61/1063844661.db2.gz QPXVGBZITOUCHI-HNNXBMFYSA-N 1 1 473.931 2.970 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001291346581 1063845435 /nfs/dbraw/zinc/84/54/35/1063845435.db2.gz VUQCYUOUYQPZSY-DHIUTWEWSA-N 1 1 498.672 2.937 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295831177 1063845886 /nfs/dbraw/zinc/84/58/86/1063845886.db2.gz VCAOREZSNCOKMF-UHFFFAOYSA-N 1 1 461.492 2.704 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295831246 1063846523 /nfs/dbraw/zinc/84/65/23/1063846523.db2.gz XBCBKFBOEQCUDU-UHFFFAOYSA-N 1 1 458.607 2.751 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295831547 1063846723 /nfs/dbraw/zinc/84/67/23/1063846723.db2.gz ZUXWNMJZFXREEQ-IBGZPJMESA-N 1 1 479.647 2.706 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)CCC(F)(F)F ZINC001295835493 1063852079 /nfs/dbraw/zinc/85/20/79/1063852079.db2.gz FLSGOJZFJXTDMG-SFHVURJKSA-N 1 1 467.540 2.919 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836221 1063852551 /nfs/dbraw/zinc/85/25/51/1063852551.db2.gz POVLLKWCXRNBGD-LAUBAEHRSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)CCC(F)(F)F ZINC001295836190 1063852601 /nfs/dbraw/zinc/85/26/01/1063852601.db2.gz PFBGYINDEOGBIG-IEBWSBKVSA-N 1 1 483.535 2.888 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC001295838069 1063856109 /nfs/dbraw/zinc/85/61/09/1063856109.db2.gz SILKXRWMUURNBE-GOTSBHOMSA-N 1 1 496.704 2.887 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)C1CC1 ZINC001295841604 1063861126 /nfs/dbraw/zinc/86/11/26/1063861126.db2.gz KYDBJGVDIPCSJJ-GOSISDBHSA-N 1 1 454.623 2.597 20 0 JFADMO CC[N@H+](CCn1c(C2CC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063864018 /nfs/dbraw/zinc/86/40/18/1063864018.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 1 1 468.572 2.876 20 0 JFADMO CC[N@@H+](CCn1c(C2CC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063864035 /nfs/dbraw/zinc/86/40/35/1063864035.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 1 1 468.572 2.876 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295844517 1063864118 /nfs/dbraw/zinc/86/41/18/1063864118.db2.gz CIPZLVDPIMRYHV-UHFFFAOYSA-N 1 1 485.599 2.564 20 0 JFADMO CCn1nc(-c2nnc(N3CCOC[C@H]3C)n2CC[N@@H+](CC)C(C)C)c2ccccc2c1=O ZINC001295844722 1063864585 /nfs/dbraw/zinc/86/45/85/1063864585.db2.gz DLZXPZKONHNSPQ-GOSISDBHSA-N 1 1 453.591 2.630 20 0 JFADMO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864884 /nfs/dbraw/zinc/86/48/84/1063864884.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 1 1 461.699 2.507 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864901 /nfs/dbraw/zinc/86/49/01/1063864901.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 1 1 461.699 2.507 20 0 JFADMO CCn1nc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+](CC)C(C)C)c2ccccc2c1=O ZINC001295846258 1063868256 /nfs/dbraw/zinc/86/82/56/1063868256.db2.gz PFDSFMIWYJZQIX-UHFFFAOYSA-N 1 1 477.617 2.775 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1)CCC(F)(F)F ZINC001295848300 1063871592 /nfs/dbraw/zinc/87/15/92/1063871592.db2.gz LJIIYEUSZTZMQP-IBGZPJMESA-N 1 1 474.572 2.799 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCC2(COC(=O)N2)CC1)CCC(F)(F)F ZINC001295848685 1063871921 /nfs/dbraw/zinc/87/19/21/1063871921.db2.gz NFMFFVCNHJYKCR-MRXNPFEDSA-N 1 1 474.528 2.873 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1)C(C)C ZINC001295850958 1063874658 /nfs/dbraw/zinc/87/46/58/1063874658.db2.gz ANAYKKFYADRJEZ-OAHLLOKOSA-N 1 1 488.452 2.902 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1)CCC(F)(F)F ZINC001295852637 1063877420 /nfs/dbraw/zinc/87/74/20/1063877420.db2.gz KJNALWZXGMPNTF-SFHVURJKSA-N 1 1 485.555 2.675 20 0 JFADMO CCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC001295853145 1063879611 /nfs/dbraw/zinc/87/96/11/1063879611.db2.gz ODUKBXSJQUENSS-SFTDATJTSA-N 1 1 492.665 2.730 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1)CCC(F)(F)F ZINC001295853414 1063880315 /nfs/dbraw/zinc/88/03/15/1063880315.db2.gz PWXVPFCUOJFYER-IRXDYDNUSA-N 1 1 487.527 2.716 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295853428 1063880838 /nfs/dbraw/zinc/88/08/38/1063880838.db2.gz PXBPKBFKZVAQML-WOJBJXKFSA-N 1 1 499.582 2.857 20 0 JFADMO CC[N@@H+](CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C(C)C ZINC001295854124 1063882244 /nfs/dbraw/zinc/88/22/44/1063882244.db2.gz VMCJZEBKYPQAOM-IBGZPJMESA-N 1 1 491.681 2.790 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1CC1 ZINC001295855023 1063883909 /nfs/dbraw/zinc/88/39/09/1063883909.db2.gz CERWSVCXLWEVGK-FIKGOQFSSA-N 1 1 477.631 2.533 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1CC1 ZINC001295855025 1063884744 /nfs/dbraw/zinc/88/47/44/1063884744.db2.gz CERWSVCXLWEVGK-LZJOCLMNSA-N 1 1 477.631 2.533 20 0 JFADMO CCN(c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+](CC)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295855575 1063885754 /nfs/dbraw/zinc/88/57/54/1063885754.db2.gz RPAQSOFFXJBAAE-KRWDZBQOSA-N 1 1 469.602 2.891 20 0 JFADMO CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295856152 1063886477 /nfs/dbraw/zinc/88/64/77/1063886477.db2.gz YBUPRLIOFFLNCR-UHFFFAOYSA-N 1 1 479.519 2.990 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295856152 1063886491 /nfs/dbraw/zinc/88/64/91/1063886491.db2.gz YBUPRLIOFFLNCR-UHFFFAOYSA-N 1 1 479.519 2.990 20 0 JFADMO CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001295856467 1063887149 /nfs/dbraw/zinc/88/71/49/1063887149.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 1 1 493.697 2.847 20 0 JFADMO CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001295856467 1063887165 /nfs/dbraw/zinc/88/71/65/1063887165.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 1 1 493.697 2.847 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1)C(C)C ZINC001295856969 1063887732 /nfs/dbraw/zinc/88/77/32/1063887732.db2.gz ORMMGXLHPQIGCA-UHFFFAOYSA-N 1 1 468.654 2.600 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1)C(C)C ZINC001295856890 1063887815 /nfs/dbraw/zinc/88/78/15/1063887815.db2.gz MNGMQTLPXWVPMN-FQEVSTJZSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291366215 1063888980 /nfs/dbraw/zinc/88/89/80/1063888980.db2.gz WKHXBOZMQIMYOY-RUZDIDTESA-N 1 1 483.617 2.569 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1C[C@H]2OCO[C@H]2C1)CCC(F)(F)F ZINC001295859654 1063890798 /nfs/dbraw/zinc/89/07/98/1063890798.db2.gz SQXXMXKSQFJOPE-HDICACEKSA-N 1 1 457.472 2.844 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)CCC(F)(F)F ZINC001295860512 1063891455 /nfs/dbraw/zinc/89/14/55/1063891455.db2.gz CFIXHDKNQCHKCY-NRFANRHFSA-N 1 1 481.523 2.569 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291368521 1063893574 /nfs/dbraw/zinc/89/35/74/1063893574.db2.gz OOJIQHTWVVTSTM-DEOSSOPVSA-N 1 1 454.575 2.774 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C ZINC001295865077 1063896044 /nfs/dbraw/zinc/89/60/44/1063896044.db2.gz AMFXBFOZOFYWIR-QFIPXVFZSA-N 1 1 488.608 2.554 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295865304 1063896684 /nfs/dbraw/zinc/89/66/84/1063896684.db2.gz IBFSPUWPRVLVMS-LJQANCHMSA-N 1 1 470.039 2.864 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295865626 1063898482 /nfs/dbraw/zinc/89/84/82/1063898482.db2.gz FGZKMZXWSBWQKS-UHFFFAOYSA-N 1 1 475.588 2.736 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295866348 1063900997 /nfs/dbraw/zinc/90/09/97/1063900997.db2.gz KSHNSOKJFUZWNP-LJQANCHMSA-N 1 1 484.571 2.519 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295866474 1063901535 /nfs/dbraw/zinc/90/15/35/1063901535.db2.gz XSYMGXBGRLQRLA-FQEVSTJZSA-N 1 1 467.611 2.740 20 0 JFADMO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001295867557 1063902530 /nfs/dbraw/zinc/90/25/30/1063902530.db2.gz VIISKUVMIPHRBQ-OALUTQOASA-N 1 1 477.654 2.576 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccc2F)CC1)C(C)C ZINC001295867603 1063902836 /nfs/dbraw/zinc/90/28/36/1063902836.db2.gz WGIQOEJGUCKBGP-UHFFFAOYSA-N 1 1 469.613 2.731 20 0 JFADMO CC[N@@H+](CCn1c(N2C[C@H](C)OC3(CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868025 1063903864 /nfs/dbraw/zinc/90/38/64/1063903864.db2.gz CYKPYPBVMZFSHB-OFVILXPXSA-N 1 1 479.666 2.823 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291376199 1063906279 /nfs/dbraw/zinc/90/62/79/1063906279.db2.gz RVHJMQLRCOKFEY-HSZRJFAPSA-N 1 1 457.648 2.764 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295870514 1063908315 /nfs/dbraw/zinc/90/83/15/1063908315.db2.gz ZWIMVYQFXYGFGN-RBUKOAKNSA-N 1 1 485.555 2.814 20 0 JFADMO CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291378041 1063910478 /nfs/dbraw/zinc/91/04/78/1063910478.db2.gz ZSTNPHVJSXOYLO-SBUREZEXSA-N 1 1 460.648 2.741 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291379379 1063913680 /nfs/dbraw/zinc/91/36/80/1063913680.db2.gz YPXFRTRIGMCXOT-DHIUTWEWSA-N 1 1 464.010 2.973 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291379620 1063915006 /nfs/dbraw/zinc/91/50/06/1063915006.db2.gz BTDODNJZBXLLAS-YDLHNXBPSA-N 1 1 462.639 2.884 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001295877107 1063917304 /nfs/dbraw/zinc/91/73/04/1063917304.db2.gz FIGYVTMFUCGOMG-OAQYLSRUSA-N 1 1 458.632 2.766 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001295877243 1063918107 /nfs/dbraw/zinc/91/81/07/1063918107.db2.gz ICVILJOYCGVOCA-IBGZPJMESA-N 1 1 460.604 2.585 20 0 JFADMO CC[C@](C)(O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291380798 1063918521 /nfs/dbraw/zinc/91/85/21/1063918521.db2.gz XDEVKBJMNUANBM-JXQFQVJHSA-N 1 1 475.659 2.897 20 0 JFADMO CC[C@](C)(O)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291380797 1063918555 /nfs/dbraw/zinc/91/85/55/1063918555.db2.gz XDEVKBJMNUANBM-IMWIBFENSA-N 1 1 475.659 2.897 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001295877571 1063918571 /nfs/dbraw/zinc/91/85/71/1063918571.db2.gz IUJLEIMHQUUPTR-KRWDZBQOSA-N 1 1 458.588 2.599 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001295878832 1063921014 /nfs/dbraw/zinc/92/10/14/1063921014.db2.gz SELBZKWLOMMYCW-LJQANCHMSA-N 1 1 491.658 2.708 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880952 1063925615 /nfs/dbraw/zinc/92/56/15/1063925615.db2.gz KAELOAIHOXPLPV-HXUWFJFHSA-N 1 1 462.664 2.887 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001295881581 1063927094 /nfs/dbraw/zinc/92/70/94/1063927094.db2.gz PVLVAKUYFFGIKL-JOCHJYFZSA-N 1 1 475.659 2.839 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001295881581 1063927106 /nfs/dbraw/zinc/92/71/06/1063927106.db2.gz PVLVAKUYFFGIKL-JOCHJYFZSA-N 1 1 475.659 2.839 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291385781 1063931166 /nfs/dbraw/zinc/93/11/66/1063931166.db2.gz PVDNYRNJQKIZLZ-GSHUGGBRSA-N 1 1 495.466 2.991 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc(COc4cc(C)cc(C)c4)n3CC[N@@H+](CC)C(C)C)CCN2C1=O ZINC001295892611 1063944785 /nfs/dbraw/zinc/94/47/85/1063944785.db2.gz GXXZIZSTPYTMNL-JOCHJYFZSA-N 1 1 497.644 2.677 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291399123 1063958020 /nfs/dbraw/zinc/95/80/20/1063958020.db2.gz HGYFNEKELWVMPX-GKBBYZSKSA-N 1 1 471.646 2.976 20 0 JFADMO CCn1cc(Cn2c(COc3cc(C)ccc3C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC001295933108 1063985037 /nfs/dbraw/zinc/98/50/37/1063985037.db2.gz MRBGHXRNPJEXQE-OAQYLSRUSA-N 1 1 467.618 2.896 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001291411746 1063987332 /nfs/dbraw/zinc/98/73/32/1063987332.db2.gz OISVCRNWPRMFAC-WEMPKCCASA-N 1 1 467.622 2.901 20 0 JFADMO CCn1cccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](CCOC)CC2)c1=O ZINC001295938232 1063988662 /nfs/dbraw/zinc/98/86/62/1063988662.db2.gz GGOPHZYBEHGXSS-LJQANCHMSA-N 1 1 484.576 2.556 20 0 JFADMO CCn1cccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1=O ZINC001295938264 1063988701 /nfs/dbraw/zinc/98/87/01/1063988701.db2.gz HGONARKXIQFBJO-WOJBJXKFSA-N 1 1 498.603 2.944 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)OC ZINC001291418132 1063996945 /nfs/dbraw/zinc/99/69/45/1063996945.db2.gz UFIUNJHMPKWEHE-WFXMLNOXSA-N 1 1 483.617 2.812 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001291419307 1063998711 /nfs/dbraw/zinc/99/87/11/1063998711.db2.gz JKDHXQCHPMTTAC-ZJOUEHCJSA-N 1 1 467.680 2.696 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420481 1064001383 /nfs/dbraw/zinc/00/13/83/1064001383.db2.gz XXKGNWKLUKQHSH-BDTNDASRSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420481 1064001391 /nfs/dbraw/zinc/00/13/91/1064001391.db2.gz XXKGNWKLUKQHSH-BDTNDASRSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@@H](C)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291424227 1064006552 /nfs/dbraw/zinc/00/65/52/1064006552.db2.gz VJQZOVCBDPAANZ-AUSIDOKSSA-N 1 1 483.665 2.647 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001291425962 1064008837 /nfs/dbraw/zinc/00/88/37/1064008837.db2.gz SBQVPZNIHWKWCS-WRTQPQOASA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001291425962 1064008847 /nfs/dbraw/zinc/00/88/47/1064008847.db2.gz SBQVPZNIHWKWCS-WRTQPQOASA-N 1 1 492.665 2.631 20 0 JFADMO CCn1cnnc1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295968267 1064015609 /nfs/dbraw/zinc/01/56/09/1064015609.db2.gz FBJKNQOYGAVKKU-UHFFFAOYSA-N 1 1 482.633 2.681 20 0 JFADMO CCn1cnnc1Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295968267 1064015616 /nfs/dbraw/zinc/01/56/16/1064015616.db2.gz FBJKNQOYGAVKKU-UHFFFAOYSA-N 1 1 482.633 2.681 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@@H]1C ZINC001295975399 1064018666 /nfs/dbraw/zinc/01/86/66/1064018666.db2.gz CULRYWZELKMLSI-OALUTQOASA-N 1 1 453.591 2.917 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001295975488 1064019753 /nfs/dbraw/zinc/01/97/53/1064019753.db2.gz CKKRRYQYMUPKNI-HBMCJLEFSA-N 1 1 453.635 2.958 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC001295975520 1064020181 /nfs/dbraw/zinc/02/01/81/1064020181.db2.gz CSVKUGJLCADHSX-RBUKOAKNSA-N 1 1 476.585 2.873 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001295975867 1064020739 /nfs/dbraw/zinc/02/07/39/1064020739.db2.gz FSFZAPKZMXKWBY-NXMSCROESA-N 1 1 493.052 2.568 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001295976046 1064021193 /nfs/dbraw/zinc/02/11/93/1064021193.db2.gz CBNBSDBYYTYIAW-BCQCSXDESA-N 1 1 498.672 2.944 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295976612 1064022502 /nfs/dbraw/zinc/02/25/02/1064022502.db2.gz HPGSDZJQTCQCLQ-VQTJNVASSA-N 1 1 493.612 2.918 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001295977254 1064022991 /nfs/dbraw/zinc/02/29/91/1064022991.db2.gz NXVULBPQXDITLG-SJORKVTESA-N 1 1 485.658 2.666 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@H]1C ZINC001295977501 1064023881 /nfs/dbraw/zinc/02/38/81/1064023881.db2.gz LGUMVHGXRBPWIX-MOPGFXCFSA-N 1 1 454.619 2.709 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCNC(=O)c1ccccc1F ZINC001291457976 1064024301 /nfs/dbraw/zinc/02/43/01/1064024301.db2.gz XGEKCDRODIKALB-QRVBRYPASA-N 1 1 460.598 2.906 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCNC(=O)c1ccccc1F ZINC001291457976 1064024305 /nfs/dbraw/zinc/02/43/05/1064024305.db2.gz XGEKCDRODIKALB-QRVBRYPASA-N 1 1 460.598 2.906 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC001295977935 1064024939 /nfs/dbraw/zinc/02/49/39/1064024939.db2.gz MCNSIEKQXGGFFZ-CVEARBPZSA-N 1 1 477.009 2.808 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001295978840 1064027174 /nfs/dbraw/zinc/02/71/74/1064027174.db2.gz TYGWXUYTTQGGAL-BSRJHKFKSA-N 1 1 463.648 2.675 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001295979131 1064027529 /nfs/dbraw/zinc/02/75/29/1064027529.db2.gz UWTSWQJDAISSLK-IAGOWNOFSA-N 1 1 470.039 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N(CCO)Cc2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001291467597 1064028615 /nfs/dbraw/zinc/02/86/15/1064028615.db2.gz ZSUIMTWOQRUGCK-RDPSFJRHSA-N 1 1 459.660 2.998 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001295980066 1064029091 /nfs/dbraw/zinc/02/90/91/1064029091.db2.gz NWPXVNVOAOHETO-ZIAGYGMSSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001295980066 1064029099 /nfs/dbraw/zinc/02/90/99/1064029099.db2.gz NWPXVNVOAOHETO-ZIAGYGMSSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001295980066 1064029104 /nfs/dbraw/zinc/02/91/04/1064029104.db2.gz NWPXVNVOAOHETO-ZIAGYGMSSA-N 1 1 476.427 2.634 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001295980101 1064029135 /nfs/dbraw/zinc/02/91/35/1064029135.db2.gz QJLPJMLWTJKYNH-WOJBJXKFSA-N 1 1 485.633 2.678 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295980169 1064029612 /nfs/dbraw/zinc/02/96/12/1064029612.db2.gz QUCIOBDPSOFPLP-UXHICEINSA-N 1 1 454.619 2.993 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295980168 1064029648 /nfs/dbraw/zinc/02/96/48/1064029648.db2.gz QUCIOBDPSOFPLP-PMACEKPBSA-N 1 1 454.619 2.993 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1nc(C)cc1C ZINC001291469759 1064030242 /nfs/dbraw/zinc/03/02/42/1064030242.db2.gz GYALCHJSGGSUFV-SFYKDHMMSA-N 1 1 470.666 2.684 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@H]1C ZINC001295980439 1064030513 /nfs/dbraw/zinc/03/05/13/1064030513.db2.gz ZAWZZFUQHBEIFT-RTBURBONSA-N 1 1 468.627 2.905 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001295980573 1064030608 /nfs/dbraw/zinc/03/06/08/1064030608.db2.gz ZOAWYPSXFFFYQN-ZWKOTPCHSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001295980573 1064030620 /nfs/dbraw/zinc/03/06/20/1064030620.db2.gz ZOAWYPSXFFFYQN-ZWKOTPCHSA-N 1 1 461.632 2.697 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001291470364 1064031035 /nfs/dbraw/zinc/03/10/35/1064031035.db2.gz PAIPPGVICKRYTR-YQVWRLOYSA-N 1 1 488.706 2.978 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470921 1064032378 /nfs/dbraw/zinc/03/23/78/1064032378.db2.gz XDONRGYMLPMNEU-NLWGTHIKSA-N 1 1 459.664 2.870 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001291471051 1064032899 /nfs/dbraw/zinc/03/28/99/1064032899.db2.gz YLUXQXGLBMCJIV-PLLWHPLTSA-N 1 1 459.660 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001295981781 1064033149 /nfs/dbraw/zinc/03/31/49/1064033149.db2.gz RQLHGYWKWYXQQJ-XWSJACJDSA-N 1 1 476.588 2.805 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCOC[C@@H]1CCCO1 ZINC001291471087 1064033395 /nfs/dbraw/zinc/03/33/95/1064033395.db2.gz YVTYJBLXKIVZCC-HIGZBPRKSA-N 1 1 490.693 2.756 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471093 1064033419 /nfs/dbraw/zinc/03/34/19/1064033419.db2.gz YWPJVZTVBLRQJC-TUNNFDKTSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001295982246 1064034169 /nfs/dbraw/zinc/03/41/69/1064034169.db2.gz WWSWNOCXGBVQTF-UAVUOLJFSA-N 1 1 458.607 2.551 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295982147 1064034251 /nfs/dbraw/zinc/03/42/51/1064034251.db2.gz WKBPQGSGTJRQHI-JKSUJKDBSA-N 1 1 468.693 2.843 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291476827 1064035193 /nfs/dbraw/zinc/03/51/93/1064035193.db2.gz XAXXLSJRSCONTA-UKDJSQQHSA-N 1 1 462.683 2.838 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C ZINC001295982636 1064035736 /nfs/dbraw/zinc/03/57/36/1064035736.db2.gz XKUXDDHZAFPCNB-DLBZAZTESA-N 1 1 490.052 2.553 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295983085 1064037557 /nfs/dbraw/zinc/03/75/57/1064037557.db2.gz HFXAIHJCNMPSDI-QZTJIDSGSA-N 1 1 468.606 2.837 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295983083 1064037634 /nfs/dbraw/zinc/03/76/34/1064037634.db2.gz HFXAIHJCNMPSDI-MSOLQXFVSA-N 1 1 468.606 2.837 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)C[C@@H]1C ZINC001295983213 1064038496 /nfs/dbraw/zinc/03/84/96/1064038496.db2.gz ZKCQJYMJTCOSAX-CNNODRBYSA-N 1 1 497.644 2.501 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001295983886 1064040188 /nfs/dbraw/zinc/04/01/88/1064040188.db2.gz XMZRDRGTOZXWFS-QYZOEREBSA-N 1 1 490.674 2.548 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001295984050 1064040730 /nfs/dbraw/zinc/04/07/30/1064040730.db2.gz KIVRTGVDJFGENU-HLLBOEOZSA-N 1 1 491.434 2.914 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001295984239 1064041419 /nfs/dbraw/zinc/04/14/19/1064041419.db2.gz YITHLWMBGBKEHH-BZSNNMDCSA-N 1 1 480.704 2.886 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291484627 1064041511 /nfs/dbraw/zinc/04/15/11/1064041511.db2.gz CEXHQALFWKNXIB-GOSISDBHSA-N 1 1 487.615 2.714 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001295985486 1064042348 /nfs/dbraw/zinc/04/23/48/1064042348.db2.gz RGEYWRANCHTEJM-DLBZAZTESA-N 1 1 469.055 2.847 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001295990136 1064045013 /nfs/dbraw/zinc/04/50/13/1064045013.db2.gz FCQRYGDNFGQRPE-RCCFBDPRSA-N 1 1 481.066 2.941 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295990174 1064045345 /nfs/dbraw/zinc/04/53/45/1064045345.db2.gz FGZJOXPOJXMEQL-IAGOWNOFSA-N 1 1 489.671 2.607 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492173 1064045365 /nfs/dbraw/zinc/04/53/65/1064045365.db2.gz SEMCMBLPFVIBQI-RTWAWAEBSA-N 1 1 454.619 2.751 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001295991805 1064046839 /nfs/dbraw/zinc/04/68/39/1064046839.db2.gz BOPKQXZKUCDDQL-ZWKOTPCHSA-N 1 1 467.618 2.926 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291494182 1064046887 /nfs/dbraw/zinc/04/68/87/1064046887.db2.gz WIHAKAMUTWLEON-QVKFZJNVSA-N 1 1 487.571 2.880 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@@H]1C ZINC001295993420 1064048717 /nfs/dbraw/zinc/04/87/17/1064048717.db2.gz SBEYGPXWTRTNJP-BBTUJRGHSA-N 1 1 465.577 2.742 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001295993421 1064048822 /nfs/dbraw/zinc/04/88/22/1064048822.db2.gz SBEYGPXWTRTNJP-LQWHRVPQSA-N 1 1 465.577 2.742 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295994070 1064049724 /nfs/dbraw/zinc/04/97/24/1064049724.db2.gz IULLLQRCFDVLGN-MOPGFXCFSA-N 1 1 451.575 2.728 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@H]1C ZINC001295994236 1064050190 /nfs/dbraw/zinc/05/01/90/1064050190.db2.gz VBZIJTBJWBFACV-RTBURBONSA-N 1 1 466.586 2.687 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001295994447 1064050216 /nfs/dbraw/zinc/05/02/16/1064050216.db2.gz GOVPGYPKQJILGR-RBUKOAKNSA-N 1 1 462.664 2.764 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001291498618 1064050668 /nfs/dbraw/zinc/05/06/68/1064050668.db2.gz TXJMBBYOQTYAOC-JJVXONKQSA-N 1 1 492.734 2.863 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291501564 1064052151 /nfs/dbraw/zinc/05/21/51/1064052151.db2.gz REUUCBVJXAIFRQ-LJQANCHMSA-N 1 1 486.752 2.727 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001295996486 1064052661 /nfs/dbraw/zinc/05/26/61/1064052661.db2.gz LIUBDGWNSNAECO-AOIWGVFYSA-N 1 1 459.591 2.775 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001295996487 1064052802 /nfs/dbraw/zinc/05/28/02/1064052802.db2.gz LIUBDGWNSNAECO-JENIJYKNSA-N 1 1 459.591 2.775 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001295997828 1064054201 /nfs/dbraw/zinc/05/42/01/1064054201.db2.gz SJBGHBZIFWDMKT-ZRNYENFQSA-N 1 1 470.618 2.872 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001291503614 1064054870 /nfs/dbraw/zinc/05/48/70/1064054870.db2.gz BKWABTYKYUMINI-LJQANCHMSA-N 1 1 474.675 2.616 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291504870 1064056503 /nfs/dbraw/zinc/05/65/03/1064056503.db2.gz YVNXTUXREXGPAM-OAQYLSRUSA-N 1 1 482.677 2.751 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001296000358 1064056945 /nfs/dbraw/zinc/05/69/45/1064056945.db2.gz CJKQGEBRDYVRMH-RTBURBONSA-N 1 1 480.654 2.599 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001296000802 1064057166 /nfs/dbraw/zinc/05/71/66/1064057166.db2.gz FAHNZOCKDNNYPI-PMACEKPBSA-N 1 1 477.613 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001296001198 1064057566 /nfs/dbraw/zinc/05/75/66/1064057566.db2.gz GIDYNTAKJWDSMI-UXHICEINSA-N 1 1 453.635 2.831 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296002733 1064058034 /nfs/dbraw/zinc/05/80/34/1064058034.db2.gz NSDYXNNRXZPDMM-DYXWJJEUSA-N 1 1 495.594 2.836 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291508432 1064059936 /nfs/dbraw/zinc/05/99/36/1064059936.db2.gz MCNBHQLMOUNRRH-SFTDATJTSA-N 1 1 459.683 2.656 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296007647 1064061181 /nfs/dbraw/zinc/06/11/81/1064061181.db2.gz FMBJPCRNCGONAB-FDFHNCONSA-N 1 1 456.635 2.539 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001291509861 1064061233 /nfs/dbraw/zinc/06/12/33/1064061233.db2.gz KNDVKIFMADRHBO-FQEVSTJZSA-N 1 1 459.683 2.832 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296007649 1064061394 /nfs/dbraw/zinc/06/13/94/1064061394.db2.gz FMBJPCRNCGONAB-FSSWDIPSSA-N 1 1 456.635 2.539 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001296009428 1064064288 /nfs/dbraw/zinc/06/42/88/1064064288.db2.gz GEUHWJUYQVNXDX-MOPGFXCFSA-N 1 1 470.618 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296009801 1064066240 /nfs/dbraw/zinc/06/62/40/1064066240.db2.gz IGSKEPOUGHRQFL-MSOLQXFVSA-N 1 1 458.582 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296009756 1064066487 /nfs/dbraw/zinc/06/64/87/1064066487.db2.gz MXAZYXZPKWPDPF-BHIFYINESA-N 1 1 470.662 2.712 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001296009811 1064066886 /nfs/dbraw/zinc/06/68/86/1064066886.db2.gz IHENTXCBQOWWQC-HUUCEWRRSA-N 1 1 474.660 2.591 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296010016 1064067289 /nfs/dbraw/zinc/06/72/89/1064067289.db2.gz JQVQLAADWZVIHE-WOJBJXKFSA-N 1 1 474.654 2.973 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291514427 1064067708 /nfs/dbraw/zinc/06/77/08/1064067708.db2.gz SNBQGVRARBNONI-HKUYNNGSSA-N 1 1 454.685 2.820 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C[C@H]1C ZINC001296010713 1064069275 /nfs/dbraw/zinc/06/92/75/1064069275.db2.gz CTHCQUOVWYGQQT-NJYVYQBISA-N 1 1 472.634 2.505 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001296010876 1064070030 /nfs/dbraw/zinc/07/00/30/1064070030.db2.gz MZXMNDBUIYLGBC-PMACEKPBSA-N 1 1 496.660 2.898 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296010865 1064070091 /nfs/dbraw/zinc/07/00/91/1064070091.db2.gz MYOKQDXRPVEYKO-OALUTQOASA-N 1 1 499.626 2.984 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001296010879 1064070239 /nfs/dbraw/zinc/07/02/39/1064070239.db2.gz MZXMNDBUIYLGBC-WOJBJXKFSA-N 1 1 496.660 2.898 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011352 1064070981 /nfs/dbraw/zinc/07/09/81/1064070981.db2.gz VEGDNXZMDUDKFP-DNQXCXABSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011352 1064070992 /nfs/dbraw/zinc/07/09/92/1064070992.db2.gz VEGDNXZMDUDKFP-DNQXCXABSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@@H]1C ZINC001296011435 1064071660 /nfs/dbraw/zinc/07/16/60/1064071660.db2.gz OYDDXNGXFQBKCK-ZWKOTPCHSA-N 1 1 453.616 2.826 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296013613 1064074409 /nfs/dbraw/zinc/07/44/09/1064074409.db2.gz OIAVSHUQTYOLNI-NVJIOZQYSA-N 1 1 476.666 2.760 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296015258 1064077267 /nfs/dbraw/zinc/07/72/67/1064077267.db2.gz RKFIVACYSARHNS-UFYCRDLUSA-N 1 1 492.665 2.811 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@]2(O)CCSC2)C[C@H]1C ZINC001296015317 1064077516 /nfs/dbraw/zinc/07/75/16/1064077516.db2.gz RVEKQQCDVVHUMX-IEGUWTFLSA-N 1 1 461.632 2.653 20 0 JFADMO CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296015309 1064077759 /nfs/dbraw/zinc/07/77/59/1064077759.db2.gz RUMUVZAVVYUVCX-PLACYPQZSA-N 1 1 498.738 2.787 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@H]1C ZINC001296017272 1064078646 /nfs/dbraw/zinc/07/86/46/1064078646.db2.gz XKYXMVAENAHETL-RTBURBONSA-N 1 1 482.658 2.951 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296017271 1064078798 /nfs/dbraw/zinc/07/87/98/1064078798.db2.gz XKYXMVAENAHETL-RBUKOAKNSA-N 1 1 482.658 2.951 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001291539149 1064080624 /nfs/dbraw/zinc/08/06/24/1064080624.db2.gz ADVZSWIRAPHNAX-AZUAARDMSA-N 1 1 463.652 2.781 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCCn1cc[nH+]c1C ZINC001291539152 1064080929 /nfs/dbraw/zinc/08/09/29/1064080929.db2.gz ADVZSWIRAPHNAX-UYAOXDASSA-N 1 1 463.652 2.781 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 ZINC001296032690 1064090157 /nfs/dbraw/zinc/09/01/57/1064090157.db2.gz BQOGSDNHLXDDET-ONTIZHBOSA-N 1 1 470.618 2.729 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001291552864 1064090428 /nfs/dbraw/zinc/09/04/28/1064090428.db2.gz YVLQQUNUTFKFKP-OAHLLOKOSA-N 1 1 451.511 2.634 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3Cl)CC2)C1 ZINC001296032938 1064090633 /nfs/dbraw/zinc/09/06/33/1064090633.db2.gz GORNBYXSDHRFIE-SFHVURJKSA-N 1 1 460.026 2.738 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC001296033069 1064090971 /nfs/dbraw/zinc/09/09/71/1064090971.db2.gz JBIXBAYEVACRHY-PMACEKPBSA-N 1 1 490.674 2.758 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001296033939 1064092127 /nfs/dbraw/zinc/09/21/27/1064092127.db2.gz PJGQGUBMJHLRGQ-INIZCTEOSA-N 1 1 454.966 2.952 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C[C@@H]1C ZINC001296033719 1064092208 /nfs/dbraw/zinc/09/22/08/1064092208.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 1 1 474.053 2.734 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C[C@@H]1C ZINC001296033719 1064092210 /nfs/dbraw/zinc/09/22/10/1064092210.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 1 1 474.053 2.734 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291560267 1064092380 /nfs/dbraw/zinc/09/23/80/1064092380.db2.gz QVNORTLBRZZSIJ-FCHUYYIVSA-N 1 1 461.699 2.760 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034587 1064093054 /nfs/dbraw/zinc/09/30/54/1064093054.db2.gz VWUPJKSPNFLFAH-RDJZCZTQSA-N 1 1 488.580 2.885 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001296034945 1064093456 /nfs/dbraw/zinc/09/34/56/1064093456.db2.gz ZWAKDDHSHZJZCI-IBGZPJMESA-N 1 1 483.020 2.672 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001296035000 1064093921 /nfs/dbraw/zinc/09/39/21/1064093921.db2.gz ACBJPNBXXSHOKR-HUUCEWRRSA-N 1 1 479.398 2.855 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001296035324 1064094293 /nfs/dbraw/zinc/09/42/93/1064094293.db2.gz CURQVPMZPYYEED-MRXNPFEDSA-N 1 1 481.428 2.889 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001296035323 1064094354 /nfs/dbraw/zinc/09/43/54/1064094354.db2.gz CURQVPMZPYYEED-INIZCTEOSA-N 1 1 481.428 2.889 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291566923 1064094507 /nfs/dbraw/zinc/09/45/07/1064094507.db2.gz FTSWVMYKFHCUKC-RBUKOAKNSA-N 1 1 452.669 2.528 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296035847 1064094854 /nfs/dbraw/zinc/09/48/54/1064094854.db2.gz GFKHHQRJIWZEPZ-AEFFLSMTSA-N 1 1 496.475 2.981 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCc1nnc(C)s1 ZINC001291568305 1064095513 /nfs/dbraw/zinc/09/55/13/1064095513.db2.gz MEIFDNLBHNMGDM-SFHVURJKSA-N 1 1 474.679 2.719 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCc1nnc(C)s1 ZINC001291568305 1064095522 /nfs/dbraw/zinc/09/55/22/1064095522.db2.gz MEIFDNLBHNMGDM-SFHVURJKSA-N 1 1 474.679 2.719 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001296037965 1064098292 /nfs/dbraw/zinc/09/82/92/1064098292.db2.gz NJVAGXVIHYRKMY-FUHWJXTLSA-N 1 1 462.545 2.945 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001296038585 1064099049 /nfs/dbraw/zinc/09/90/49/1064099049.db2.gz QMIXDIJNHWQADH-JKSUJKDBSA-N 1 1 485.029 2.550 20 0 JFADMO C[C@@H](C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001291576859 1064099812 /nfs/dbraw/zinc/09/98/12/1064099812.db2.gz NCGRQSYXBJSASP-KRWDZBQOSA-N 1 1 454.612 2.833 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001296039741 1064099861 /nfs/dbraw/zinc/09/98/61/1064099861.db2.gz SUEVIDSRUWPKNZ-AZUAARDMSA-N 1 1 491.658 2.706 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(=O)NC)C2)C1 ZINC001296041149 1064101374 /nfs/dbraw/zinc/10/13/74/1064101374.db2.gz YRGOSBCHSSSRHU-AEFFLSMTSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001296041374 1064101743 /nfs/dbraw/zinc/10/17/43/1064101743.db2.gz CBJMJHQWCNUVOJ-IAGOWNOFSA-N 1 1 478.544 2.817 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001296042217 1064101861 /nfs/dbraw/zinc/10/18/61/1064101861.db2.gz ITDJEYLYFTUXTB-KRWDZBQOSA-N 1 1 465.524 2.577 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001296042831 1064102329 /nfs/dbraw/zinc/10/23/29/1064102329.db2.gz OWMCLYKMCASDQO-INIZCTEOSA-N 1 1 457.520 2.648 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001296042842 1064102353 /nfs/dbraw/zinc/10/23/53/1064102353.db2.gz PBMKCONCVWOJNL-QZTJIDSGSA-N 1 1 451.575 2.760 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001296044266 1064103777 /nfs/dbraw/zinc/10/37/77/1064103777.db2.gz BQLRJUGHMCDYLU-FPOVZHCZSA-N 1 1 485.633 2.960 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001296044722 1064104487 /nfs/dbraw/zinc/10/44/87/1064104487.db2.gz FTRROGADYKZKKL-HSALFYBXSA-N 1 1 492.665 2.932 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296045028 1064105383 /nfs/dbraw/zinc/10/53/83/1064105383.db2.gz ILXZAQXOGCEPLC-QZTJIDSGSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001296045675 1064106163 /nfs/dbraw/zinc/10/61/63/1064106163.db2.gz LIEFXWJDVAMFAL-HBFSDRIKSA-N 1 1 461.632 2.725 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(CCO)Cc2ccc(Br)s2)C1 ZINC001296046815 1064106497 /nfs/dbraw/zinc/10/64/97/1064106497.db2.gz PKHQUMINULLKDR-HZPDHXFCSA-N 1 1 484.464 2.947 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001296048669 1064108370 /nfs/dbraw/zinc/10/83/70/1064108370.db2.gz XZHAMSFDHXAYLW-UFYCRDLUSA-N 1 1 462.639 2.817 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001296049288 1064109238 /nfs/dbraw/zinc/10/92/38/1064109238.db2.gz HQBHYHUVTBLQLX-OAQYLSRUSA-N 1 1 454.619 2.519 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@@H](COC)C2)C1 ZINC001296051521 1064111770 /nfs/dbraw/zinc/11/17/70/1064111770.db2.gz GMZLKVDKDAZUQK-FXAWDEMLSA-N 1 1 494.434 2.813 20 0 JFADMO CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296052122 1064112992 /nfs/dbraw/zinc/11/29/92/1064112992.db2.gz OILLIBQDGCSGTC-RTWAWAEBSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296053431 1064114936 /nfs/dbraw/zinc/11/49/36/1064114936.db2.gz ZLQCPZCRRGNOJO-IBGZPJMESA-N 1 1 458.582 2.785 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296054786 1064115813 /nfs/dbraw/zinc/11/58/13/1064115813.db2.gz CNSCTYJRQJERGM-MRXNPFEDSA-N 1 1 491.522 2.798 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296054785 1064115838 /nfs/dbraw/zinc/11/58/38/1064115838.db2.gz CNSCTYJRQJERGM-INIZCTEOSA-N 1 1 491.522 2.798 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001296056315 1064117563 /nfs/dbraw/zinc/11/75/63/1064117563.db2.gz KJNYNQLPHLAOPK-YADHBBJMSA-N 1 1 472.609 2.990 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296057016 1064118091 /nfs/dbraw/zinc/11/80/91/1064118091.db2.gz QRQWAXNIDPIBCB-GXRSIYKFSA-N 1 1 460.667 2.891 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291584057 1064118121 /nfs/dbraw/zinc/11/81/21/1064118121.db2.gz ZHWCPTTXQNDYFV-FYYLOGMGSA-N 1 1 468.646 2.530 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001296057148 1064118582 /nfs/dbraw/zinc/11/85/82/1064118582.db2.gz SCJDVCJQDZIKFM-GOSISDBHSA-N 1 1 478.638 2.567 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001296057175 1064119041 /nfs/dbraw/zinc/11/90/41/1064119041.db2.gz SRIKTSALUWTCGQ-SLFFLAALSA-N 1 1 462.639 2.599 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296058888 1064121494 /nfs/dbraw/zinc/12/14/94/1064121494.db2.gz DPMMCZFTDOQTHX-UYAOXDASSA-N 1 1 491.036 2.851 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001296059152 1064121760 /nfs/dbraw/zinc/12/17/60/1064121760.db2.gz BAKMMQUGBXWLPH-IAGOWNOFSA-N 1 1 461.408 2.812 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001296059509 1064122230 /nfs/dbraw/zinc/12/22/30/1064122230.db2.gz HNNSENWHEHEGQM-GGPKGHCWSA-N 1 1 476.647 2.723 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccccc1OC ZINC001296059511 1064122590 /nfs/dbraw/zinc/12/25/90/1064122590.db2.gz HNNSENWHEHEGQM-NSHGMRRFSA-N 1 1 476.647 2.723 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291590088 1064123016 /nfs/dbraw/zinc/12/30/16/1064123016.db2.gz OHLYDIYLYICSCU-NRFANRHFSA-N 1 1 474.698 2.546 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291590088 1064123017 /nfs/dbraw/zinc/12/30/17/1064123017.db2.gz OHLYDIYLYICSCU-NRFANRHFSA-N 1 1 474.698 2.546 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291590088 1064123020 /nfs/dbraw/zinc/12/30/20/1064123020.db2.gz OHLYDIYLYICSCU-NRFANRHFSA-N 1 1 474.698 2.546 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F ZINC001296060040 1064124020 /nfs/dbraw/zinc/12/40/20/1064124020.db2.gz KQKHNHHAYCDIIO-GVDBMIGSSA-N 1 1 452.600 2.709 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001296060630 1064125839 /nfs/dbraw/zinc/12/58/39/1064125839.db2.gz DNCGCFYYAHSKED-IBGZPJMESA-N 1 1 456.982 2.891 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296060890 1064126161 /nfs/dbraw/zinc/12/61/61/1064126161.db2.gz OAYBZPLTIDBVDP-XUVXKRRUSA-N 1 1 464.655 2.618 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001296060887 1064126268 /nfs/dbraw/zinc/12/62/68/1064126268.db2.gz OAYBZPLTIDBVDP-VAMGGRTRSA-N 1 1 464.655 2.618 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)OC)CC1 ZINC001296061272 1064126628 /nfs/dbraw/zinc/12/66/28/1064126628.db2.gz JSXHNUOHWKXOCI-GOSISDBHSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296061088 1064126667 /nfs/dbraw/zinc/12/66/67/1064126667.db2.gz JBAHWGVZXLNDDD-RTBURBONSA-N 1 1 458.611 2.656 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296061768 1064127259 /nfs/dbraw/zinc/12/72/59/1064127259.db2.gz XQNMRASVCAEZIL-AEFFLSMTSA-N 1 1 461.408 2.894 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C(=O)NC)CC1 ZINC001296062576 1064128308 /nfs/dbraw/zinc/12/83/08/1064128308.db2.gz RWJLFDBYGFWLER-MRXNPFEDSA-N 1 1 494.413 2.792 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001296063634 1064129996 /nfs/dbraw/zinc/12/99/96/1064129996.db2.gz XDQODKNUDGQRCX-FPOVZHCZSA-N 1 1 489.690 2.609 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296063802 1064130443 /nfs/dbraw/zinc/13/04/43/1064130443.db2.gz ZJNAGVYCTDLTHP-HKUYNNGSSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 ZINC001296066399 1064131701 /nfs/dbraw/zinc/13/17/01/1064131701.db2.gz CSTYEGJOFYADCH-AQNXPRMDSA-N 1 1 478.638 2.544 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001296066623 1064132569 /nfs/dbraw/zinc/13/25/69/1064132569.db2.gz DKLKCVAYUVXBOX-SXLOBPIMSA-N 1 1 489.665 2.843 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCCCO ZINC001296067971 1064133889 /nfs/dbraw/zinc/13/38/89/1064133889.db2.gz LYXIIRMWSTYVDK-WOJBJXKFSA-N 1 1 480.654 2.670 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001296068469 1064134475 /nfs/dbraw/zinc/13/44/75/1064134475.db2.gz PFZGWUWTTFSUME-VQTJNVASSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001296068624 1064134848 /nfs/dbraw/zinc/13/48/48/1064134848.db2.gz QIQBZHVPOUSPAP-ZCNNSNEGSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001296072451 1064136683 /nfs/dbraw/zinc/13/66/83/1064136683.db2.gz CQJKGUGPGWYCCH-FQEVSTJZSA-N 1 1 491.036 2.726 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001296073931 1064139981 /nfs/dbraw/zinc/13/99/81/1064139981.db2.gz LKKDLZFMDHCMAJ-FCHUYYIVSA-N 1 1 454.619 2.661 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296074543 1064140484 /nfs/dbraw/zinc/14/04/84/1064140484.db2.gz LIQYYLJOEUSKCV-OGPYBGEISA-N 1 1 472.659 2.762 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001296074618 1064140830 /nfs/dbraw/zinc/14/08/30/1064140830.db2.gz LSQPWSFUWTXTGX-IRLDBZIGSA-N 1 1 483.661 2.947 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001296074712 1064141551 /nfs/dbraw/zinc/14/15/51/1064141551.db2.gz MFMCMGDXFCDAOZ-FHWLQOOXSA-N 1 1 498.694 2.704 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296074931 1064142095 /nfs/dbraw/zinc/14/20/95/1064142095.db2.gz QQLMQAIGTFCHQX-SIKLNZKXSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 ZINC001296075873 1064143972 /nfs/dbraw/zinc/14/39/72/1064143972.db2.gz XWRHOBBLDCRBJH-FQEVSTJZSA-N 1 1 454.619 2.965 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296076479 1064145034 /nfs/dbraw/zinc/14/50/34/1064145034.db2.gz XCESBIDIPNICQJ-SFTDATJTSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001296079077 1064146064 /nfs/dbraw/zinc/14/60/64/1064146064.db2.gz BTJFISWDQCNALX-UGKGYDQZSA-N 1 1 459.639 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079642 1064147291 /nfs/dbraw/zinc/14/72/91/1064147291.db2.gz HJTOLBUZAVBLSB-UNMCSNQZSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001296080215 1064147613 /nfs/dbraw/zinc/14/76/13/1064147613.db2.gz LEPREPJUWISWFE-OTWHNJEPSA-N 1 1 470.684 2.547 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296081431 1064149280 /nfs/dbraw/zinc/14/92/80/1064149280.db2.gz UBZVWYUHDRXRJF-MJGOQNOKSA-N 1 1 450.591 2.910 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082047 1064149819 /nfs/dbraw/zinc/14/98/19/1064149819.db2.gz ZTUNJVACRADCHJ-PMACEKPBSA-N 1 1 488.608 2.727 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296083468 1064151329 /nfs/dbraw/zinc/15/13/29/1064151329.db2.gz FOEMZGLHFXIQFF-MSOLQXFVSA-N 1 1 456.595 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614182 1064151346 /nfs/dbraw/zinc/15/13/46/1064151346.db2.gz IINSLPAKGOOZIF-AQNXPRMDSA-N 1 1 456.639 2.716 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291614505 1064151737 /nfs/dbraw/zinc/15/17/37/1064151737.db2.gz LVSFUKQPBYFHFR-OAQYLSRUSA-N 1 1 469.682 2.634 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296086392 1064154392 /nfs/dbraw/zinc/15/43/92/1064154392.db2.gz IESKAMCIESRKBV-VAMGGRTRSA-N 1 1 491.681 2.967 20 0 JFADMO CC[NH+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296086881 1064154980 /nfs/dbraw/zinc/15/49/80/1064154980.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[NH+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296086881 1064154984 /nfs/dbraw/zinc/15/49/84/1064154984.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296086881 1064154991 /nfs/dbraw/zinc/15/49/91/1064154991.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296086881 1064154999 /nfs/dbraw/zinc/15/49/99/1064154999.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1CC[N@@H+](CC)C(C)C ZINC001291621547 1064161960 /nfs/dbraw/zinc/16/19/60/1064161960.db2.gz VFCKPROPIPXXJU-OALUTQOASA-N 1 1 454.627 2.675 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622321 1064162949 /nfs/dbraw/zinc/16/29/49/1064162949.db2.gz VKKRWRFPFRJACY-MSOLQXFVSA-N 1 1 455.607 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296091754 1064163085 /nfs/dbraw/zinc/16/30/85/1064163085.db2.gz BPZOVAXPZKOZKT-PZJWPPBQSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296094662 1064166688 /nfs/dbraw/zinc/16/66/88/1064166688.db2.gz CTOVDTPBLACOSN-FUPPJEDESA-N 1 1 485.629 2.709 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001296095037 1064167559 /nfs/dbraw/zinc/16/75/59/1064167559.db2.gz GMPUVHCRCFBKKU-UFYCRDLUSA-N 1 1 489.665 2.891 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291626865 1064167646 /nfs/dbraw/zinc/16/76/46/1064167646.db2.gz BCQCAWWSLQDWIF-MRXNPFEDSA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291626865 1064167652 /nfs/dbraw/zinc/16/76/52/1064167652.db2.gz BCQCAWWSLQDWIF-MRXNPFEDSA-N 1 1 464.552 2.925 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095277 1064168354 /nfs/dbraw/zinc/16/83/54/1064168354.db2.gz GFNYVBVLVVFQGS-HFSMHLIXSA-N 1 1 476.647 2.849 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095378 1064168577 /nfs/dbraw/zinc/16/85/77/1064168577.db2.gz IMAWYVAWZARIFN-QUCCMNQESA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001296095624 1064168623 /nfs/dbraw/zinc/16/86/23/1064168623.db2.gz JFCPSYVDSRRYDI-NRFANRHFSA-N 1 1 470.666 2.830 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296096063 1064169641 /nfs/dbraw/zinc/16/96/41/1064169641.db2.gz LITOCJFIWIBCCP-QIJUGHKUSA-N 1 1 459.591 2.590 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296098368 1064171217 /nfs/dbraw/zinc/17/12/17/1064171217.db2.gz XKHOTUBTGAMCOI-UUOWRZLLSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001291630262 1064175909 /nfs/dbraw/zinc/17/59/09/1064175909.db2.gz RYXCZEIZIAZPTM-NHCUHLMSSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001291631516 1064178712 /nfs/dbraw/zinc/17/87/12/1064178712.db2.gz WBUPZAXMFXNHDP-VXKWHMMOSA-N 1 1 459.683 2.801 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001291633186 1064182691 /nfs/dbraw/zinc/18/26/91/1064182691.db2.gz RELLRZAKOAMYAS-WZYRSQIMSA-N 1 1 473.710 2.950 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001296105872 1064184524 /nfs/dbraw/zinc/18/45/24/1064184524.db2.gz NAENMHQGWIMBJK-SFHVURJKSA-N 1 1 461.010 2.504 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291638449 1064185735 /nfs/dbraw/zinc/18/57/35/1064185735.db2.gz MWTKQZLPGAFUNV-RXVVDRJESA-N 1 1 461.680 2.726 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639694 1064187488 /nfs/dbraw/zinc/18/74/88/1064187488.db2.gz OCCZRUCMYACDPO-MOPGFXCFSA-N 1 1 476.588 2.949 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001296110568 1064189448 /nfs/dbraw/zinc/18/94/48/1064189448.db2.gz ODULPAULXYCILZ-HSZRJFAPSA-N 1 1 468.646 2.593 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643399 1064193776 /nfs/dbraw/zinc/19/37/76/1064193776.db2.gz OPLLMMQJIQCFAE-PCCBWWKXSA-N 1 1 480.723 2.754 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001291643129 1064193787 /nfs/dbraw/zinc/19/37/87/1064193787.db2.gz NMAIDARUTLXDNT-OAHLLOKOSA-N 1 1 467.517 2.938 20 0 JFADMO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001296114529 1064195400 /nfs/dbraw/zinc/19/54/00/1064195400.db2.gz YQSFJCHPHKPDIE-ISKFKSNPSA-N 1 1 453.558 2.624 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)O)CC2)CC1 ZINC001296119393 1064204293 /nfs/dbraw/zinc/20/42/93/1064204293.db2.gz SNQOIMJJBKUNCO-UHFFFAOYSA-N 1 1 498.672 2.707 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651288 1064204737 /nfs/dbraw/zinc/20/47/37/1064204737.db2.gz XISIHYWITBDPHL-QYZOEREBSA-N 1 1 450.628 2.815 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651288 1064204745 /nfs/dbraw/zinc/20/47/45/1064204745.db2.gz XISIHYWITBDPHL-QYZOEREBSA-N 1 1 450.628 2.815 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296119528 1064205229 /nfs/dbraw/zinc/20/52/29/1064205229.db2.gz FTGYYOZUTLZOOT-HXUWFJFHSA-N 1 1 470.618 2.656 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120078 1064207889 /nfs/dbraw/zinc/20/78/89/1064207889.db2.gz DJRZTKJWUAXVKU-IEBWSBKVSA-N 1 1 464.561 2.798 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296120274 1064209074 /nfs/dbraw/zinc/20/90/74/1064209074.db2.gz NSYJMJIUKRIECY-FQEVSTJZSA-N 1 1 484.645 2.501 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120564 1064210580 /nfs/dbraw/zinc/21/05/80/1064210580.db2.gz JOQDHXTWRXCZNC-SJLPKXTDSA-N 1 1 480.455 2.677 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291672383 1064214158 /nfs/dbraw/zinc/21/41/58/1064214158.db2.gz QVHVLUKGDZZUBV-CVDCTZTESA-N 1 1 468.646 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296122567 1064215014 /nfs/dbraw/zinc/21/50/14/1064215014.db2.gz XTMPBYDRNBDXNL-YOSAUDMPSA-N 1 1 486.661 2.850 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124394 1064217144 /nfs/dbraw/zinc/21/71/44/1064217144.db2.gz HBQMDHJZKXTPSW-MRXNPFEDSA-N 1 1 470.540 2.987 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124847 1064217788 /nfs/dbraw/zinc/21/77/88/1064217788.db2.gz JWZSWEDJZCBPBG-SFHVURJKSA-N 1 1 474.053 2.587 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125158 1064217811 /nfs/dbraw/zinc/21/78/11/1064217811.db2.gz LCQJTNDUBREEPV-HXUWFJFHSA-N 1 1 487.649 2.787 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001296124880 1064217881 /nfs/dbraw/zinc/21/78/81/1064217881.db2.gz KFENFFLPIPZVHN-VSKRKVRLSA-N 1 1 456.635 2.520 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291687935 1064218053 /nfs/dbraw/zinc/21/80/53/1064218053.db2.gz KJBAYRABDVQVIP-XMODTWTHSA-N 1 1 462.639 2.694 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127251 1064221651 /nfs/dbraw/zinc/22/16/51/1064221651.db2.gz UJBIDJHUSOAUMY-RDABAPPSSA-N 1 1 497.688 2.863 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128042 1064222024 /nfs/dbraw/zinc/22/20/24/1064222024.db2.gz XJDOERKBFNNASU-LEWJYISDSA-N 1 1 498.676 2.812 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128324 1064222316 /nfs/dbraw/zinc/22/23/16/1064222316.db2.gz YBPCJWQIYHOAEH-DLBZAZTESA-N 1 1 494.471 2.945 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128054 1064222400 /nfs/dbraw/zinc/22/24/00/1064222400.db2.gz XLQUUMHXIKKNIL-JOCHJYFZSA-N 1 1 481.689 2.974 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128328 1064222469 /nfs/dbraw/zinc/22/24/69/1064222469.db2.gz YBPCJWQIYHOAEH-SJORKVTESA-N 1 1 494.471 2.945 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129610 1064222886 /nfs/dbraw/zinc/22/28/86/1064222886.db2.gz AYJPWFCPULZGOJ-YADHBBJMSA-N 1 1 456.635 2.632 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129855 1064223329 /nfs/dbraw/zinc/22/33/29/1064223329.db2.gz BZNVUJPIVSYGSX-RBBKRZOGSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129850 1064223348 /nfs/dbraw/zinc/22/33/48/1064223348.db2.gz BWUFLCTXADHCBB-HXUWFJFHSA-N 1 1 451.619 2.987 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131632 1064226382 /nfs/dbraw/zinc/22/63/82/1064226382.db2.gz MKJMAQXOJYTRED-QFIPXVFZSA-N 1 1 483.709 2.626 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131915 1064227551 /nfs/dbraw/zinc/22/75/51/1064227551.db2.gz NAZGQJGAFHXTEQ-HSALFYBXSA-N 1 1 488.599 2.746 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291723648 1064229381 /nfs/dbraw/zinc/22/93/81/1064229381.db2.gz XVLIXGHIKSYJNM-PWRODBHTSA-N 1 1 494.681 2.916 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132803 1064231662 /nfs/dbraw/zinc/23/16/62/1064231662.db2.gz CYZYWXKEYBFIJX-CQSZACIVSA-N 1 1 462.400 2.539 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133360 1064233595 /nfs/dbraw/zinc/23/35/95/1064233595.db2.gz TVOKQEGBWGJKPR-VQTJNVASSA-N 1 1 475.682 2.923 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291752338 1064235206 /nfs/dbraw/zinc/23/52/06/1064235206.db2.gz IHWCACBDORNLFF-SFHVURJKSA-N 1 1 475.588 2.849 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134257 1064235322 /nfs/dbraw/zinc/23/53/22/1064235322.db2.gz XMYLWBHHCBIKOJ-QGZVFWFLSA-N 1 1 475.579 2.594 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134300 1064235360 /nfs/dbraw/zinc/23/53/60/1064235360.db2.gz XYUCCZYGMOHPHP-FGZHOGPDSA-N 1 1 455.651 2.662 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134380 1064235727 /nfs/dbraw/zinc/23/57/27/1064235727.db2.gz OJZLZSOAXGWMAM-RTBURBONSA-N 1 1 491.731 2.627 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001291754940 1064237410 /nfs/dbraw/zinc/23/74/10/1064237410.db2.gz YMUZNKKBEVGSCZ-RBUKOAKNSA-N 1 1 474.679 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291758603 1064238133 /nfs/dbraw/zinc/23/81/33/1064238133.db2.gz ASWNTNMETHHPDQ-AZUAARDMSA-N 1 1 469.590 2.518 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCOC)cc2)C[C@H]1C ZINC001296135739 1064240112 /nfs/dbraw/zinc/24/01/12/1064240112.db2.gz AMRKPIMXYFQRQN-HXUWFJFHSA-N 1 1 470.618 2.508 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291759751 1064240436 /nfs/dbraw/zinc/24/04/36/1064240436.db2.gz KAWKSGQRCCKXIA-FQEVSTJZSA-N 1 1 496.660 2.885 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001296136136 1064240827 /nfs/dbraw/zinc/24/08/27/1064240827.db2.gz DIKAOQUHADBSCK-MRXNPFEDSA-N 1 1 481.523 2.537 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001291760060 1064241308 /nfs/dbraw/zinc/24/13/08/1064241308.db2.gz NIMFDYXAFJJPJT-MOPGFXCFSA-N 1 1 463.671 2.525 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cccc(Cl)c3n2C)C[C@H]1C ZINC001296136326 1064241435 /nfs/dbraw/zinc/24/14/35/1064241435.db2.gz HJLUCRAWQOCQQB-OAHLLOKOSA-N 1 1 458.998 2.535 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001291760156 1064241770 /nfs/dbraw/zinc/24/17/70/1064241770.db2.gz KBFKQXXGEKAEKH-GHTZIAJQSA-N 1 1 492.690 2.787 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241787 /nfs/dbraw/zinc/24/17/87/1064241787.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 1 1 467.662 2.511 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241790 /nfs/dbraw/zinc/24/17/90/1064241790.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 1 1 467.662 2.511 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761832 1064242773 /nfs/dbraw/zinc/24/27/73/1064242773.db2.gz VSAOXXODJIQUEZ-MSOLQXFVSA-N 1 1 461.586 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001291763451 1064244271 /nfs/dbraw/zinc/24/42/71/1064244271.db2.gz XCPCQZIPMLPILM-SFHVURJKSA-N 1 1 490.052 2.502 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291763376 1064244334 /nfs/dbraw/zinc/24/43/34/1064244334.db2.gz WHZMYIQVWFCFOU-ABSDTBQOSA-N 1 1 494.482 2.923 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291763925 1064244718 /nfs/dbraw/zinc/24/47/18/1064244718.db2.gz YPHNZRGOUCKJLU-YLJYHZDGSA-N 1 1 458.607 2.798 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245038 /nfs/dbraw/zinc/24/50/38/1064245038.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 1 1 453.635 2.565 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245043 /nfs/dbraw/zinc/24/50/43/1064245043.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 1 1 453.635 2.565 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291764003 1064245186 /nfs/dbraw/zinc/24/51/86/1064245186.db2.gz AGBMOSMMNXZRAQ-BXKMTCNYSA-N 1 1 458.607 2.655 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245759 /nfs/dbraw/zinc/24/57/59/1064245759.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 1 1 453.635 2.565 20 0 JFADMO CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245768 /nfs/dbraw/zinc/24/57/68/1064245768.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 1 1 453.635 2.565 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001296141181 1064247180 /nfs/dbraw/zinc/24/71/80/1064247180.db2.gz BGSXTTXBSNMFLX-CPJSRVTESA-N 1 1 473.618 2.937 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296142002 1064248173 /nfs/dbraw/zinc/24/81/73/1064248173.db2.gz HKDUTUYRQQZULP-KRWDZBQOSA-N 1 1 482.585 2.953 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291766678 1064248185 /nfs/dbraw/zinc/24/81/85/1064248185.db2.gz DYLLLMPHPFGVFX-SFTDATJTSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291766678 1064248192 /nfs/dbraw/zinc/24/81/92/1064248192.db2.gz DYLLLMPHPFGVFX-SFTDATJTSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296142314 1064249066 /nfs/dbraw/zinc/24/90/66/1064249066.db2.gz DDADFWDIWIBTAI-FUHWJXTLSA-N 1 1 464.561 2.947 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767893 1064249777 /nfs/dbraw/zinc/24/97/77/1064249777.db2.gz OWSAJQKNDUVKPV-SFTDATJTSA-N 1 1 467.662 2.773 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250077 /nfs/dbraw/zinc/25/00/77/1064250077.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 1 1 454.623 2.576 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250085 /nfs/dbraw/zinc/25/00/85/1064250085.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 1 1 454.623 2.576 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001296143130 1064250439 /nfs/dbraw/zinc/25/04/39/1064250439.db2.gz FYYJXPXJPJWZQX-UYAOXDASSA-N 1 1 478.663 2.505 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 ZINC001291768563 1064251233 /nfs/dbraw/zinc/25/12/33/1064251233.db2.gz XXJUMLMZURCTDK-MRXNPFEDSA-N 1 1 454.579 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001296143063 1064251660 /nfs/dbraw/zinc/25/16/60/1064251660.db2.gz OZQMENAHIGOJAP-AUSIDOKSSA-N 1 1 467.680 2.761 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291771027 1064252660 /nfs/dbraw/zinc/25/26/60/1064252660.db2.gz DJTMGCLUDDXFKA-FOIQADDNSA-N 1 1 457.545 2.939 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001291771265 1064253014 /nfs/dbraw/zinc/25/30/14/1064253014.db2.gz HLYRJKKYTURGIK-DOTOQJQBSA-N 1 1 453.513 2.575 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291771402 1064254265 /nfs/dbraw/zinc/25/42/65/1064254265.db2.gz DOWWTBWVFJGBDF-RTBURBONSA-N 1 1 494.644 2.633 20 0 JFADMO CCn1cnnc1Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296144753 1064254421 /nfs/dbraw/zinc/25/44/21/1064254421.db2.gz VLOVUBVASYLSBP-OAHLLOKOSA-N 1 1 459.396 2.898 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291771964 1064254660 /nfs/dbraw/zinc/25/46/60/1064254660.db2.gz MLARBPGRGDDSLW-SFHVURJKSA-N 1 1 466.565 2.567 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001291772203 1064255112 /nfs/dbraw/zinc/25/51/12/1064255112.db2.gz OUZFBSUMAKYDFV-HNNXBMFYSA-N 1 1 458.517 2.819 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291772329 1064255435 /nfs/dbraw/zinc/25/54/35/1064255435.db2.gz OEMJBXHCOXMSOJ-FHWLQOOXSA-N 1 1 477.654 2.795 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255826 /nfs/dbraw/zinc/25/58/26/1064255826.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 1 1 462.683 2.970 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255835 /nfs/dbraw/zinc/25/58/35/1064255835.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 1 1 462.683 2.970 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255909 /nfs/dbraw/zinc/25/59/09/1064255909.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 1 1 462.683 2.970 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255916 /nfs/dbraw/zinc/25/59/16/1064255916.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 1 1 462.683 2.970 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@H](OC)C1 ZINC001291772488 1064256188 /nfs/dbraw/zinc/25/61/88/1064256188.db2.gz PCLFLZANVZATGV-QZTJIDSGSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001296146265 1064256757 /nfs/dbraw/zinc/25/67/57/1064256757.db2.gz JSKIMYQKFLLQJD-QGZVFWFLSA-N 1 1 458.607 2.798 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291773393 1064258368 /nfs/dbraw/zinc/25/83/68/1064258368.db2.gz GYOOWOTXEGNVAI-AEFFLSMTSA-N 1 1 476.651 2.609 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291773396 1064258382 /nfs/dbraw/zinc/25/83/82/1064258382.db2.gz GYOOWOTXEGNVAI-WMZOPIPTSA-N 1 1 476.651 2.609 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001296147899 1064258775 /nfs/dbraw/zinc/25/87/75/1064258775.db2.gz UIBYYDOUZDAXGS-RTBURBONSA-N 1 1 478.663 2.502 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nccnc2C)C[C@@H]1C ZINC001296148292 1064259290 /nfs/dbraw/zinc/25/92/90/1064259290.db2.gz VSZLXZGFQFNKCW-KRWDZBQOSA-N 1 1 483.020 2.733 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291773682 1064259863 /nfs/dbraw/zinc/25/98/63/1064259863.db2.gz VLWZQSKBPBOHOU-ROUUACIJSA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291773684 1064259900 /nfs/dbraw/zinc/25/99/00/1064259900.db2.gz VLWZQSKBPBOHOU-ZWKOTPCHSA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291773898 1064260653 /nfs/dbraw/zinc/26/06/53/1064260653.db2.gz WBIRHSVKTFAKGO-MOPGFXCFSA-N 1 1 477.679 2.831 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001291773946 1064261313 /nfs/dbraw/zinc/26/13/13/1064261313.db2.gz YEQMCUZUUZSLDR-FQEVSTJZSA-N 1 1 485.658 2.823 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774093 1064261787 /nfs/dbraw/zinc/26/17/87/1064261787.db2.gz LMHIXGRYFRPGFY-VQTJNVASSA-N 1 1 454.619 2.536 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296149831 1064261979 /nfs/dbraw/zinc/26/19/79/1064261979.db2.gz LBAOQKQKPFMHDY-UYAOXDASSA-N 1 1 470.618 2.751 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCOC2=O)C[C@H]1C ZINC001296151240 1064262995 /nfs/dbraw/zinc/26/29/95/1064262995.db2.gz WEOBACGPGWQEEC-MRXNPFEDSA-N 1 1 462.982 2.980 20 0 JFADMO CCN1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001296153693 1064263273 /nfs/dbraw/zinc/26/32/73/1064263273.db2.gz CWPRQRUPRKUBGM-OAQYLSRUSA-N 1 1 465.646 2.997 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001291778325 1064266300 /nfs/dbraw/zinc/26/63/00/1064266300.db2.gz HZQSFSPYGUZMBP-XLIONFOSSA-N 1 1 451.612 2.752 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn32)CC1 ZINC001291778762 1064266735 /nfs/dbraw/zinc/26/67/35/1064266735.db2.gz LWLFGAZBEASJQD-GOSISDBHSA-N 1 1 468.654 2.670 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291778993 1064266920 /nfs/dbraw/zinc/26/69/20/1064266920.db2.gz NPROQJLEDATSDW-FQEVSTJZSA-N 1 1 466.634 2.668 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001296155728 1064267650 /nfs/dbraw/zinc/26/76/50/1064267650.db2.gz SDXZHUQRWNKUFE-HIFRSBDPSA-N 1 1 467.437 2.826 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291779696 1064267857 /nfs/dbraw/zinc/26/78/57/1064267857.db2.gz RXLWINYRKDUOLE-XUVXKRRUSA-N 1 1 480.654 2.932 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001291780758 1064268348 /nfs/dbraw/zinc/26/83/48/1064268348.db2.gz BFEUQXVJPXPJCK-OAQYLSRUSA-N 1 1 461.614 2.957 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C[C@H]1C ZINC001296157474 1064269780 /nfs/dbraw/zinc/26/97/80/1064269780.db2.gz XTKVTIWZMPQJML-GDBMZVCRSA-N 1 1 452.481 2.707 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](COC)OC)C[C@@H]1C ZINC001296158733 1064271687 /nfs/dbraw/zinc/27/16/87/1064271687.db2.gz IRSSFQBBCHJAPI-AZUAARDMSA-N 1 1 480.654 2.584 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001291782625 1064272925 /nfs/dbraw/zinc/27/29/25/1064272925.db2.gz FSRIYMWBVGBPDW-HXUWFJFHSA-N 1 1 456.639 2.552 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001291782585 1064272983 /nfs/dbraw/zinc/27/29/83/1064272983.db2.gz FLGUBMXSHIILSR-HXOBKFHXSA-N 1 1 461.010 2.957 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001291782629 1064273469 /nfs/dbraw/zinc/27/34/69/1064273469.db2.gz FUGPRXMKTVANNV-KNQAVFIVSA-N 1 1 470.618 2.717 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001291782630 1064273493 /nfs/dbraw/zinc/27/34/93/1064273493.db2.gz FUGPRXMKTVANNV-SIKLNZKXSA-N 1 1 470.618 2.717 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001291782785 1064274173 /nfs/dbraw/zinc/27/41/73/1064274173.db2.gz GTQKIPALEPCPHD-YUXAGFNASA-N 1 1 470.618 2.843 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001291783240 1064275187 /nfs/dbraw/zinc/27/51/87/1064275187.db2.gz ZBNZXNPDZCIORN-PZJWPPBQSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)C[C@H]1C ZINC001296162151 1064275526 /nfs/dbraw/zinc/27/55/26/1064275526.db2.gz SOIADGGAFNAEPD-CTNGQTDRSA-N 1 1 485.633 2.755 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001291783330 1064275923 /nfs/dbraw/zinc/27/59/23/1064275923.db2.gz JWVJIYQIZCBTBV-FQEVSTJZSA-N 1 1 499.635 2.622 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162835 1064276742 /nfs/dbraw/zinc/27/67/42/1064276742.db2.gz PYOALTVJKCWYSO-HKBOAZHASA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162835 1064276753 /nfs/dbraw/zinc/27/67/53/1064276753.db2.gz PYOALTVJKCWYSO-HKBOAZHASA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276987 /nfs/dbraw/zinc/27/69/87/1064276987.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276999 /nfs/dbraw/zinc/27/69/99/1064276999.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001296163760 1064279582 /nfs/dbraw/zinc/27/95/82/1064279582.db2.gz YQCXLJAYJNMTNQ-NQIIRXRSSA-N 1 1 461.632 2.696 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2C[C@@]3(CCOC3)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291784669 1064280028 /nfs/dbraw/zinc/28/00/28/1064280028.db2.gz HRXDDUOFWRCMDA-AMDXRBSFSA-N 1 1 479.666 2.823 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001291784912 1064280061 /nfs/dbraw/zinc/28/00/61/1064280061.db2.gz STZZLCCBMCWINA-RLSLOFABSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC ZINC001291785922 1064281529 /nfs/dbraw/zinc/28/15/29/1064281529.db2.gz OCBSOWPMZYYZQZ-ROUUACIJSA-N 1 1 465.643 2.653 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296163937 1064281760 /nfs/dbraw/zinc/28/17/60/1064281760.db2.gz ZNXQAJDJCSCNAN-MJGOQNOKSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001291786199 1064282157 /nfs/dbraw/zinc/28/21/57/1064282157.db2.gz ZEVVWAAJZBDROT-FHWLQOOXSA-N 1 1 460.648 2.863 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296164737 1064282430 /nfs/dbraw/zinc/28/24/30/1064282430.db2.gz BNHYMCPODQFRBH-XLIONFOSSA-N 1 1 474.654 2.831 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296164734 1064282485 /nfs/dbraw/zinc/28/24/85/1064282485.db2.gz BLZYQDPYELGUQT-OAQYLSRUSA-N 1 1 467.618 2.896 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC001296164846 1064283299 /nfs/dbraw/zinc/28/32/99/1064283299.db2.gz DXUFKWPJQGNOEB-QGZVFWFLSA-N 1 1 480.535 2.920 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001291786789 1064283699 /nfs/dbraw/zinc/28/36/99/1064283699.db2.gz VKCHBNOZYWOMMH-PMVMPFDFSA-N 1 1 490.693 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C ZINC001291786494 1064283756 /nfs/dbraw/zinc/28/37/56/1064283756.db2.gz SWHVUAKGBSFMRB-SFTDATJTSA-N 1 1 461.699 2.829 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001291787073 1064284253 /nfs/dbraw/zinc/28/42/53/1064284253.db2.gz XXBPPABZBYQQGR-QGZVFWFLSA-N 1 1 467.661 2.544 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788485 1064285116 /nfs/dbraw/zinc/28/51/16/1064285116.db2.gz HVRPJPNBYBFRAM-ZIAGYGMSSA-N 1 1 455.349 2.673 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788485 1064285123 /nfs/dbraw/zinc/28/51/23/1064285123.db2.gz HVRPJPNBYBFRAM-ZIAGYGMSSA-N 1 1 455.349 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001296166147 1064286061 /nfs/dbraw/zinc/28/60/61/1064286061.db2.gz LREJEAQJURUKDD-SFHVURJKSA-N 1 1 484.626 2.888 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001296166212 1064287076 /nfs/dbraw/zinc/28/70/76/1064287076.db2.gz NAGLIBDIGQEAIZ-GYCJOSAFSA-N 1 1 486.642 2.918 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001296166214 1064287117 /nfs/dbraw/zinc/28/71/17/1064287117.db2.gz NAGLIBDIGQEAIZ-VOIUYBSRSA-N 1 1 486.642 2.918 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166718 1064288506 /nfs/dbraw/zinc/28/85/06/1064288506.db2.gz OYZIHHZOXXBGFL-PMACEKPBSA-N 1 1 473.691 2.920 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296167393 1064290613 /nfs/dbraw/zinc/29/06/13/1064290613.db2.gz SGPRHVUINZIDRR-NRFANRHFSA-N 1 1 467.618 2.896 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001296173238 1064295439 /nfs/dbraw/zinc/29/54/39/1064295439.db2.gz CUAHIZCJDJGHBK-KPFFTGBYSA-N 1 1 498.550 2.917 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC001296173706 1064297844 /nfs/dbraw/zinc/29/78/44/1064297844.db2.gz KKDSSBQWUMCXSV-JOCHJYFZSA-N 1 1 467.662 2.542 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297915 /nfs/dbraw/zinc/29/79/15/1064297915.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 1 1 462.683 2.901 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297929 /nfs/dbraw/zinc/29/79/29/1064297929.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 1 1 462.683 2.901 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064297988 /nfs/dbraw/zinc/29/79/88/1064297988.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 1 1 462.683 2.901 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064298000 /nfs/dbraw/zinc/29/80/00/1064298000.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 1 1 462.683 2.901 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C[C@@H]1C ZINC001296174119 1064300106 /nfs/dbraw/zinc/30/01/06/1064300106.db2.gz NUNUCBDKNSOSCN-YSIASYRMSA-N 1 1 472.638 2.784 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303564 /nfs/dbraw/zinc/30/35/64/1064303564.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 1 1 486.661 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303581 /nfs/dbraw/zinc/30/35/81/1064303581.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 1 1 486.661 2.753 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179133 1064307546 /nfs/dbraw/zinc/30/75/46/1064307546.db2.gz DMSJSOIGIJWRRT-FYYLOGMGSA-N 1 1 456.635 2.575 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(C(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)C1=O ZINC001296179438 1064308671 /nfs/dbraw/zinc/30/86/71/1064308671.db2.gz GJZKJMFBUNWZOW-FQEVSTJZSA-N 1 1 461.655 2.629 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179728 1064309810 /nfs/dbraw/zinc/30/98/10/1064309810.db2.gz HQLNEVYXXWIBFS-RDGATRHJSA-N 1 1 460.667 2.891 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180517 1064311318 /nfs/dbraw/zinc/31/13/18/1064311318.db2.gz NTOXZBIVFDUXAR-IBGZPJMESA-N 1 1 492.043 2.726 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180558 1064311878 /nfs/dbraw/zinc/31/18/78/1064311878.db2.gz NSFGDWJRUXLOFP-MSOLQXFVSA-N 1 1 477.451 2.959 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291804284 1064321068 /nfs/dbraw/zinc/32/10/68/1064321068.db2.gz PRXAXWQOMQRZBV-HXOBKFHXSA-N 1 1 476.025 2.599 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296182879 1064324494 /nfs/dbraw/zinc/32/44/94/1064324494.db2.gz ALKAOAQHQOCAHV-AUSIDOKSSA-N 1 1 488.080 2.977 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296182876 1064324601 /nfs/dbraw/zinc/32/46/01/1064324601.db2.gz AIIMPMJHGQEDPP-SFHVURJKSA-N 1 1 472.041 2.637 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296182989 1064325989 /nfs/dbraw/zinc/32/59/89/1064325989.db2.gz XJQHYVHXWYFYFU-NFBKMPQASA-N 1 1 470.662 2.973 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSC(F)(F)F)C2)CC1 ZINC001296183059 1064326719 /nfs/dbraw/zinc/32/67/19/1064326719.db2.gz YQBCWLZBIXKHCM-SFHVURJKSA-N 1 1 486.612 2.609 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183020 1064326826 /nfs/dbraw/zinc/32/68/26/1064326826.db2.gz YDWFZSWMPAITMC-NRFANRHFSA-N 1 1 456.635 2.758 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183160 1064326851 /nfs/dbraw/zinc/32/68/51/1064326851.db2.gz YWFIPYUAPBALHC-NRFANRHFSA-N 1 1 456.635 2.519 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296185988 1064333511 /nfs/dbraw/zinc/33/35/11/1064333511.db2.gz RQWHWTFQWNMQKM-IEBWSBKVSA-N 1 1 494.482 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOCC2)CC1 ZINC001296186599 1064334201 /nfs/dbraw/zinc/33/42/01/1064334201.db2.gz WWEVBWQLSQYHCD-GOSISDBHSA-N 1 1 477.451 2.818 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190029 1064336808 /nfs/dbraw/zinc/33/68/08/1064336808.db2.gz AZXBNHKRGSTMNH-FYYLOGMGSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812979 1064340909 /nfs/dbraw/zinc/34/09/09/1064340909.db2.gz SJQFQXKDBYXAMD-ZFGGDYGUSA-N 1 1 495.672 2.629 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296191511 1064341246 /nfs/dbraw/zinc/34/12/46/1064341246.db2.gz JDNNIXLHYJCPPY-FQEVSTJZSA-N 1 1 468.625 2.652 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)CC1 ZINC001296192032 1064343288 /nfs/dbraw/zinc/34/32/88/1064343288.db2.gz LLUCVXGBQRLBEA-OAQYLSRUSA-N 1 1 488.725 2.524 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001296191932 1064343435 /nfs/dbraw/zinc/34/34/35/1064343435.db2.gz DASDAKGQQHQLNT-QIJUGHKUSA-N 1 1 477.053 2.722 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291814996 1064343493 /nfs/dbraw/zinc/34/34/93/1064343493.db2.gz BIQRQUIISQKQCR-PMACEKPBSA-N 1 1 453.635 2.879 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296192351 1064345261 /nfs/dbraw/zinc/34/52/61/1064345261.db2.gz FHHAVSGOTKPFAY-HXUWFJFHSA-N 1 1 478.645 2.962 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291816674 1064347088 /nfs/dbraw/zinc/34/70/88/1064347088.db2.gz HKQRHQVVQSCQSX-UQBPGWFLSA-N 1 1 472.609 2.614 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)CC1 ZINC001296192846 1064347412 /nfs/dbraw/zinc/34/74/12/1064347412.db2.gz GRMVBILTADDQQF-DEOSSOPVSA-N 1 1 461.054 2.842 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193165 1064348880 /nfs/dbraw/zinc/34/88/80/1064348880.db2.gz HQCRARZZSUJHMY-TZIWHRDSSA-N 1 1 475.682 2.923 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296193559 1064351748 /nfs/dbraw/zinc/35/17/48/1064351748.db2.gz JSAQNECAAJNSPA-UXHICEINSA-N 1 1 488.080 2.929 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296193500 1064351794 /nfs/dbraw/zinc/35/17/94/1064351794.db2.gz IVFWDRYFXSRQTG-HXUWFJFHSA-N 1 1 467.662 2.815 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194077 1064353929 /nfs/dbraw/zinc/35/39/29/1064353929.db2.gz LHOBQRRAWKGUCV-IRFCIJBXSA-N 1 1 475.682 2.779 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001296194347 1064355420 /nfs/dbraw/zinc/35/54/20/1064355420.db2.gz RKYKWJWEYVKLLC-IRLDBZIGSA-N 1 1 456.683 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195042 1064358802 /nfs/dbraw/zinc/35/88/02/1064358802.db2.gz UUXXRGFCLBJBNJ-VXKWHMMOSA-N 1 1 456.683 2.553 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195283 1064360396 /nfs/dbraw/zinc/36/03/96/1064360396.db2.gz NVZIMEJHTHPUTJ-HXUWFJFHSA-N 1 1 463.671 2.923 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195364 1064360942 /nfs/dbraw/zinc/36/09/42/1064360942.db2.gz IJFXODDDAHURCG-IBGZPJMESA-N 1 1 468.572 2.875 20 0 JFADMO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001296195334 1064361035 /nfs/dbraw/zinc/36/10/35/1064361035.db2.gz OVFBCNQHKWPLQG-AQNXPRMDSA-N 1 1 463.671 2.779 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296195441 1064361730 /nfs/dbraw/zinc/36/17/30/1064361730.db2.gz KPAAHARITMHRHV-NHCUHLMSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296195690 1064362723 /nfs/dbraw/zinc/36/27/23/1064362723.db2.gz QHSGFGMZCAXMRG-PMACEKPBSA-N 1 1 488.080 2.964 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296196064 1064364339 /nfs/dbraw/zinc/36/43/39/1064364339.db2.gz OOJKLAPPCJOLDY-FQEVSTJZSA-N 1 1 472.634 2.605 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001291822683 1064365349 /nfs/dbraw/zinc/36/53/49/1064365349.db2.gz MOCAWOHBKIWFKN-ILWGZMRPSA-N 1 1 460.667 2.863 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001296196946 1064371178 /nfs/dbraw/zinc/37/11/78/1064371178.db2.gz WWSICMZKMBFTDW-MIZPHKNDSA-N 1 1 483.661 2.709 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCNC(=O)CC2)CC1 ZINC001296197035 1064371914 /nfs/dbraw/zinc/37/19/14/1064371914.db2.gz WTDGNCKIGBNTGF-HSZRJFAPSA-N 1 1 497.688 2.779 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296201855 1064376488 /nfs/dbraw/zinc/37/64/88/1064376488.db2.gz BWKLLIDWVSTQIC-UHFFFAOYSA-N 1 1 461.699 2.589 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC001296201888 1064376589 /nfs/dbraw/zinc/37/65/89/1064376589.db2.gz CRFAFWPFAYPODM-UHFFFAOYSA-N 1 1 488.725 2.622 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC3CC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001296202982 1064379875 /nfs/dbraw/zinc/37/98/75/1064379875.db2.gz JTSSDHIEUUURGW-IBGZPJMESA-N 1 1 471.616 2.721 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296203648 1064382008 /nfs/dbraw/zinc/38/20/08/1064382008.db2.gz MOLGDVYZVDZBBC-CZYKHXBRSA-N 1 1 480.723 2.750 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC001296204037 1064382893 /nfs/dbraw/zinc/38/28/93/1064382893.db2.gz POJBTCRRVYMQPP-NRFANRHFSA-N 1 1 461.699 2.806 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC001296203827 1064383615 /nfs/dbraw/zinc/38/36/15/1064383615.db2.gz PHHGLPVQGPTJIJ-QHCPKHFHSA-N 1 1 471.698 2.944 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296204242 1064385681 /nfs/dbraw/zinc/38/56/81/1064385681.db2.gz IXMCRPZBFGEPOS-FCHUYYIVSA-N 1 1 462.683 2.984 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2C)CC1 ZINC001296204677 1064386981 /nfs/dbraw/zinc/38/69/81/1064386981.db2.gz ZFXORRHISSUTBV-UHFFFAOYSA-N 1 1 476.629 2.898 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296204624 1064387240 /nfs/dbraw/zinc/38/72/40/1064387240.db2.gz UHLKSABNLMQXFU-HXUWFJFHSA-N 1 1 460.598 2.639 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296205011 1064388660 /nfs/dbraw/zinc/38/86/60/1064388660.db2.gz PVDUIOCEOVMSOR-UHFFFAOYSA-N 1 1 478.645 2.993 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296205126 1064389486 /nfs/dbraw/zinc/38/94/86/1064389486.db2.gz XGNHVHSJIMHQBB-UHFFFAOYSA-N 1 1 459.683 2.847 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296205268 1064390021 /nfs/dbraw/zinc/39/00/21/1064390021.db2.gz RKFQKNKMKJITND-QGZVFWFLSA-N 1 1 466.055 2.608 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205287 1064390169 /nfs/dbraw/zinc/39/01/69/1064390169.db2.gz RTZPKXMIKDUDIS-JOCHJYFZSA-N 1 1 483.661 2.583 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296205629 1064391793 /nfs/dbraw/zinc/39/17/93/1064391793.db2.gz BWQGFKXAOXBGRW-UHFFFAOYSA-N 1 1 471.650 2.569 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296206231 1064394103 /nfs/dbraw/zinc/39/41/03/1064394103.db2.gz KTLCQGUXFMEOCC-UHFFFAOYSA-N 1 1 480.661 2.968 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296206332 1064394773 /nfs/dbraw/zinc/39/47/73/1064394773.db2.gz NLNFHIURNPVWLU-SANMLTNESA-N 1 1 486.661 2.995 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296206357 1064394853 /nfs/dbraw/zinc/39/48/53/1064394853.db2.gz OFCGJXNORJVVKY-HXUWFJFHSA-N 1 1 477.451 2.960 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296206437 1064395533 /nfs/dbraw/zinc/39/55/33/1064395533.db2.gz QWMPJQFPQDNTAK-UHFFFAOYSA-N 1 1 495.594 2.666 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296206447 1064396277 /nfs/dbraw/zinc/39/62/77/1064396277.db2.gz RDEMSVAAEZERBK-SFHVURJKSA-N 1 1 463.026 2.860 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296211305 1064401917 /nfs/dbraw/zinc/40/19/17/1064401917.db2.gz MFMWQTVDVQTIGX-VWNXMTODSA-N 1 1 454.663 2.952 20 0 JFADMO CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001296211282 1064401941 /nfs/dbraw/zinc/40/19/41/1064401941.db2.gz LPYQFURKMAKDNE-NRFANRHFSA-N 1 1 459.683 2.833 20 0 JFADMO CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001296211446 1064402601 /nfs/dbraw/zinc/40/26/01/1064402601.db2.gz YDRSFPTWSGBFBA-UHFFFAOYSA-N 1 1 458.628 2.767 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296211332 1064402738 /nfs/dbraw/zinc/40/27/38/1064402738.db2.gz NHNAFKKZDMMYIW-UHFFFAOYSA-N 1 1 455.651 2.685 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCCC[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296212571 1064404344 /nfs/dbraw/zinc/40/43/44/1064404344.db2.gz ABYMENDCRSQJNO-WIOPSUGQSA-N 1 1 462.683 2.973 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296214299 1064411901 /nfs/dbraw/zinc/41/19/01/1064411901.db2.gz NFBKJPDSMSQCBJ-JOCHJYFZSA-N 1 1 456.635 2.727 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001296214860 1064414983 /nfs/dbraw/zinc/41/49/83/1064414983.db2.gz PGTGRWZQDQWUTM-OYRHEFFESA-N 1 1 456.635 2.986 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001296214861 1064414998 /nfs/dbraw/zinc/41/49/98/1064414998.db2.gz PGTGRWZQDQWUTM-SFTDATJTSA-N 1 1 456.635 2.986 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296216071 1064422333 /nfs/dbraw/zinc/42/23/33/1064422333.db2.gz ZPSGZSXGDXBRGB-OAQYLSRUSA-N 1 1 491.587 2.510 20 0 JFADMO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219155 1064432307 /nfs/dbraw/zinc/43/23/07/1064432307.db2.gz IWVPMIPEJDOUNP-NQIIRXRSSA-N 1 1 467.618 2.876 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291839996 1064435893 /nfs/dbraw/zinc/43/58/93/1064435893.db2.gz OQLFCVHHCOBCGQ-BHIFYINESA-N 1 1 489.709 2.677 20 0 JFADMO Cc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c(N2CCCC2)[nH+]1 ZINC001296221298 1064439624 /nfs/dbraw/zinc/43/96/24/1064439624.db2.gz DLQUEMCIGHSAAF-BWKNWUBXSA-N 1 1 452.555 2.769 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001291846337 1064453585 /nfs/dbraw/zinc/45/35/85/1064453585.db2.gz UZQQHPCVBVMABB-QHCPKHFHSA-N 1 1 468.646 2.989 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291857910 1064466095 /nfs/dbraw/zinc/46/60/95/1064466095.db2.gz QITGFTNYZORFLI-TZIWHRDSSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291859370 1064468517 /nfs/dbraw/zinc/46/85/17/1064468517.db2.gz YRONIIJVQFMUAT-WWNPGLIZSA-N 1 1 468.646 2.844 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859438 1064469465 /nfs/dbraw/zinc/46/94/65/1064469465.db2.gz ZHTPIYFLLKCHOE-TZIWHRDSSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC001291859438 1064469469 /nfs/dbraw/zinc/46/94/69/1064469469.db2.gz ZHTPIYFLLKCHOE-TZIWHRDSSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291859958 1064469857 /nfs/dbraw/zinc/46/98/57/1064469857.db2.gz JOQBNMDQYVOALG-ACIOBRDBSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291880608 1064502278 /nfs/dbraw/zinc/50/22/78/1064502278.db2.gz HINQEFPWPHXQOE-DEOSSOPVSA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291880608 1064502287 /nfs/dbraw/zinc/50/22/87/1064502287.db2.gz HINQEFPWPHXQOE-DEOSSOPVSA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291880608 1064502297 /nfs/dbraw/zinc/50/22/97/1064502297.db2.gz HINQEFPWPHXQOE-DEOSSOPVSA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881932 1064504376 /nfs/dbraw/zinc/50/43/76/1064504376.db2.gz ZGYAAYZTYBXINY-JTHBVZDNSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881932 1064504393 /nfs/dbraw/zinc/50/43/93/1064504393.db2.gz ZGYAAYZTYBXINY-JTHBVZDNSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881932 1064504403 /nfs/dbraw/zinc/50/44/03/1064504403.db2.gz ZGYAAYZTYBXINY-JTHBVZDNSA-N 1 1 481.689 2.938 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882889 1064505369 /nfs/dbraw/zinc/50/53/69/1064505369.db2.gz QDEXMZZSUYGZFK-HIFRSBDPSA-N 1 1 454.522 2.612 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001296248049 1064507761 /nfs/dbraw/zinc/50/77/61/1064507761.db2.gz FCSIFARIRWBDPB-IBGZPJMESA-N 1 1 456.635 2.765 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887658 1064508833 /nfs/dbraw/zinc/50/88/33/1064508833.db2.gz MGCOQOKDGHAEHU-NRFANRHFSA-N 1 1 470.618 2.819 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887930 1064509742 /nfs/dbraw/zinc/50/97/42/1064509742.db2.gz LFSKBAPLIAALBL-SFTDATJTSA-N 1 1 454.619 2.633 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001291887988 1064510852 /nfs/dbraw/zinc/51/08/52/1064510852.db2.gz MCJMILUXFMDWGP-KNQAVFIVSA-N 1 1 474.675 2.774 20 0 JFADMO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1=CC[N@@H+](C)CC1 ZINC001296254822 1064516939 /nfs/dbraw/zinc/51/69/39/1064516939.db2.gz WHTCFFINWMSJMP-HNNXBMFYSA-N 1 1 459.534 2.873 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C1 ZINC001296256612 1064520871 /nfs/dbraw/zinc/52/08/71/1064520871.db2.gz FFXNFIRZNVCXJS-AVRWGWEMSA-N 1 1 459.587 2.780 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291893936 1064522948 /nfs/dbraw/zinc/52/29/48/1064522948.db2.gz VNUDYVNZTSGWKL-WPFOTENUSA-N 1 1 481.689 2.761 20 0 JFADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)SC ZINC001291902755 1064533612 /nfs/dbraw/zinc/53/36/12/1064533612.db2.gz ACCDHMVQRKKFSF-GOSISDBHSA-N 1 1 452.669 2.593 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904474 1064535142 /nfs/dbraw/zinc/53/51/42/1064535142.db2.gz PRMZDBDXYXLHRG-BUZMGHMJSA-N 1 1 482.673 2.970 20 0 JFADMO CCC(CC)(Cn1c(C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001291911737 1064538532 /nfs/dbraw/zinc/53/85/32/1064538532.db2.gz GQGHMQQUABXVRM-LJQANCHMSA-N 1 1 450.628 2.971 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC001296270113 1064538570 /nfs/dbraw/zinc/53/85/70/1064538570.db2.gz KZJUPZVGYHDCOL-PGRDOPGGSA-N 1 1 481.645 2.667 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001296274341 1064543683 /nfs/dbraw/zinc/54/36/83/1064543683.db2.gz RBHDUXMYVFOOAX-UHFFFAOYSA-N 1 1 491.640 2.609 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001296274341 1064543698 /nfs/dbraw/zinc/54/36/98/1064543698.db2.gz RBHDUXMYVFOOAX-UHFFFAOYSA-N 1 1 491.640 2.609 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001296274907 1064544698 /nfs/dbraw/zinc/54/46/98/1064544698.db2.gz URTGVRXKZYJNRN-QFIPXVFZSA-N 1 1 468.646 2.966 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)SC ZINC001291930764 1064547826 /nfs/dbraw/zinc/54/78/26/1064547826.db2.gz CADJQAMAMHPLMD-UXHICEINSA-N 1 1 478.707 2.837 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)SC ZINC001291930765 1064548467 /nfs/dbraw/zinc/54/84/67/1064548467.db2.gz CADJQAMAMHPLMD-VQTJNVASSA-N 1 1 478.707 2.837 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940743 1064555906 /nfs/dbraw/zinc/55/59/06/1064555906.db2.gz ISFJGDQUFPALJU-BAGYTPMASA-N 1 1 476.666 2.714 20 0 JFADMO CCC(CC)(Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291941061 1064557075 /nfs/dbraw/zinc/55/70/75/1064557075.db2.gz MQEVACXTFQCHMR-UKILVPOCSA-N 1 1 479.666 2.825 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001291951851 1064564157 /nfs/dbraw/zinc/56/41/57/1064564157.db2.gz HTMVOUNWGOYYLI-ICSRJNTNSA-N 1 1 464.655 2.557 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296289353 1064564487 /nfs/dbraw/zinc/56/44/87/1064564487.db2.gz RYMACIWUHDQOHP-OAQYLSRUSA-N 1 1 485.652 2.854 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954607 1064568520 /nfs/dbraw/zinc/56/85/20/1064568520.db2.gz VQTMLFJBPAXHEI-RTWAWAEBSA-N 1 1 468.650 2.966 20 0 JFADMO CCN1C(=O)CO[C@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H]1c1ccnn1C ZINC001291959562 1064572477 /nfs/dbraw/zinc/57/24/77/1064572477.db2.gz BQJRPYFBQQHAAO-RPBOFIJWSA-N 1 1 467.614 2.789 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296295906 1064572603 /nfs/dbraw/zinc/57/26/03/1064572603.db2.gz SHGSYCLVCJHWOF-NRFANRHFSA-N 1 1 499.679 2.777 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296302657 1064582598 /nfs/dbraw/zinc/58/25/98/1064582598.db2.gz QIHLLDKBPDDAES-HBMCJLEFSA-N 1 1 493.697 2.610 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001296306173 1064584362 /nfs/dbraw/zinc/58/43/62/1064584362.db2.gz GDNWRWLUPAIVEE-UHFFFAOYSA-N 1 1 469.590 2.511 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001296316081 1064596381 /nfs/dbraw/zinc/59/63/81/1064596381.db2.gz NPSBPTUZNWBPKY-UHFFFAOYSA-N 1 1 457.598 2.734 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@@H+](C)C(C)C ZINC001291985830 1064598038 /nfs/dbraw/zinc/59/80/38/1064598038.db2.gz FNYHQBOYONHFPX-UHFFFAOYSA-N 1 1 450.628 2.659 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)cc2)C1 ZINC001296323492 1064605960 /nfs/dbraw/zinc/60/59/60/1064605960.db2.gz QPIYKXJWBDTZNO-AQNXPRMDSA-N 1 1 451.633 2.584 20 0 JFADMO C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)s3)cc2)C[C@H](C)O1 ZINC001291990490 1064606383 /nfs/dbraw/zinc/60/63/83/1064606383.db2.gz NCSQSSNPZKOKME-ROUUACIJSA-N 1 1 456.612 2.997 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001296325047 1064614178 /nfs/dbraw/zinc/61/41/78/1064614178.db2.gz SAELDFMILKMWPS-MISYRCLQSA-N 1 1 461.655 2.531 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001296328309 1064622671 /nfs/dbraw/zinc/62/26/71/1064622671.db2.gz BAZLFRCMJGXYDB-DYESRHJHSA-N 1 1 460.648 2.508 20 0 JFADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001296328311 1064623309 /nfs/dbraw/zinc/62/33/09/1064623309.db2.gz BAZLFRCMJGXYDB-UTKZUKDTSA-N 1 1 460.648 2.508 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1CC(F)(F)C1 ZINC001292007952 1064628919 /nfs/dbraw/zinc/62/89/19/1064628919.db2.gz SQTNIWOQZRHVOB-UHFFFAOYSA-N 1 1 456.582 2.789 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1CC(F)(F)C1 ZINC001292007952 1064628925 /nfs/dbraw/zinc/62/89/25/1064628925.db2.gz SQTNIWOQZRHVOB-UHFFFAOYSA-N 1 1 456.582 2.789 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccccc1F ZINC001292008340 1064629541 /nfs/dbraw/zinc/62/95/41/1064629541.db2.gz LDJXMYHNJFAKIM-HDICACEKSA-N 1 1 460.598 2.929 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccccc1F ZINC001292008340 1064629546 /nfs/dbraw/zinc/62/95/46/1064629546.db2.gz LDJXMYHNJFAKIM-HDICACEKSA-N 1 1 460.598 2.929 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(F)c1 ZINC001292008645 1064631224 /nfs/dbraw/zinc/63/12/24/1064631224.db2.gz PFXFKQVUBCSPKQ-HDICACEKSA-N 1 1 460.598 2.929 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(F)c1 ZINC001292008645 1064631229 /nfs/dbraw/zinc/63/12/29/1064631229.db2.gz PFXFKQVUBCSPKQ-HDICACEKSA-N 1 1 460.598 2.929 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001292009460 1064633482 /nfs/dbraw/zinc/63/34/82/1064633482.db2.gz WMQLSHBPTSPDFV-SCTDSRPQSA-N 1 1 484.736 2.591 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CSCCS1 ZINC001292009460 1064633489 /nfs/dbraw/zinc/63/34/89/1064633489.db2.gz WMQLSHBPTSPDFV-SCTDSRPQSA-N 1 1 484.736 2.591 20 0 JFADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001292010540 1064636460 /nfs/dbraw/zinc/63/64/60/1064636460.db2.gz LMIJRKVVUSUQNQ-FGTMMUONSA-N 1 1 458.607 2.893 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292013798 1064642435 /nfs/dbraw/zinc/64/24/35/1064642435.db2.gz MNYDUHJFMWOCID-WMZHIEFXSA-N 1 1 495.672 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001292015867 1064648577 /nfs/dbraw/zinc/64/85/77/1064648577.db2.gz BDDWMCADRIBHPB-WBVHZDCISA-N 1 1 474.572 2.942 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@]1(C)CCCS1 ZINC001292017582 1064650909 /nfs/dbraw/zinc/65/09/09/1064650909.db2.gz KXQHNXYHWNNQJR-GEQKSPFYSA-N 1 1 464.680 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccsc1 ZINC001292018278 1064652397 /nfs/dbraw/zinc/65/23/97/1064652397.db2.gz PZYREXBCFGIXFO-FXAWDEMLSA-N 1 1 460.648 2.658 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019457 1064657657 /nfs/dbraw/zinc/65/76/57/1064657657.db2.gz FEXKIQVJMDXQJW-IAGOWNOFSA-N 1 1 452.393 2.667 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019457 1064657661 /nfs/dbraw/zinc/65/76/61/1064657661.db2.gz FEXKIQVJMDXQJW-IAGOWNOFSA-N 1 1 452.393 2.667 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H]1CCn2ccnc2C1 ZINC001292019385 1064657732 /nfs/dbraw/zinc/65/77/32/1064657732.db2.gz FBMFXSIGZJSBPQ-IPMKNSEASA-N 1 1 456.639 2.575 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019458 1064657793 /nfs/dbraw/zinc/65/77/93/1064657793.db2.gz FEXKIQVJMDXQJW-IRXDYDNUSA-N 1 1 452.393 2.667 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019458 1064657798 /nfs/dbraw/zinc/65/77/98/1064657798.db2.gz FEXKIQVJMDXQJW-IRXDYDNUSA-N 1 1 452.393 2.667 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292020755 1064660938 /nfs/dbraw/zinc/66/09/38/1064660938.db2.gz HGJVXBAFRYBXRP-YOUFYPILSA-N 1 1 464.655 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292024740 1064674029 /nfs/dbraw/zinc/67/40/29/1064674029.db2.gz SZEJFHJXAUUXTK-FNZWTVRRSA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1Cc1ccc(F)cc1 ZINC001292024871 1064674746 /nfs/dbraw/zinc/67/47/46/1064674746.db2.gz GEYMELPQRQKDCA-UGKGYDQZSA-N 1 1 472.609 2.931 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001292026851 1064680317 /nfs/dbraw/zinc/68/03/17/1064680317.db2.gz OFRCECZWRANGLI-QFIPXVFZSA-N 1 1 491.434 2.546 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCC(=O)Nc1ccccc1 ZINC001292041707 1064706937 /nfs/dbraw/zinc/70/69/37/1064706937.db2.gz OQNVFUVWNSPRNO-AREMUKBSSA-N 1 1 497.644 2.526 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC001292042849 1064708497 /nfs/dbraw/zinc/70/84/97/1064708497.db2.gz XNPMQNNPJYMRRY-XMMPIXPASA-N 1 1 458.582 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001292046392 1064711166 /nfs/dbraw/zinc/71/11/66/1064711166.db2.gz SVNHLHGUPNHGPX-WDJPJFJCSA-N 1 1 498.672 2.673 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1CCn1cc[nH+]c1C ZINC001292049035 1064714296 /nfs/dbraw/zinc/71/42/96/1064714296.db2.gz KRVAQNZGSSUGBE-UHFFFAOYSA-N 1 1 453.595 2.519 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001292049649 1064714653 /nfs/dbraw/zinc/71/46/53/1064714653.db2.gz OBCYGPVPOMYAHF-SFHVURJKSA-N 1 1 456.639 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1cc(F)cc(F)c1 ZINC001292054411 1064720739 /nfs/dbraw/zinc/72/07/39/1064720739.db2.gz BTRXDMLXNIZJBB-LJQANCHMSA-N 1 1 490.599 2.876 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCC[NH+]1CCOCC1 ZINC001292066887 1064744551 /nfs/dbraw/zinc/74/45/51/1064744551.db2.gz VKJUAJKIFGHKCU-LAUBAEHRSA-N 1 1 487.476 2.939 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292078312 1064760729 /nfs/dbraw/zinc/76/07/29/1064760729.db2.gz DOFYGKKQKMNECY-BVSLBCMMSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292078315 1064760921 /nfs/dbraw/zinc/76/09/21/1064760921.db2.gz DOFYGKKQKMNECY-NNWRFLSQSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001292079362 1064762642 /nfs/dbraw/zinc/76/26/42/1064762642.db2.gz REKARVMYGYCPPI-IHPCNDPISA-N 1 1 476.622 2.679 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080155 1064763637 /nfs/dbraw/zinc/76/36/37/1064763637.db2.gz NTKRURZZJZWCAH-NHCUHLMSSA-N 1 1 457.615 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292084885 1064766728 /nfs/dbraw/zinc/76/67/28/1064766728.db2.gz JPEDMOKZLCACFJ-DENIHFKCSA-N 1 1 495.672 2.606 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001292084973 1064767343 /nfs/dbraw/zinc/76/73/43/1064767343.db2.gz LHKBZJXQJDKCAB-CTNGQTDRSA-N 1 1 499.660 2.979 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292090531 1064775956 /nfs/dbraw/zinc/77/59/56/1064775956.db2.gz PXGDOFGGYRYBSS-LEWJYISDSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292090534 1064776102 /nfs/dbraw/zinc/77/61/02/1064776102.db2.gz PXGDOFGGYRYBSS-SFTDATJTSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292091438 1064778589 /nfs/dbraw/zinc/77/85/89/1064778589.db2.gz VKGFJGLQXHGAMW-FPOVZHCZSA-N 1 1 471.654 2.750 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCn1cc[nH+]c1C ZINC001292092674 1064780932 /nfs/dbraw/zinc/78/09/32/1064780932.db2.gz QUJBCTQHHUQCAK-KRWDZBQOSA-N 1 1 471.528 2.949 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292093048 1064781720 /nfs/dbraw/zinc/78/17/20/1064781720.db2.gz DDXQGLMSYHMSDN-SFTDATJTSA-N 1 1 485.681 2.663 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095136 1064786337 /nfs/dbraw/zinc/78/63/37/1064786337.db2.gz TWTBMGDPRJNGDQ-LEWJYISDSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292097503 1064788354 /nfs/dbraw/zinc/78/83/54/1064788354.db2.gz RVVJDVHDAOZEND-FCHUYYIVSA-N 1 1 486.665 2.628 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001292105229 1064798591 /nfs/dbraw/zinc/79/85/91/1064798591.db2.gz LHCCBMOOMSSDED-SQJMNOBHSA-N 1 1 476.666 2.845 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(OC)cc1 ZINC001292105976 1064801657 /nfs/dbraw/zinc/80/16/57/1064801657.db2.gz QNUIEPAIBPKTDH-UHFFFAOYSA-N 1 1 494.644 2.699 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001292108715 1064806333 /nfs/dbraw/zinc/80/63/33/1064806333.db2.gz BIJSWKCFPGADQX-GOSISDBHSA-N 1 1 484.649 2.665 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(SC)CC1 ZINC001292109217 1064807722 /nfs/dbraw/zinc/80/77/22/1064807722.db2.gz GUCJLEJKGYJPPJ-SFHVURJKSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292110188 1064810766 /nfs/dbraw/zinc/81/07/66/1064810766.db2.gz ORZZBLDENJHHIO-LJQANCHMSA-N 1 1 487.649 2.787 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292110495 1064813657 /nfs/dbraw/zinc/81/36/57/1064813657.db2.gz JICKWEGLMDJWMJ-HXUWFJFHSA-N 1 1 481.645 2.501 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(O)CCCCCC1 ZINC001292110623 1064816148 /nfs/dbraw/zinc/81/61/48/1064816148.db2.gz UPULEPFXMZCKKL-NRFANRHFSA-N 1 1 490.693 2.830 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292123482 1064861838 /nfs/dbraw/zinc/86/18/38/1064861838.db2.gz FGAAXHLTBIOBQW-LJQANCHMSA-N 1 1 483.661 2.679 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292124035 1064863986 /nfs/dbraw/zinc/86/39/86/1064863986.db2.gz DFMUNEHQJQKABT-UHFFFAOYSA-N 1 1 459.683 2.993 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292124035 1064863993 /nfs/dbraw/zinc/86/39/93/1064863993.db2.gz DFMUNEHQJQKABT-UHFFFAOYSA-N 1 1 459.683 2.993 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001292125330 1064869179 /nfs/dbraw/zinc/86/91/79/1064869179.db2.gz BTIYKPCUQDWNQS-NVQXNPDNSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292125755 1064871091 /nfs/dbraw/zinc/87/10/91/1064871091.db2.gz LMLNPHWUIHSJQT-PMACEKPBSA-N 1 1 475.682 2.622 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001292126692 1064876985 /nfs/dbraw/zinc/87/69/85/1064876985.db2.gz NLXKKYDXZBLHQW-UHFFFAOYSA-N 1 1 486.617 2.521 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292126763 1064877508 /nfs/dbraw/zinc/87/75/08/1064877508.db2.gz TYRXZCCHJPDANJ-IBGZPJMESA-N 1 1 473.666 2.662 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127046 1064879177 /nfs/dbraw/zinc/87/91/77/1064879177.db2.gz UIDJIKZVGGKEDR-FPOVZHCZSA-N 1 1 483.661 2.869 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127045 1064879330 /nfs/dbraw/zinc/87/93/30/1064879330.db2.gz UIDJIKZVGGKEDR-CTNGQTDRSA-N 1 1 483.661 2.869 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292127290 1064881550 /nfs/dbraw/zinc/88/15/50/1064881550.db2.gz ZKYKZDRBWNZWQS-QFIPXVFZSA-N 1 1 489.709 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001292133885 1064890060 /nfs/dbraw/zinc/89/00/60/1064890060.db2.gz KOEOXUDZTLMQGX-LEWJYISDSA-N 1 1 473.666 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001292134932 1064897317 /nfs/dbraw/zinc/89/73/17/1064897317.db2.gz YRZLLAKEKQYNTH-GOSISDBHSA-N 1 1 498.525 2.924 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001292134932 1064897329 /nfs/dbraw/zinc/89/73/29/1064897329.db2.gz YRZLLAKEKQYNTH-GOSISDBHSA-N 1 1 498.525 2.924 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CC)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001292145743 1064921521 /nfs/dbraw/zinc/92/15/21/1064921521.db2.gz WKKAWTXSZQDVKW-HXUWFJFHSA-N 1 1 466.590 2.749 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001292159034 1064939510 /nfs/dbraw/zinc/93/95/10/1064939510.db2.gz CFUPTGDCLBMHFR-FQEVSTJZSA-N 1 1 476.666 2.847 20 0 JFADMO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)Oc1ccccc1F ZINC001292160614 1064942944 /nfs/dbraw/zinc/94/29/44/1064942944.db2.gz RJCUMTNHSSCDJW-PMACEKPBSA-N 1 1 488.608 2.668 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001292165667 1064953091 /nfs/dbraw/zinc/95/30/91/1064953091.db2.gz PAKJOFAZAXTEAF-CPJSRVTESA-N 1 1 476.666 2.847 20 0 JFADMO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173180 1064961117 /nfs/dbraw/zinc/96/11/17/1064961117.db2.gz PCUWVSVHTYFPIP-ZRCGQRJVSA-N 1 1 484.645 2.506 20 0 JFADMO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001292174919 1064964464 /nfs/dbraw/zinc/96/44/64/1064964464.db2.gz PJVRKXQAQQRXMN-DYESRHJHSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292197539 1064989621 /nfs/dbraw/zinc/98/96/21/1064989621.db2.gz GSRGZBSXRHDHIU-DFBJGRDBSA-N 1 1 487.649 2.888 20 0 JFADMO CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001292210898 1065001382 /nfs/dbraw/zinc/00/13/82/1065001382.db2.gz RHSIRWSVTZKVJG-FQEVSTJZSA-N 1 1 491.681 2.839 20 0 JFADMO CC[C@@H](Cn1c(C2CC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001292210898 1065001394 /nfs/dbraw/zinc/00/13/94/1065001394.db2.gz RHSIRWSVTZKVJG-FQEVSTJZSA-N 1 1 491.681 2.839 20 0 JFADMO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)OC ZINC001292212784 1065003133 /nfs/dbraw/zinc/00/31/33/1065003133.db2.gz WLZTXKYQQLQKGQ-FGTMMUONSA-N 1 1 453.591 2.536 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292219337 1065006465 /nfs/dbraw/zinc/00/64/65/1065006465.db2.gz NEBFZXDQEHQIHG-PCCBWWKXSA-N 1 1 492.665 2.634 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292226996 1065014722 /nfs/dbraw/zinc/01/47/22/1065014722.db2.gz VCCGNSWGDXNQAU-YADHBBJMSA-N 1 1 454.619 2.581 20 0 JFADMO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001292229795 1065016900 /nfs/dbraw/zinc/01/69/00/1065016900.db2.gz HOJFOSVUIISZTQ-BJKOFHAPSA-N 1 1 468.646 2.655 20 0 JFADMO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)OC ZINC001292254866 1065037699 /nfs/dbraw/zinc/03/76/99/1065037699.db2.gz HTBUIWVCUGCEKP-ZDQHKECQSA-N 1 1 492.665 2.775 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001292267917 1065047424 /nfs/dbraw/zinc/04/74/24/1065047424.db2.gz NUPNXCFUDACGJD-VQTJNVASSA-N 1 1 492.690 2.540 20 0 JFADMO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001292278185 1065054380 /nfs/dbraw/zinc/05/43/80/1065054380.db2.gz MPSNEWPATCVCOJ-NRFANRHFSA-N 1 1 456.344 2.664 20 0 JFADMO CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292280773 1065055683 /nfs/dbraw/zinc/05/56/83/1065055683.db2.gz YRVWKLPIOPCKIF-NHCUHLMSSA-N 1 1 454.619 2.881 20 0 JFADMO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292284941 1065059138 /nfs/dbraw/zinc/05/91/38/1065059138.db2.gz QSYMIIQZHUGFJX-QFIPXVFZSA-N 1 1 462.683 2.718 20 0 JFADMO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339564 1065090768 /nfs/dbraw/zinc/09/07/68/1065090768.db2.gz MLZFEPOYTXZVAT-PXDATVDWSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001292356083 1065100451 /nfs/dbraw/zinc/10/04/51/1065100451.db2.gz VZHAXERNYSAFOO-FQEVSTJZSA-N 1 1 467.412 2.763 20 0 JFADMO CC[C@@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001292377477 1065120231 /nfs/dbraw/zinc/12/02/31/1065120231.db2.gz ZTFCCAHXBQKAFR-YKUDZUIHSA-N 1 1 479.666 2.895 20 0 JFADMO CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001292394818 1065134637 /nfs/dbraw/zinc/13/46/37/1065134637.db2.gz WYHCWWKGYQOFBS-IBGZPJMESA-N 1 1 487.674 2.884 20 0 JFADMO CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001292394819 1065134675 /nfs/dbraw/zinc/13/46/75/1065134675.db2.gz WYHCWWKGYQOFBS-LJQANCHMSA-N 1 1 487.674 2.884 20 0 JFADMO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCC1 ZINC001292408667 1065142679 /nfs/dbraw/zinc/14/26/79/1065142679.db2.gz UYUZZYRSNGIQJT-NRFANRHFSA-N 1 1 454.619 2.852 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001292432384 1065158656 /nfs/dbraw/zinc/15/86/56/1065158656.db2.gz GNQCWVDIGQAAMP-IBGZPJMESA-N 1 1 451.531 2.831 20 0 JFADMO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292458442 1065181585 /nfs/dbraw/zinc/18/15/85/1065181585.db2.gz OUFUGNCWNAMPQP-YADHBBJMSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292460585 1065189107 /nfs/dbraw/zinc/18/91/07/1065189107.db2.gz IXHTWRQWCTVJKI-VSKRKVRLSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC001292462467 1065192180 /nfs/dbraw/zinc/19/21/80/1065192180.db2.gz TUPULOJERCRVBX-RTWAWAEBSA-N 1 1 463.648 2.866 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)NCc2ccco2)cc1 ZINC001292475265 1065200186 /nfs/dbraw/zinc/20/01/86/1065200186.db2.gz SKTSSNUSBKJJQI-BGYRXZFFSA-N 1 1 480.613 2.962 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)NCc2ccco2)cc1 ZINC001292475265 1065200194 /nfs/dbraw/zinc/20/01/94/1065200194.db2.gz SKTSSNUSBKJJQI-BGYRXZFFSA-N 1 1 480.613 2.962 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCS(=O)(=O)CC)n2C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292475367 1065200252 /nfs/dbraw/zinc/20/02/52/1065200252.db2.gz UPWRBGICZKZWKL-LJQANCHMSA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001292478652 1065202876 /nfs/dbraw/zinc/20/28/76/1065202876.db2.gz IHGLQABMMOPCJI-WOJBJXKFSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292486295 1065207810 /nfs/dbraw/zinc/20/78/10/1065207810.db2.gz YHTWRLGHSKFPDO-HRFSGMKKSA-N 1 1 482.673 2.951 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2CC[N@@H+](C)CCCOC)cc1 ZINC001292496151 1065214583 /nfs/dbraw/zinc/21/45/83/1065214583.db2.gz GJJQRZXFAJJGIA-UHFFFAOYSA-N 1 1 454.619 2.582 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H]2CC[N@H+](CC)C2)cc1 ZINC001292497120 1065215943 /nfs/dbraw/zinc/21/59/43/1065215943.db2.gz AVXWOWJJISLKKX-NRFANRHFSA-N 1 1 474.675 2.615 20 0 JFADMO CCc1ccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001292511546 1065229163 /nfs/dbraw/zinc/22/91/63/1065229163.db2.gz WCFGMPQJGKHSRT-UHFFFAOYSA-N 1 1 468.646 2.925 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)cc1C ZINC001292516442 1065237483 /nfs/dbraw/zinc/23/74/83/1065237483.db2.gz SKDFISNWKACJAQ-PKTZIBPZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292518714 1065243454 /nfs/dbraw/zinc/24/34/54/1065243454.db2.gz WMBVFXRXSIBUNO-JOCHJYFZSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520801 1065246529 /nfs/dbraw/zinc/24/65/29/1065246529.db2.gz UPWCYVIBHREUNG-RPLLCQBOSA-N 1 1 484.689 2.900 20 0 JFADMO O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523695 1065248301 /nfs/dbraw/zinc/24/83/01/1065248301.db2.gz JMDRWAJZGOZSDB-NBGIEHNGSA-N 1 1 454.546 2.823 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001292532763 1065255955 /nfs/dbraw/zinc/25/59/55/1065255955.db2.gz LXBNBSRZGOEFAC-FGZHOGPDSA-N 1 1 454.619 2.675 20 0 JFADMO CC(C)[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2cccnc2)no1 ZINC001292545344 1065265896 /nfs/dbraw/zinc/26/58/96/1065265896.db2.gz CJZDOSNNESYGKX-IBGZPJMESA-N 1 1 458.563 2.888 20 0 JFADMO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC001292548191 1065268397 /nfs/dbraw/zinc/26/83/97/1065268397.db2.gz PWLSXXYZOICQAG-KRWDZBQOSA-N 1 1 460.648 2.778 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001292590011 1065307047 /nfs/dbraw/zinc/30/70/47/1065307047.db2.gz JMOODDZPFPJTNG-BSWQBHCVSA-N 1 1 456.587 2.970 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C ZINC001292601291 1065324397 /nfs/dbraw/zinc/32/43/97/1065324397.db2.gz USFBJZBJMWPNFZ-HXUWFJFHSA-N 1 1 472.615 2.638 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292604432 1065328852 /nfs/dbraw/zinc/32/88/52/1065328852.db2.gz UUKIPRHTACOOGM-UXHICEINSA-N 1 1 454.619 2.853 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292606608 1065332525 /nfs/dbraw/zinc/33/25/25/1065332525.db2.gz SBPYDAJRNHPYOL-FPOVZHCZSA-N 1 1 475.659 2.775 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292609109 1065335029 /nfs/dbraw/zinc/33/50/29/1065335029.db2.gz IQWNKEDMJDHGOS-QHCPKHFHSA-N 1 1 498.672 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@H+](C)[C@H](C)CC ZINC001292614213 1065342518 /nfs/dbraw/zinc/34/25/18/1065342518.db2.gz DWYPIISYVYMAKJ-QUCCMNQESA-N 1 1 456.591 2.791 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@H+](C)[C@H](C)CC ZINC001292614173 1065342648 /nfs/dbraw/zinc/34/26/48/1065342648.db2.gz DASVBFJTTKXMTQ-TZIWHRDSSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001292614211 1065342665 /nfs/dbraw/zinc/34/26/65/1065342665.db2.gz DWYPIISYVYMAKJ-AZUAARDMSA-N 1 1 456.591 2.791 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292620238 1065357281 /nfs/dbraw/zinc/35/72/81/1065357281.db2.gz ZYBGWZWKERMSPS-HXUWFJFHSA-N 1 1 475.659 2.775 20 0 JFADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 ZINC001292635971 1065373977 /nfs/dbraw/zinc/37/39/77/1065373977.db2.gz PLDZKZYYQYXOTG-INIZCTEOSA-N 1 1 458.584 2.755 20 0 JFADMO CCc1cnc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC001292646923 1065382008 /nfs/dbraw/zinc/38/20/08/1065382008.db2.gz GTTGANYOZOKNIS-GOSISDBHSA-N 1 1 475.663 2.557 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001292673225 1065413404 /nfs/dbraw/zinc/41/34/04/1065413404.db2.gz HLOLJJWAUIPJFJ-RDJZCZTQSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001292673225 1065413414 /nfs/dbraw/zinc/41/34/14/1065413414.db2.gz HLOLJJWAUIPJFJ-RDJZCZTQSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001292673226 1065413466 /nfs/dbraw/zinc/41/34/66/1065413466.db2.gz HLOLJJWAUIPJFJ-WBVHZDCISA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001292673226 1065413475 /nfs/dbraw/zinc/41/34/75/1065413475.db2.gz HLOLJJWAUIPJFJ-WBVHZDCISA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[NH+](CCOC)CC2)o1 ZINC001292682369 1065425500 /nfs/dbraw/zinc/42/55/00/1065425500.db2.gz UZBHPVNFSUYJJG-UHFFFAOYSA-N 1 1 492.422 2.722 20 0 JFADMO CCc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)o1 ZINC001292690313 1065436831 /nfs/dbraw/zinc/43/68/31/1065436831.db2.gz CKCQJHUZCBPUGI-FQEVSTJZSA-N 1 1 453.591 2.718 20 0 JFADMO CCc1nc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cs1 ZINC001292717352 1065472590 /nfs/dbraw/zinc/47/25/90/1065472590.db2.gz FYLUVAYIYIGVQX-IBGZPJMESA-N 1 1 472.663 2.558 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CC[NH+](CC)CC2)cs1 ZINC001292727796 1065488271 /nfs/dbraw/zinc/48/82/71/1065488271.db2.gz BPZOSWPFEZOMIF-GOSISDBHSA-N 1 1 471.679 2.608 20 0 JFADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001292742112 1065502164 /nfs/dbraw/zinc/50/21/64/1065502164.db2.gz OCOWEASOVPOJFL-QFIPXVFZSA-N 1 1 451.571 2.548 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292780652 1065540381 /nfs/dbraw/zinc/54/03/81/1065540381.db2.gz HICVAJSOSOJTNK-UHFFFAOYSA-N 1 1 487.674 2.830 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292780652 1065540390 /nfs/dbraw/zinc/54/03/90/1065540390.db2.gz HICVAJSOSOJTNK-UHFFFAOYSA-N 1 1 487.674 2.830 20 0 JFADMO CCc1nnc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)s1 ZINC001292790455 1065551318 /nfs/dbraw/zinc/55/13/18/1065551318.db2.gz HHNWBEOCWMRINQ-MRXNPFEDSA-N 1 1 457.604 2.573 20 0 JFADMO CCc1nnc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[NH+](CCOC)CC2)s1 ZINC001292799031 1065559087 /nfs/dbraw/zinc/55/90/87/1065559087.db2.gz WZTWFCWNWLHTRF-UHFFFAOYSA-N 1 1 471.631 2.705 20 0 JFADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001292810393 1065562844 /nfs/dbraw/zinc/56/28/44/1065562844.db2.gz OLDBOTMFMXLWQA-QFIPXVFZSA-N 1 1 452.958 2.969 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292813583 1065563692 /nfs/dbraw/zinc/56/36/92/1065563692.db2.gz LSZVUXZIGYVRTH-UHFFFAOYSA-N 1 1 467.662 2.609 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292813832 1065564760 /nfs/dbraw/zinc/56/47/60/1065564760.db2.gz RHJBDICJPFPAFO-UHFFFAOYSA-N 1 1 467.662 2.608 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292813832 1065564772 /nfs/dbraw/zinc/56/47/72/1065564772.db2.gz RHJBDICJPFPAFO-UHFFFAOYSA-N 1 1 467.662 2.608 20 0 JFADMO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292813832 1065564777 /nfs/dbraw/zinc/56/47/77/1065564777.db2.gz RHJBDICJPFPAFO-UHFFFAOYSA-N 1 1 467.662 2.608 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001292892201 1065589128 /nfs/dbraw/zinc/58/91/28/1065589128.db2.gz AIVFPNCKLMPZEW-RDPSFJRHSA-N 1 1 468.646 2.912 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892388 1065589625 /nfs/dbraw/zinc/58/96/25/1065589625.db2.gz CTKSBHYUTTZFJP-IFMALSPDSA-N 1 1 454.619 2.607 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292892409 1065590454 /nfs/dbraw/zinc/59/04/54/1065590454.db2.gz DMVXFRRFLZVDLW-QAPCUYQASA-N 1 1 451.518 2.656 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892893 1065591870 /nfs/dbraw/zinc/59/18/70/1065591870.db2.gz IRDKDPFEJXNHBG-DFQSSKMNSA-N 1 1 450.697 2.997 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893119 1065591904 /nfs/dbraw/zinc/59/19/04/1065591904.db2.gz LFWNMNDSNAAIBB-DENIHFKCSA-N 1 1 454.619 2.585 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893544 1065594795 /nfs/dbraw/zinc/59/47/95/1065594795.db2.gz PDQQFXBGXFRFIK-YLJYHZDGSA-N 1 1 494.562 2.819 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894282 1065595397 /nfs/dbraw/zinc/59/53/97/1065595397.db2.gz WKOSWDMQBIPXEG-DYESRHJHSA-N 1 1 493.578 2.876 20 0 JFADMO CCc1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1c(OC)cc(OC)cc1OC ZINC001292905436 1065598606 /nfs/dbraw/zinc/59/86/06/1065598606.db2.gz ASYSLMFDSPMLHD-WIYYLYMNSA-N 1 1 473.618 2.656 20 0 JFADMO CC(=O)N[C@H](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC001292948795 1065629778 /nfs/dbraw/zinc/62/97/78/1065629778.db2.gz IBCXMZVHNZQUAA-UXHICEINSA-N 1 1 450.555 2.699 20 0 JFADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC001292958632 1065636113 /nfs/dbraw/zinc/63/61/13/1065636113.db2.gz YEULVWAQEJTAFL-UHFFFAOYSA-N 1 1 454.438 2.903 20 0 JFADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959107 1065637096 /nfs/dbraw/zinc/63/70/96/1065637096.db2.gz TXAIYHYQXRPBGO-HXUWFJFHSA-N 1 1 458.550 2.921 20 0 JFADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959107 1065637101 /nfs/dbraw/zinc/63/71/01/1065637101.db2.gz TXAIYHYQXRPBGO-HXUWFJFHSA-N 1 1 458.550 2.921 20 0 JFADMO CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001292960870 1065640487 /nfs/dbraw/zinc/64/04/87/1065640487.db2.gz LYQNNAMNOGVPIX-HDICACEKSA-N 1 1 455.607 2.568 20 0 JFADMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCC[N@H+](C)CC3)cc2)cc1C ZINC001292968920 1065648283 /nfs/dbraw/zinc/64/82/83/1065648283.db2.gz XWQXPKUJMZKDLK-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCN(C)CC3)cc2)cc1C ZINC001292968920 1065648291 /nfs/dbraw/zinc/64/82/91/1065648291.db2.gz XWQXPKUJMZKDLK-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCN(C)CC3)cc2)cc1C ZINC001292968920 1065648296 /nfs/dbraw/zinc/64/82/96/1065648296.db2.gz XWQXPKUJMZKDLK-UHFFFAOYSA-N 1 1 458.628 2.862 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292978635 1065659925 /nfs/dbraw/zinc/65/99/25/1065659925.db2.gz UPSMBDQIOUTQCN-UHFFFAOYSA-N 1 1 460.648 2.720 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292978635 1065659931 /nfs/dbraw/zinc/65/99/31/1065659931.db2.gz UPSMBDQIOUTQCN-UHFFFAOYSA-N 1 1 460.648 2.720 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001292981080 1065665153 /nfs/dbraw/zinc/66/51/53/1065665153.db2.gz CAJRIMNQTONWGF-VXKWHMMOSA-N 1 1 484.645 2.949 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 ZINC001292993408 1065680865 /nfs/dbraw/zinc/68/08/65/1065680865.db2.gz OXGVBGBJZUNLMA-UHFFFAOYSA-N 1 1 451.571 2.800 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001293039386 1065707334 /nfs/dbraw/zinc/70/73/34/1065707334.db2.gz ALSXVEDKJICDNM-JOCHJYFZSA-N 1 1 468.646 2.852 20 0 JFADMO CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293044509 1065709236 /nfs/dbraw/zinc/70/92/36/1065709236.db2.gz KWPKSZNKTJZGGE-YADHBBJMSA-N 1 1 453.635 2.864 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293063282 1065716684 /nfs/dbraw/zinc/71/66/84/1065716684.db2.gz ZZLNPJKPQGURGN-LJQANCHMSA-N 1 1 460.648 2.755 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCCn1cnc2ccccc21 ZINC001293068100 1065720226 /nfs/dbraw/zinc/72/02/26/1065720226.db2.gz CKXGHIFKZMFMCR-UHFFFAOYSA-N 1 1 466.634 2.661 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCCn1cnc2ccccc21 ZINC001293068100 1065720235 /nfs/dbraw/zinc/72/02/35/1065720235.db2.gz CKXGHIFKZMFMCR-UHFFFAOYSA-N 1 1 466.634 2.661 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293076764 1065727624 /nfs/dbraw/zinc/72/76/24/1065727624.db2.gz ASDSHHRIINAONK-NRFANRHFSA-N 1 1 454.619 2.612 20 0 JFADMO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293087796 1065737344 /nfs/dbraw/zinc/73/73/44/1065737344.db2.gz ZLSCQOMEDKRIQP-QFIPXVFZSA-N 1 1 473.710 2.733 20 0 JFADMO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293093080 1065741282 /nfs/dbraw/zinc/74/12/82/1065741282.db2.gz QDJGHLODNWFOAQ-QPPBQGQZSA-N 1 1 467.662 2.701 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001293096549 1065747192 /nfs/dbraw/zinc/74/71/92/1065747192.db2.gz XGXZNEAVXMLQRL-WIYYLYMNSA-N 1 1 496.578 2.995 20 0 JFADMO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001293111650 1065757848 /nfs/dbraw/zinc/75/78/48/1065757848.db2.gz NRQLCYIPOXUFPE-MRXNPFEDSA-N 1 1 452.393 2.619 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCCn1cc(Br)cn1 ZINC001293116464 1065763464 /nfs/dbraw/zinc/76/34/64/1065763464.db2.gz MFLBYTYMVYKYDW-KRWDZBQOSA-N 1 1 480.455 2.969 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293118790 1065766251 /nfs/dbraw/zinc/76/62/51/1065766251.db2.gz DTWIEBCNZJEJNL-XZOQPEGZSA-N 1 1 481.689 2.884 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293121426 1065772948 /nfs/dbraw/zinc/77/29/48/1065772948.db2.gz QYNQJSFRZCDKHW-XPPIMPSXSA-N 1 1 473.710 2.922 20 0 JFADMO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293121633 1065773717 /nfs/dbraw/zinc/77/37/17/1065773717.db2.gz CWBCMCGLYSIKKB-IYBDPMFKSA-N 1 1 464.552 2.751 20 0 JFADMO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293127153 1065778010 /nfs/dbraw/zinc/77/80/10/1065778010.db2.gz HEWBRNQTSBVTOH-HXUWFJFHSA-N 1 1 488.080 2.616 20 0 JFADMO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293127152 1065778083 /nfs/dbraw/zinc/77/80/83/1065778083.db2.gz HEWBRNQTSBVTOH-FQEVSTJZSA-N 1 1 488.080 2.616 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131349 1065783256 /nfs/dbraw/zinc/78/32/56/1065783256.db2.gz OLQRCLNELUKUNK-OAQYLSRUSA-N 1 1 461.054 2.968 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001293135403 1065786001 /nfs/dbraw/zinc/78/60/01/1065786001.db2.gz CXWAOHMWVDVOTQ-IBGZPJMESA-N 1 1 450.628 2.787 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293139786 1065790949 /nfs/dbraw/zinc/79/09/49/1065790949.db2.gz VKLBDCSIANOXJG-JOCHJYFZSA-N 1 1 474.675 2.613 20 0 JFADMO CCc1noc(C)c1Cn1c(C(C)C)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001293190676 1065817821 /nfs/dbraw/zinc/81/78/21/1065817821.db2.gz LDXNJRLTPZLYEL-HXUWFJFHSA-N 1 1 468.602 2.871 20 0 JFADMO Cc1cc(Br)c(N)c(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC001293214250 1065847053 /nfs/dbraw/zinc/84/70/53/1065847053.db2.gz GLOZVRYPXLXQJU-QGZVFWFLSA-N 1 1 459.388 2.967 20 0 JFADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214189 1065847126 /nfs/dbraw/zinc/84/71/26/1065847126.db2.gz FALLMMDWHCPLDD-PXNSSMCTSA-N 1 1 458.603 2.503 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293218870 1065863851 /nfs/dbraw/zinc/86/38/51/1065863851.db2.gz PWNDQMTYZPTIGE-RQNQAMLKSA-N 1 1 484.645 2.554 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293220517 1065871296 /nfs/dbraw/zinc/87/12/96/1065871296.db2.gz RTHSZBCEYRDOLH-MAUKXSAKSA-N 1 1 478.439 2.871 20 0 JFADMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+]3CCSCC3)cc2)c1C(F)(F)F ZINC001293220672 1065871780 /nfs/dbraw/zinc/87/17/80/1065871780.db2.gz ZHYDUHXEGNMMFI-UHFFFAOYSA-N 1 1 456.490 2.846 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293221103 1065874056 /nfs/dbraw/zinc/87/40/56/1065874056.db2.gz WSPVODZZOQHUCP-LPHOPBHVSA-N 1 1 462.545 2.993 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001293229355 1065885052 /nfs/dbraw/zinc/88/50/52/1065885052.db2.gz SWJHWULIXMDHLP-SFHVURJKSA-N 1 1 477.382 2.823 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293241687 1065901351 /nfs/dbraw/zinc/90/13/51/1065901351.db2.gz DSGKQEJVMPJSTM-GGAORHGYSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cc[nH+]c1C ZINC001293242050 1065902617 /nfs/dbraw/zinc/90/26/17/1065902617.db2.gz HRBGQJPPTXKHNV-NRFANRHFSA-N 1 1 451.575 2.784 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293244062 1065907818 /nfs/dbraw/zinc/90/78/18/1065907818.db2.gz VIILAMVNJJREQF-FYYLOGMGSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001293244949 1065909120 /nfs/dbraw/zinc/90/91/20/1065909120.db2.gz YDAIEGQODNOCJN-LJQANCHMSA-N 1 1 487.674 2.639 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@H+]1CCC[C@H]1C ZINC001293248402 1065914434 /nfs/dbraw/zinc/91/44/34/1065914434.db2.gz ZZRNONPQYBRCCC-QZTJIDSGSA-N 1 1 458.632 2.778 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001293253400 1065917589 /nfs/dbraw/zinc/91/75/89/1065917589.db2.gz UNKGOLFTCAGGSY-DENIHFKCSA-N 1 1 454.619 2.922 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC001293269627 1065927028 /nfs/dbraw/zinc/92/70/28/1065927028.db2.gz RSFBADWXZUYJGT-NRFANRHFSA-N 1 1 454.571 2.526 20 0 JFADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001293280768 1065931961 /nfs/dbraw/zinc/93/19/61/1065931961.db2.gz FJPJTDVUVTWSAJ-AWEZNQCLSA-N 1 1 450.299 2.604 20 0 JFADMO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001293287734 1065934731 /nfs/dbraw/zinc/93/47/31/1065934731.db2.gz BIIMCEDJGKGJFN-XYJFISCASA-N 1 1 466.677 2.948 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001293298507 1065939233 /nfs/dbraw/zinc/93/92/33/1065939233.db2.gz QRRBQYPBJVYTOQ-XQBPLPMBSA-N 1 1 474.675 2.962 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293298895 1065939645 /nfs/dbraw/zinc/93/96/45/1065939645.db2.gz DCPDTLPFWHZHQP-BPYKYCOYSA-N 1 1 462.683 2.970 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001293320383 1065947514 /nfs/dbraw/zinc/94/75/14/1065947514.db2.gz HTQUSKTXINQCDA-BURNTYAHSA-N 1 1 496.722 2.746 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001293361247 1065964917 /nfs/dbraw/zinc/96/49/17/1065964917.db2.gz UTTAHCCDZWLHLS-HXUWFJFHSA-N 1 1 462.639 2.614 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001293361242 1065964964 /nfs/dbraw/zinc/96/49/64/1065964964.db2.gz UTTAHCCDZWLHLS-FQEVSTJZSA-N 1 1 462.639 2.614 20 0 JFADMO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361396 1065965432 /nfs/dbraw/zinc/96/54/32/1065965432.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293361396 1065965439 /nfs/dbraw/zinc/96/54/39/1065965439.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293362095 1065966049 /nfs/dbraw/zinc/96/60/49/1065966049.db2.gz CUSXBDQGEGQQGU-NNMXDRDESA-N 1 1 470.684 2.548 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001293362650 1065966343 /nfs/dbraw/zinc/96/63/43/1065966343.db2.gz FTEIIZIMYFXRTI-RDJZCZTQSA-N 1 1 478.439 2.967 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293363785 1065967402 /nfs/dbraw/zinc/96/74/02/1065967402.db2.gz AFQWMNDJVDANCS-ACIOBRDBSA-N 1 1 483.661 2.972 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O ZINC001293365989 1065971358 /nfs/dbraw/zinc/97/13/58/1065971358.db2.gz RBYIUGUOXYZUJE-QGZVFWFLSA-N 1 1 455.028 2.739 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001293366268 1065971656 /nfs/dbraw/zinc/97/16/56/1065971656.db2.gz YQRSZMTVRSBTFE-HXUWFJFHSA-N 1 1 458.607 2.842 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368940 1065971989 /nfs/dbraw/zinc/97/19/89/1065971989.db2.gz AIBPKJVNVRDKFI-DLBZAZTESA-N 1 1 482.555 2.882 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369279 1065972571 /nfs/dbraw/zinc/97/25/71/1065972571.db2.gz CXVOWFSWVCCMMW-PMACEKPBSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001293371281 1065973876 /nfs/dbraw/zinc/97/38/76/1065973876.db2.gz DSUMSYRTZGTLDU-WOJBJXKFSA-N 1 1 480.704 2.912 20 0 JFADMO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371478 1065974451 /nfs/dbraw/zinc/97/44/51/1065974451.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371478 1065974465 /nfs/dbraw/zinc/97/44/65/1065974465.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001293371836 1065975175 /nfs/dbraw/zinc/97/51/75/1065975175.db2.gz GSCLNCSTMVFJNY-OAQYLSRUSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001293372456 1065975702 /nfs/dbraw/zinc/97/57/02/1065975702.db2.gz OHKXDZLXPFKXHU-IBGZPJMESA-N 1 1 454.685 2.601 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001293372459 1065975851 /nfs/dbraw/zinc/97/58/51/1065975851.db2.gz OHKXDZLXPFKXHU-LJQANCHMSA-N 1 1 454.685 2.601 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001293372664 1065976222 /nfs/dbraw/zinc/97/62/22/1065976222.db2.gz KIHRNHKLESMRTA-QFIPXVFZSA-N 1 1 470.666 2.851 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372999 1065976612 /nfs/dbraw/zinc/97/66/12/1065976612.db2.gz LVXFWGTXQJGTPA-RTWAWAEBSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373469 1065977530 /nfs/dbraw/zinc/97/75/30/1065977530.db2.gz QXWYEECKSIRLRW-ROUUACIJSA-N 1 1 459.607 2.926 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293373549 1065977922 /nfs/dbraw/zinc/97/79/22/1065977922.db2.gz PNPBTYDMIGFZOQ-FCHUYYIVSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001293373846 1065979232 /nfs/dbraw/zinc/97/92/32/1065979232.db2.gz RZUFMGXMVOIBJE-RBBKRZOGSA-N 1 1 459.683 2.530 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001293373971 1065979785 /nfs/dbraw/zinc/97/97/85/1065979785.db2.gz UEKPMKJENOWYBD-NRFANRHFSA-N 1 1 494.731 2.961 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293374615 1065980329 /nfs/dbraw/zinc/98/03/29/1065980329.db2.gz YMGXSUCHJOUSHQ-FGZHOGPDSA-N 1 1 491.706 2.808 20 0 JFADMO CC[C@@H]1CCCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374512 1065980382 /nfs/dbraw/zinc/98/03/82/1065980382.db2.gz VSFLUWHHCXMQMX-FDFHNCONSA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374262 1065980410 /nfs/dbraw/zinc/98/04/10/1065980410.db2.gz VLZSQFZDCRBDIC-XZOQPEGZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374649 1065980836 /nfs/dbraw/zinc/98/08/36/1065980836.db2.gz ZGFDCMPAWPAWMD-PKTZIBPZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293375101 1065981100 /nfs/dbraw/zinc/98/11/00/1065981100.db2.gz ZYMZNMVIFLEKHO-VIZSFHNOSA-N 1 1 467.680 2.840 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O ZINC001293376583 1065981481 /nfs/dbraw/zinc/98/14/81/1065981481.db2.gz CVHCCLPDTGFHEJ-OIISXLGYSA-N 1 1 486.593 2.673 20 0 JFADMO CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001293485550 1066022642 /nfs/dbraw/zinc/02/26/42/1066022642.db2.gz RSTVWKYKCUFYIE-QFIPXVFZSA-N 1 1 496.722 2.892 20 0 JFADMO CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001293485628 1066023033 /nfs/dbraw/zinc/02/30/33/1066023033.db2.gz SKCUZTVYDLSJJC-RBBKRZOGSA-N 1 1 496.722 2.750 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC[N@H+]1CCOC ZINC001293508000 1066032324 /nfs/dbraw/zinc/03/23/24/1066032324.db2.gz UVSDAEHPNAOREO-GOSISDBHSA-N 1 1 490.649 2.970 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1CCOC ZINC001293509940 1066034793 /nfs/dbraw/zinc/03/47/93/1066034793.db2.gz KZIAISBENGSLDN-FKBYEOEOSA-N 1 1 454.619 2.767 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001293510107 1066035226 /nfs/dbraw/zinc/03/52/26/1066035226.db2.gz PQFKTJZILWMKFQ-RBUKOAKNSA-N 1 1 468.593 2.887 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC001293510636 1066036257 /nfs/dbraw/zinc/03/62/57/1066036257.db2.gz UBDDDJNMSZLFFY-NQIIRXRSSA-N 1 1 475.037 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001293511981 1066038208 /nfs/dbraw/zinc/03/82/08/1066038208.db2.gz YGBFLBCBXJTPOZ-FGTMMUONSA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001293511981 1066038214 /nfs/dbraw/zinc/03/82/14/1066038214.db2.gz YGBFLBCBXJTPOZ-FGTMMUONSA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293516871 1066039827 /nfs/dbraw/zinc/03/98/27/1066039827.db2.gz CBJFWURSMABLIY-RBUKOAKNSA-N 1 1 485.620 2.954 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC[N@H+]1CCOC ZINC001293517141 1066040191 /nfs/dbraw/zinc/04/01/91/1066040191.db2.gz HMMYZHXOZXYVAJ-GOSISDBHSA-N 1 1 461.014 2.887 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@@H+](CC)C(C)C)CCO1 ZINC001293531107 1066050986 /nfs/dbraw/zinc/05/09/86/1066050986.db2.gz KLDAEXLTNSLNOH-IBGZPJMESA-N 1 1 477.679 2.892 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H](C)O1 ZINC001293540971 1066060377 /nfs/dbraw/zinc/06/03/77/1066060377.db2.gz RVBWWYQPWPBQRM-NLWGTHIKSA-N 1 1 461.632 2.837 20 0 JFADMO C[C@H](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543250 1066062998 /nfs/dbraw/zinc/06/29/98/1066062998.db2.gz XPVGPTRKZOTOJK-FGTMMUONSA-N 1 1 457.040 2.905 20 0 JFADMO C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543253 1066063394 /nfs/dbraw/zinc/06/33/94/1066063394.db2.gz XPVGPTRKZOTOJK-SQNIBIBYSA-N 1 1 457.040 2.905 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293549753 1066065664 /nfs/dbraw/zinc/06/56/64/1066065664.db2.gz QRGBNJBYKZWGED-PXNSSMCTSA-N 1 1 461.010 2.670 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC(=O)NC2CCCCC2)CC[N@H+]1CCOC ZINC001293549601 1066065819 /nfs/dbraw/zinc/06/58/19/1066065819.db2.gz OKOZMZFJUJUUEV-FQEVSTJZSA-N 1 1 458.607 2.842 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001293550101 1066066057 /nfs/dbraw/zinc/06/60/57/1066066057.db2.gz UNLAYXYROCKPQN-HXUWFJFHSA-N 1 1 467.574 2.932 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@@H]1N1CCOCC1 ZINC001293553600 1066068387 /nfs/dbraw/zinc/06/83/87/1066068387.db2.gz QWYFXHNLWALGLF-GCJKJVERSA-N 1 1 495.043 2.863 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293555041 1066069422 /nfs/dbraw/zinc/06/94/22/1066069422.db2.gz BRVXEJDMNDKOLH-RXVVDRJESA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293554863 1066069463 /nfs/dbraw/zinc/06/94/63/1066069463.db2.gz VQYXORPHBBFHRW-VGOFRKELSA-N 1 1 484.428 2.950 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001293555626 1066069837 /nfs/dbraw/zinc/06/98/37/1066069837.db2.gz XJEJEAKOLKONNQ-SJORKVTESA-N 1 1 464.973 2.563 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CC2)CC[N@H+]1CCOC ZINC001293555863 1066069890 /nfs/dbraw/zinc/06/98/90/1066069890.db2.gz MBPUUFMQNNZHRK-KRWDZBQOSA-N 1 1 494.434 2.788 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293562529 1066075779 /nfs/dbraw/zinc/07/57/79/1066075779.db2.gz ULPCZEULPVKIGT-FQEVSTJZSA-N 1 1 465.602 2.519 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293565870 1066078016 /nfs/dbraw/zinc/07/80/16/1066078016.db2.gz ASFDNFQVFOSLDE-OFVILXPXSA-N 1 1 450.587 2.795 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293565872 1066078137 /nfs/dbraw/zinc/07/81/37/1066078137.db2.gz ASFDNFQVFOSLDE-PXDATVDWSA-N 1 1 450.587 2.795 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(F)(F)Br)C[C@H]1[NH+]1CCOCC1 ZINC001293566165 1066079096 /nfs/dbraw/zinc/07/90/96/1066079096.db2.gz DCAQMQGYSPLSIH-GOEBONIOSA-N 1 1 471.350 2.875 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(F)(F)Br)C[C@@H]1[NH+]1CCOCC1 ZINC001293566169 1066079115 /nfs/dbraw/zinc/07/91/15/1066079115.db2.gz DCAQMQGYSPLSIH-ZBFHGGJFSA-N 1 1 471.350 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293566438 1066079772 /nfs/dbraw/zinc/07/97/72/1066079772.db2.gz FGVIAVCSOVMOFD-ZWKOTPCHSA-N 1 1 465.545 2.925 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001293568678 1066081338 /nfs/dbraw/zinc/08/13/38/1066081338.db2.gz QZMJKJPEYLVNES-RTBURBONSA-N 1 1 481.567 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293570371 1066082196 /nfs/dbraw/zinc/08/21/96/1066082196.db2.gz FLFCWWANGBJJEL-OAQYLSRUSA-N 1 1 465.602 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293570590 1066082551 /nfs/dbraw/zinc/08/25/51/1066082551.db2.gz GZPGJDCNMYCNNT-PXDATVDWSA-N 1 1 470.593 2.877 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293575610 1066086063 /nfs/dbraw/zinc/08/60/63/1066086063.db2.gz NTGZUSYXJASUKP-GBXCKJPGSA-N 1 1 486.020 2.843 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293575612 1066086129 /nfs/dbraw/zinc/08/61/29/1066086129.db2.gz NTGZUSYXJASUKP-RDPSFJRHSA-N 1 1 486.020 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293575613 1066086182 /nfs/dbraw/zinc/08/61/82/1066086182.db2.gz NTGZUSYXJASUKP-YKSBVNFPSA-N 1 1 486.020 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293578480 1066089014 /nfs/dbraw/zinc/08/90/14/1066089014.db2.gz JNWHMRAAHOBJLO-WHUARKNTSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293578480 1066089025 /nfs/dbraw/zinc/08/90/25/1066089025.db2.gz JNWHMRAAHOBJLO-WHUARKNTSA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293578649 1066089455 /nfs/dbraw/zinc/08/94/55/1066089455.db2.gz KQNMRMFFBJNUQK-HSZRJFAPSA-N 1 1 491.640 2.854 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293581449 1066090216 /nfs/dbraw/zinc/09/02/16/1066090216.db2.gz BWOCCYCOWPHGBT-HKUYNNGSSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC[N@H+]1CCOC ZINC001293582192 1066091347 /nfs/dbraw/zinc/09/13/47/1066091347.db2.gz HWLVHZOJXCGJPI-RTWAWAEBSA-N 1 1 470.618 2.612 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCN1CCOC ZINC001293587780 1066095863 /nfs/dbraw/zinc/09/58/63/1066095863.db2.gz QSRGUGLFXUIPPQ-GMAHTHKFSA-N 1 1 492.709 2.956 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293588001 1066096248 /nfs/dbraw/zinc/09/62/48/1066096248.db2.gz SLSJXCAKJPLBLW-PUFAWVJESA-N 1 1 492.665 2.716 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCN1CCOC ZINC001293592701 1066098421 /nfs/dbraw/zinc/09/84/21/1066098421.db2.gz CVWYRDJZDHJFHG-MDNUFGMLSA-N 1 1 474.625 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCN1CCOC ZINC001293593697 1066099547 /nfs/dbraw/zinc/09/95/47/1066099547.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1CCOC ZINC001293593697 1066099556 /nfs/dbraw/zinc/09/95/56/1066099556.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)CCN1CCOC ZINC001293593694 1066099745 /nfs/dbraw/zinc/09/97/45/1066099745.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CCN1CCOC ZINC001293593694 1066099754 /nfs/dbraw/zinc/09/97/54/1066099754.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293595655 1066104725 /nfs/dbraw/zinc/10/47/25/1066104725.db2.gz PLAKOPABGAUESP-UNMCSNQZSA-N 1 1 470.618 2.748 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293595652 1066104743 /nfs/dbraw/zinc/10/47/43/1066104743.db2.gz PLAKOPABGAUESP-IFMALSPDSA-N 1 1 470.618 2.748 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293595653 1066104763 /nfs/dbraw/zinc/10/47/63/1066104763.db2.gz PLAKOPABGAUESP-IRLDBZIGSA-N 1 1 470.618 2.748 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293597444 1066110048 /nfs/dbraw/zinc/11/00/48/1066110048.db2.gz SZQHBVFGTRZLFT-HOKHCIIBSA-N 1 1 457.619 2.627 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293598635 1066112317 /nfs/dbraw/zinc/11/23/17/1066112317.db2.gz WXUZCNOUACXNKK-OTPAQWSUSA-N 1 1 475.634 2.837 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293600360 1066116721 /nfs/dbraw/zinc/11/67/21/1066116721.db2.gz HJMFIJKRNQIPQQ-RBBKRZOGSA-N 1 1 489.686 2.866 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293600356 1066116739 /nfs/dbraw/zinc/11/67/39/1066116739.db2.gz HJMFIJKRNQIPQQ-IRLDBZIGSA-N 1 1 489.686 2.866 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293600625 1066117078 /nfs/dbraw/zinc/11/70/78/1066117078.db2.gz HWRUXIQVFTUZQK-VSKRKVRLSA-N 1 1 460.667 2.672 20 0 JFADMO O=C(c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001293606785 1066122406 /nfs/dbraw/zinc/12/24/06/1066122406.db2.gz LYEZAOCGCQDDLY-HXUWFJFHSA-N 1 1 457.596 2.819 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293609661 1066124836 /nfs/dbraw/zinc/12/48/36/1066124836.db2.gz AAWJIEMBPOUQGR-RBBKRZOGSA-N 1 1 486.636 2.860 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001293611829 1066127522 /nfs/dbraw/zinc/12/75/22/1066127522.db2.gz INXUTYINDKSKHW-PXDATVDWSA-N 1 1 456.635 2.752 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293612260 1066128153 /nfs/dbraw/zinc/12/81/53/1066128153.db2.gz LEWDBZRGNIOQAT-IFMALSPDSA-N 1 1 456.635 2.874 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293613445 1066130508 /nfs/dbraw/zinc/13/05/08/1066130508.db2.gz RXTMZLMIPYNXKF-VWNXMTODSA-N 1 1 486.636 2.814 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293613444 1066130534 /nfs/dbraw/zinc/13/05/34/1066130534.db2.gz RXTMZLMIPYNXKF-UPVQGACJSA-N 1 1 486.636 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001293613649 1066131005 /nfs/dbraw/zinc/13/10/05/1066131005.db2.gz YVHUPZBKCBUUOW-YADHBBJMSA-N 1 1 457.619 2.850 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001293616141 1066131951 /nfs/dbraw/zinc/13/19/51/1066131951.db2.gz CWFKCFGUUZFOBE-FQEVSTJZSA-N 1 1 455.632 2.933 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293616769 1066133210 /nfs/dbraw/zinc/13/32/10/1066133210.db2.gz NTIAITHWENQBOE-OZXSUGGESA-N 1 1 464.614 2.719 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293616855 1066133729 /nfs/dbraw/zinc/13/37/29/1066133729.db2.gz PDCQPKZXILNUNK-GBXCKJPGSA-N 1 1 470.643 2.780 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293616857 1066133800 /nfs/dbraw/zinc/13/38/00/1066133800.db2.gz PDCQPKZXILNUNK-RDPSFJRHSA-N 1 1 470.643 2.780 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001293617540 1066134123 /nfs/dbraw/zinc/13/41/23/1066134123.db2.gz TYISKCDCKIBJGD-OAQYLSRUSA-N 1 1 453.591 2.658 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001293618856 1066135516 /nfs/dbraw/zinc/13/55/16/1066135516.db2.gz ZMXNIXBZUMQJQN-OAQYLSRUSA-N 1 1 474.675 2.723 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001293623818 1066139445 /nfs/dbraw/zinc/13/94/45/1066139445.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 1 1 469.678 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001293623818 1066139454 /nfs/dbraw/zinc/13/94/54/1066139454.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 1 1 469.678 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CC3)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293623204 1066139485 /nfs/dbraw/zinc/13/94/85/1066139485.db2.gz NZVKCMOKQPJYMT-MOPGFXCFSA-N 1 1 498.619 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293625100 1066140643 /nfs/dbraw/zinc/14/06/43/1066140643.db2.gz ACBMPBZKFYRIAH-PKTZIBPZSA-N 1 1 482.673 2.773 20 0 JFADMO CC[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC[S@@](=O)CC)CCS1 ZINC001293628442 1066142572 /nfs/dbraw/zinc/14/25/72/1066142572.db2.gz IBUSQJHICQWSGV-KATKFWMUSA-N 1 1 490.743 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001293629815 1066144298 /nfs/dbraw/zinc/14/42/98/1066144298.db2.gz MLTPTACBXNYOCR-IFMALSPDSA-N 1 1 454.619 2.926 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)SC)C[C@@H]1[NH+]1CCOCC1 ZINC001293633294 1066148129 /nfs/dbraw/zinc/14/81/29/1066148129.db2.gz ZEQRLESQMIIKIY-PMACEKPBSA-N 1 1 478.707 2.869 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293634294 1066149724 /nfs/dbraw/zinc/14/97/24/1066149724.db2.gz DNJCAQCCLLSGEW-FYYLOGMGSA-N 1 1 498.672 2.793 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)CC[N@H+]1CCOC ZINC001293637700 1066155810 /nfs/dbraw/zinc/15/58/10/1066155810.db2.gz YNXKDPKCODEWAD-OAQYLSRUSA-N 1 1 485.608 2.883 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](F)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001293638863 1066156645 /nfs/dbraw/zinc/15/66/45/1066156645.db2.gz MEDWODMJGFPXFA-SJBKTWHCSA-N 1 1 461.582 2.697 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293643148 1066158221 /nfs/dbraw/zinc/15/82/21/1066158221.db2.gz AXTMVXOIOSJJMD-ZWKOTPCHSA-N 1 1 483.535 2.967 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293647945 1066162771 /nfs/dbraw/zinc/16/27/71/1066162771.db2.gz OMBHAWCGFXGYLC-PXDATVDWSA-N 1 1 489.686 2.889 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C)c2)CC[N@H+]1CCOC ZINC001293650943 1066163452 /nfs/dbraw/zinc/16/34/52/1066163452.db2.gz BJEQXDDQXLAYDU-ZRBLBEILSA-N 1 1 457.619 2.906 20 0 JFADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001293651192 1066163653 /nfs/dbraw/zinc/16/36/53/1066163653.db2.gz NPSMTDXJRMCCOG-ZWKOTPCHSA-N 1 1 459.450 2.843 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1CCOC ZINC001293652718 1066164982 /nfs/dbraw/zinc/16/49/82/1066164982.db2.gz KEEVPIJQJOJVGD-FGZHOGPDSA-N 1 1 457.619 2.952 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC[N@H+]1CCOC ZINC001293652715 1066165020 /nfs/dbraw/zinc/16/50/20/1066165020.db2.gz KEEVPIJQJOJVGD-FCHUYYIVSA-N 1 1 457.619 2.952 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293653522 1066166144 /nfs/dbraw/zinc/16/61/44/1066166144.db2.gz PJPXPVPEDXWNGL-LUYSREMJSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001293658379 1066167546 /nfs/dbraw/zinc/16/75/46/1066167546.db2.gz HIGAZALIFPLLBV-JQVVWYNYSA-N 1 1 479.572 2.876 20 0 JFADMO CC/C=C\Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293714520 1066180344 /nfs/dbraw/zinc/18/03/44/1066180344.db2.gz KPZRVXKVRUEEQO-ICTHTSFCSA-N 1 1 473.691 2.831 20 0 JFADMO CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293717379 1066180831 /nfs/dbraw/zinc/18/08/31/1066180831.db2.gz JNSCRERMVXDZHH-UZQCKINESA-N 1 1 466.630 2.781 20 0 JFADMO CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293717377 1066180885 /nfs/dbraw/zinc/18/08/85/1066180885.db2.gz JNSCRERMVXDZHH-IYZQMXKPSA-N 1 1 466.630 2.781 20 0 JFADMO CC/C=C\Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001293721991 1066182140 /nfs/dbraw/zinc/18/21/40/1066182140.db2.gz QVJGIJSHIBWVNW-DSQZMVHQSA-N 1 1 458.632 2.783 20 0 JFADMO CC/C=C/Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001293721992 1066182162 /nfs/dbraw/zinc/18/21/62/1066182162.db2.gz QVJGIJSHIBWVNW-OBNUAKFSSA-N 1 1 458.632 2.783 20 0 JFADMO CC/C=C/Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293726207 1066185237 /nfs/dbraw/zinc/18/52/37/1066185237.db2.gz PPYZIWZLOWRAGN-YLMNIDRGSA-N 1 1 460.667 2.891 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1C[N@@H+](C)CCN1C ZINC001293744584 1066213630 /nfs/dbraw/zinc/21/36/30/1066213630.db2.gz JATZQIVPIRTXCE-HOYKHHGWSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC001293744584 1066213651 /nfs/dbraw/zinc/21/36/51/1066213651.db2.gz JATZQIVPIRTXCE-HOYKHHGWSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CN(C)CC[N@H+]1C ZINC001293744584 1066213665 /nfs/dbraw/zinc/21/36/65/1066213665.db2.gz JATZQIVPIRTXCE-HOYKHHGWSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC001293745383 1066215154 /nfs/dbraw/zinc/21/51/54/1066215154.db2.gz PGHOOIDWYSTOOM-XPTSAGLGSA-N 1 1 456.155 2.962 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001293754509 1066229957 /nfs/dbraw/zinc/22/99/57/1066229957.db2.gz BEIYHISLFRUMER-JOCHJYFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001293754509 1066229980 /nfs/dbraw/zinc/22/99/80/1066229980.db2.gz BEIYHISLFRUMER-JOCHJYFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001293754509 1066229995 /nfs/dbraw/zinc/22/99/95/1066229995.db2.gz BEIYHISLFRUMER-JOCHJYFZSA-N 1 1 499.679 2.919 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001293757697 1066239309 /nfs/dbraw/zinc/23/93/09/1066239309.db2.gz YLKDVYCHUCUUGU-RTWAWAEBSA-N 1 1 473.666 2.550 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001293766179 1066254938 /nfs/dbraw/zinc/25/49/38/1066254938.db2.gz DYGPIXHUDFWLFJ-UHFFFAOYSA-N 1 1 484.645 2.950 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001293773067 1066262474 /nfs/dbraw/zinc/26/24/74/1066262474.db2.gz FWRHSKIQSILRQL-NRFANRHFSA-N 1 1 453.635 2.881 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293786086 1066286643 /nfs/dbraw/zinc/28/66/43/1066286643.db2.gz DVFBUCRAEFTXDR-FGZHOGPDSA-N 1 1 483.661 2.830 20 0 JFADMO CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293797023 1066305845 /nfs/dbraw/zinc/30/58/45/1066305845.db2.gz GQLBEQDLVJLHIJ-RUZDIDTESA-N 1 1 472.609 2.917 20 0 JFADMO CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293797024 1066305935 /nfs/dbraw/zinc/30/59/35/1066305935.db2.gz GQLBEQDLVJLHIJ-VWLOTQADSA-N 1 1 472.609 2.917 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293821785 1066329438 /nfs/dbraw/zinc/32/94/38/1066329438.db2.gz VODUJEIXLIPKRN-RDPSFJRHSA-N 1 1 458.582 2.632 20 0 JFADMO CCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001293824586 1066333385 /nfs/dbraw/zinc/33/33/85/1066333385.db2.gz XSIFVFPXSCEMRK-CJFMBICVSA-N 1 1 473.618 2.673 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001293832807 1066336032 /nfs/dbraw/zinc/33/60/32/1066336032.db2.gz AHHKNCFDCBSKAV-BJKOFHAPSA-N 1 1 461.582 2.848 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293833688 1066337952 /nfs/dbraw/zinc/33/79/52/1066337952.db2.gz GBTJCNPCTIKDIC-CPJSRVTESA-N 1 1 474.625 2.764 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293850197 1066355510 /nfs/dbraw/zinc/35/55/10/1066355510.db2.gz NTRNNHIZESICGX-RTWAWAEBSA-N 1 1 454.619 2.656 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001293851914 1066357741 /nfs/dbraw/zinc/35/77/41/1066357741.db2.gz WSSIWDLRQYGVGN-MZKRTTBSSA-N 1 1 484.645 2.663 20 0 JFADMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC001293855423 1066362545 /nfs/dbraw/zinc/36/25/45/1066362545.db2.gz NMJQNONKZJAEFR-UHFFFAOYSA-N 1 1 455.378 2.605 20 0 JFADMO CCc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293859325 1066367395 /nfs/dbraw/zinc/36/73/95/1066367395.db2.gz CTEZJVKFQRIHPK-UHFFFAOYSA-N 1 1 454.571 2.595 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001293882877 1066388191 /nfs/dbraw/zinc/38/81/91/1066388191.db2.gz KLEVCPOMYHFHJH-IQGLISFBSA-N 1 1 467.618 2.614 20 0 JFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC001293914343 1066398692 /nfs/dbraw/zinc/39/86/92/1066398692.db2.gz LTPKOQFPUNKQJF-UHFFFAOYSA-N 1 1 450.992 2.606 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001293914194 1066398830 /nfs/dbraw/zinc/39/88/30/1066398830.db2.gz KOUSGYIGPOIJKJ-UHFFFAOYSA-N 1 1 458.628 2.611 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCOCC2)C1 ZINC001293935842 1066417686 /nfs/dbraw/zinc/41/76/86/1066417686.db2.gz GIZQVFMHFSRSDL-UNMCSNQZSA-N 1 1 469.634 2.584 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293935955 1066417843 /nfs/dbraw/zinc/41/78/43/1066417843.db2.gz GQDUNJWLAZQKPR-LEWJYISDSA-N 1 1 483.661 2.972 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945630 1066437729 /nfs/dbraw/zinc/43/77/29/1066437729.db2.gz RDHACSSYXCKFDU-FYYLOGMGSA-N 1 1 482.677 2.715 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)OC ZINC001293959289 1066457907 /nfs/dbraw/zinc/45/79/07/1066457907.db2.gz OQXQIRPKDDUNOX-CEWLAPEOSA-N 1 1 490.674 2.683 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001293962967 1066462829 /nfs/dbraw/zinc/46/28/29/1066462829.db2.gz RGNHZSLJYCGSII-UXHICEINSA-N 1 1 459.591 2.688 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001293962967 1066462833 /nfs/dbraw/zinc/46/28/33/1066462833.db2.gz RGNHZSLJYCGSII-UXHICEINSA-N 1 1 459.591 2.688 20 0 JFADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001293982770 1066487814 /nfs/dbraw/zinc/48/78/14/1066487814.db2.gz WCNALDZKLFTSEW-WWFXOLRUSA-N 1 1 456.546 2.606 20 0 JFADMO CCC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001293983189 1066488388 /nfs/dbraw/zinc/48/83/88/1066488388.db2.gz HPHUJBAXQURMMP-IFMALSPDSA-N 1 1 454.619 2.926 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293996741 1066498816 /nfs/dbraw/zinc/49/88/16/1066498816.db2.gz LPUGBWJWFHRYEV-GOSISDBHSA-N 1 1 472.700 2.530 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294007379 1066506214 /nfs/dbraw/zinc/50/62/14/1066506214.db2.gz UDBHCLBUKWUMJM-UGKGYDQZSA-N 1 1 473.666 2.628 20 0 JFADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001294050817 1066523109 /nfs/dbraw/zinc/52/31/09/1066523109.db2.gz PVORQHSRTPXPAN-OAHLLOKOSA-N 1 1 451.511 2.586 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC[N@H+]1CCOC ZINC001294054766 1066527137 /nfs/dbraw/zinc/52/71/37/1066527137.db2.gz NJKRCANXOCNDKP-RTWAWAEBSA-N 1 1 484.645 2.920 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001294055324 1066528761 /nfs/dbraw/zinc/52/87/61/1066528761.db2.gz USWLRDWDRPQFJX-NRFANRHFSA-N 1 1 470.618 2.508 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC[N@H+]1CCOC ZINC001294055264 1066528793 /nfs/dbraw/zinc/52/87/93/1066528793.db2.gz SQKUOQNTWRQPIJ-RBUKOAKNSA-N 1 1 452.669 2.639 20 0 JFADMO COc1ccc([C@@H](CC(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)NC(C)=O)cc1 ZINC001294064583 1066534907 /nfs/dbraw/zinc/53/49/07/1066534907.db2.gz MUHPYUQHUOINTG-XMMPIXPASA-N 1 1 454.571 2.527 20 0 JFADMO COCc1nnc(-c2cccc(C(=O)Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)c2)o1 ZINC001294064342 1066535038 /nfs/dbraw/zinc/53/50/38/1066535038.db2.gz KNCULUVHJXBRIZ-UHFFFAOYSA-N 1 1 451.527 2.762 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)c3ccc4[nH]c(C(C)(C)CO)nc4c3)cc2)CC1 ZINC001294064770 1066535053 /nfs/dbraw/zinc/53/50/53/1066535053.db2.gz PPFRCMZZAHYTBK-UHFFFAOYSA-N 1 1 451.571 2.711 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294066831 1066536925 /nfs/dbraw/zinc/53/69/25/1066536925.db2.gz FFRMPNHIQLALKG-OFVILXPXSA-N 1 1 473.618 2.696 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001294067017 1066537291 /nfs/dbraw/zinc/53/72/91/1066537291.db2.gz LSKWLFQGKMGXJZ-JOCHJYFZSA-N 1 1 457.619 2.814 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001294070018 1066540453 /nfs/dbraw/zinc/54/04/53/1066540453.db2.gz USXWRLLPYZUHNQ-NRFANRHFSA-N 1 1 492.571 2.716 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC[N@H+]1CCOC ZINC001294072594 1066541588 /nfs/dbraw/zinc/54/15/88/1066541588.db2.gz HCUUYLNZYMLARA-NTKDMRAZSA-N 1 1 454.575 2.778 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294076803 1066545905 /nfs/dbraw/zinc/54/59/05/1066545905.db2.gz LISXMOOJQALOPQ-MOPGFXCFSA-N 1 1 450.534 2.701 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001294077859 1066546800 /nfs/dbraw/zinc/54/68/00/1066546800.db2.gz STZJCDTUURTQON-KCZVDYSFSA-N 1 1 459.639 2.821 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294081926 1066549939 /nfs/dbraw/zinc/54/99/39/1066549939.db2.gz IUOBVRLKJDUFSB-KZNAEPCWSA-N 1 1 454.566 2.602 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001294082370 1066551157 /nfs/dbraw/zinc/55/11/57/1066551157.db2.gz QVSKTYLEGRRZHF-BKSPAHHJSA-N 1 1 475.634 2.837 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001294082632 1066552255 /nfs/dbraw/zinc/55/22/55/1066552255.db2.gz MKETYTMIHKCBHL-GUDVDZBRSA-N 1 1 468.593 2.992 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001294085578 1066555994 /nfs/dbraw/zinc/55/59/94/1066555994.db2.gz UWHRUTPNJAUENE-FCHUYYIVSA-N 1 1 454.619 2.717 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC[N@H+]1CCOC ZINC001294087840 1066559998 /nfs/dbraw/zinc/55/99/98/1066559998.db2.gz XYNBOVXTOJMORS-NLFFAJNJSA-N 1 1 460.667 2.815 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629579 719089372 /nfs/dbraw/zinc/08/93/72/719089372.db2.gz SRYDUWCHXBYGCW-IFMALSPDSA-N 1 1 451.571 2.591 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629581 719090192 /nfs/dbraw/zinc/09/01/92/719090192.db2.gz SRYDUWCHXBYGCW-IRLDBZIGSA-N 1 1 451.571 2.591 20 0 JFADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@H+]4CC[C@@H](CO)C4)C[C@H]3O2)n1 ZINC001164648142 719300147 /nfs/dbraw/zinc/30/01/47/719300147.db2.gz FTNYLNMEDAGGLY-JZZBYWGLSA-N 1 1 498.628 2.928 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)cn4)C3)C2)cc[nH+]1 ZINC001164665998 719356752 /nfs/dbraw/zinc/35/67/52/719356752.db2.gz ZQJFRNBSWDJDBV-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN([C@@H](F)Oc4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164664251 719357250 /nfs/dbraw/zinc/35/72/50/719357250.db2.gz NEELAJYWLKBBEK-TZIWHRDSSA-N 1 1 450.946 2.842 20 0 JFADMO CN1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667820 719426938 /nfs/dbraw/zinc/42/69/38/719426938.db2.gz HIXZVKOQBKGMHB-WOJBJXKFSA-N 1 1 468.985 2.916 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164681578 719672128 /nfs/dbraw/zinc/67/21/28/719672128.db2.gz NCRWLRHKAQJUPR-GOSISDBHSA-N 1 1 490.608 2.838 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(=O)NC4CCOCC4)nn2)CC3)cs1 ZINC001164691728 719815389 /nfs/dbraw/zinc/81/53/89/719815389.db2.gz JZJVKCJIFNQJGV-UHFFFAOYSA-N 1 1 456.616 2.785 20 0 JFADMO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164697411 719834742 /nfs/dbraw/zinc/83/47/42/719834742.db2.gz XTGDXPGBEHHHMR-JOCHJYFZSA-N 1 1 482.592 2.879 20 0 JFADMO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164697411 719834744 /nfs/dbraw/zinc/83/47/44/719834744.db2.gz XTGDXPGBEHHHMR-JOCHJYFZSA-N 1 1 482.592 2.879 20 0 JFADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164702709 719848646 /nfs/dbraw/zinc/84/86/46/719848646.db2.gz PDQSXDPORWBCBQ-WNCULLNHSA-N 1 1 464.610 2.873 20 0 JFADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164702709 719848647 /nfs/dbraw/zinc/84/86/47/719848647.db2.gz PDQSXDPORWBCBQ-WNCULLNHSA-N 1 1 464.610 2.873 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1 ZINC001164699907 719866119 /nfs/dbraw/zinc/86/61/19/719866119.db2.gz CVJVLBPMSIVYLH-MWTRTKDXSA-N 1 1 476.961 2.693 20 0 JFADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2sccc21 ZINC001164701803 719875691 /nfs/dbraw/zinc/87/56/91/719875691.db2.gz HSNKBTZMWZBKIZ-HXOBKFHXSA-N 1 1 453.568 2.986 20 0 JFADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164710334 720052050 /nfs/dbraw/zinc/05/20/50/720052050.db2.gz DZDPPKRBKWKTAC-JBBQQGGESA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164710332 720052387 /nfs/dbraw/zinc/05/23/87/720052387.db2.gz DZDPPKRBKWKTAC-GEWUYGHSSA-N 1 1 484.604 2.844 20 0 JFADMO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)[C@@H]2CCCO[C@H]12 ZINC001164710728 720062221 /nfs/dbraw/zinc/06/22/21/720062221.db2.gz GFZKCIBPDWVBQH-UPZYVNNASA-N 1 1 460.619 2.653 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164714104 720132758 /nfs/dbraw/zinc/13/27/58/720132758.db2.gz WEWWNRNRRSORNU-OAQYLSRUSA-N 1 1 456.587 2.768 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001164820141 720152647 /nfs/dbraw/zinc/15/26/47/720152647.db2.gz ZPLXCTRNSDCGNX-YADARESESA-N 1 1 472.611 2.857 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815942 720158760 /nfs/dbraw/zinc/15/87/60/720158760.db2.gz IZKLKEWVGZPRNX-OFVILXPXSA-N 1 1 481.622 2.853 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817813 720173702 /nfs/dbraw/zinc/17/37/02/720173702.db2.gz QIMKNWHIBUPJPY-CVDCTZTESA-N 1 1 450.649 2.733 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164815569 720174178 /nfs/dbraw/zinc/17/41/78/720174178.db2.gz IIHMWHLWWNVFMC-AUSIDOKSSA-N 1 1 450.649 2.733 20 0 JFADMO COc1cc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164716516 720184613 /nfs/dbraw/zinc/18/46/13/720184613.db2.gz GIJJLRANIAMYDF-FQEVSTJZSA-N 1 1 452.559 2.597 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813273 720205263 /nfs/dbraw/zinc/20/52/63/720205263.db2.gz NXEZKSXZYXSWGA-VQIMIIECSA-N 1 1 463.978 2.868 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164813531 720221098 /nfs/dbraw/zinc/22/10/98/720221098.db2.gz NPCVNCXEALGCOP-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CCC2 ZINC001164812964 720240045 /nfs/dbraw/zinc/24/00/45/720240045.db2.gz LCZAECATLYOWEJ-UHFFFAOYSA-N 1 1 451.909 2.963 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)C2)C1 ZINC001164721232 720285840 /nfs/dbraw/zinc/28/58/40/720285840.db2.gz HZSMSLYZBVWPTM-FNZWTVRRSA-N 1 1 466.630 2.673 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)C2)C1 ZINC001164721232 720285851 /nfs/dbraw/zinc/28/58/51/720285851.db2.gz HZSMSLYZBVWPTM-FNZWTVRRSA-N 1 1 466.630 2.673 20 0 JFADMO COCCOc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1OCCOC ZINC001164727765 720348756 /nfs/dbraw/zinc/34/87/56/720348756.db2.gz UNDHFQUMOAEWID-GOTSBHOMSA-N 1 1 479.581 2.928 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)CC1 ZINC001164837305 720568368 /nfs/dbraw/zinc/56/83/68/720568368.db2.gz LPSDLIHAQCRGJY-XPWALMASSA-N 1 1 481.645 2.830 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)CC[C@@H]21 ZINC001164840695 720585518 /nfs/dbraw/zinc/58/55/18/720585518.db2.gz QIQSBFWXSWAFSA-MPGHIAIKSA-N 1 1 488.992 2.502 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842236 720591530 /nfs/dbraw/zinc/59/15/30/720591530.db2.gz UVBRUQQWVUJATI-RVKKMQEKSA-N 1 1 452.937 2.953 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164837774 720607526 /nfs/dbraw/zinc/60/75/26/720607526.db2.gz JIDXZKQPWMKOHN-TUNNFDKTSA-N 1 1 453.591 2.566 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835557 720612082 /nfs/dbraw/zinc/61/20/82/720612082.db2.gz BFLHAQXZDFNWEX-RZUBCFFCSA-N 1 1 473.021 2.782 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)CC[C@@H]21 ZINC001164837318 720623121 /nfs/dbraw/zinc/62/31/21/720623121.db2.gz IAAHQQGDUSZXAM-FSSWDIPSSA-N 1 1 472.659 2.831 20 0 JFADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740074 720662219 /nfs/dbraw/zinc/66/22/19/720662219.db2.gz PNTXAALTZSPVTC-MSOLQXFVSA-N 1 1 462.945 2.660 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164740357 720750287 /nfs/dbraw/zinc/75/02/87/720750287.db2.gz KFXIDPLEXYMCGF-ZIAGYGMSSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164740357 720750293 /nfs/dbraw/zinc/75/02/93/720750293.db2.gz KFXIDPLEXYMCGF-ZIAGYGMSSA-N 1 1 453.877 2.589 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740965 720754937 /nfs/dbraw/zinc/75/49/37/720754937.db2.gz LUCIAYRTFKMPAJ-JKSUJKDBSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740965 720754945 /nfs/dbraw/zinc/75/49/45/720754945.db2.gz LUCIAYRTFKMPAJ-JKSUJKDBSA-N 1 1 459.888 2.869 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164746435 720758547 /nfs/dbraw/zinc/75/85/47/720758547.db2.gz YBQSAGXNSNFXKR-JKSUJKDBSA-N 1 1 454.556 2.617 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164742177 720772058 /nfs/dbraw/zinc/77/20/58/720772058.db2.gz NPRVQSBPQFDUKI-HIFRSBDPSA-N 1 1 462.888 2.969 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc(Cl)c2c1 ZINC001164742177 720772067 /nfs/dbraw/zinc/77/20/67/720772067.db2.gz NPRVQSBPQFDUKI-HIFRSBDPSA-N 1 1 462.888 2.969 20 0 JFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744868 720804423 /nfs/dbraw/zinc/80/44/23/720804423.db2.gz JALJNGWKUSXINT-GJZGRUSLSA-N 1 1 454.865 2.504 20 0 JFADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164748204 720807644 /nfs/dbraw/zinc/80/76/44/720807644.db2.gz QAPDVADEJINJKW-VXGBXAGGSA-N 1 1 453.906 2.503 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164747812 720812056 /nfs/dbraw/zinc/81/20/56/720812056.db2.gz POGCMGBGLKOZJM-SOLBZPMBSA-N 1 1 495.962 2.823 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl ZINC001164747807 720812225 /nfs/dbraw/zinc/81/22/25/720812225.db2.gz POGCMGBGLKOZJM-JFIYKMOQSA-N 1 1 495.962 2.823 20 0 JFADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743231 720821219 /nfs/dbraw/zinc/82/12/19/720821219.db2.gz RLVHGRNKXLPNKV-IPMKNSEASA-N 1 1 454.579 2.795 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744561 720828252 /nfs/dbraw/zinc/82/82/52/720828252.db2.gz VFFHBEHPZRQNOD-IXDOHACOSA-N 1 1 492.049 3.000 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740589 720835685 /nfs/dbraw/zinc/83/56/85/720835685.db2.gz DAONOHLJMYETNM-FUPPJEDESA-N 1 1 487.587 2.985 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744717 720840237 /nfs/dbraw/zinc/84/02/37/720840237.db2.gz LHSYEOAJOJOKBC-NNMXDRDESA-N 1 1 495.628 2.824 20 0 JFADMO COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750285 720843103 /nfs/dbraw/zinc/84/31/03/720843103.db2.gz WZUPWACJUSXMKI-HLLBOEOZSA-N 1 1 453.925 2.654 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164851259 720845538 /nfs/dbraw/zinc/84/55/38/720845538.db2.gz GILAFLBQHXYKNS-MOPGFXCFSA-N 1 1 456.978 2.702 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)C1 ZINC001164743025 720846705 /nfs/dbraw/zinc/84/67/05/720846705.db2.gz IEQFBZCKTGMHDA-OUJCMCIWSA-N 1 1 463.630 2.925 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751075 720853538 /nfs/dbraw/zinc/85/35/38/720853538.db2.gz PYZZWOFOBMWQOW-DMTNHVFBSA-N 1 1 499.667 2.774 20 0 JFADMO COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749606 720859599 /nfs/dbraw/zinc/85/95/99/720859599.db2.gz NWJMLMAUTJJUGA-BFYDXBDKSA-N 1 1 453.925 2.654 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1N1CCOCC1 ZINC001164746982 720861986 /nfs/dbraw/zinc/86/19/86/720861986.db2.gz HJGXPIIZCUMQKK-RCCFBDPRSA-N 1 1 493.443 2.591 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@H]2C1 ZINC001164862224 720872594 /nfs/dbraw/zinc/87/25/94/720872594.db2.gz RKGFIBMDVKNICG-DLBZAZTESA-N 1 1 453.921 2.910 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@H]2C1 ZINC001164863692 720872968 /nfs/dbraw/zinc/87/29/68/720872968.db2.gz UACLURYRPSNAGS-DLBZAZTESA-N 1 1 453.921 2.910 20 0 JFADMO NC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164755729 720874184 /nfs/dbraw/zinc/87/41/84/720874184.db2.gz YIXIOZPTHBSUJV-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(Cl)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755835 720874872 /nfs/dbraw/zinc/87/48/72/720874872.db2.gz ZBKBARBIOVOIGB-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164756013 720882638 /nfs/dbraw/zinc/88/26/38/720882638.db2.gz OCNXPTJFVPQAGH-CJFMBICVSA-N 1 1 496.637 2.512 20 0 JFADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752841 720886502 /nfs/dbraw/zinc/88/65/02/720886502.db2.gz GBVAJPDDMMDGEF-LVXARBLLSA-N 1 1 481.597 2.812 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164758852 720895371 /nfs/dbraw/zinc/89/53/71/720895371.db2.gz ZWRMJDPYTNFHJV-ZBLYBZFDSA-N 1 1 488.592 2.962 20 0 JFADMO CN(C)c1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2nc[nH]c21 ZINC001164755002 720895971 /nfs/dbraw/zinc/89/59/71/720895971.db2.gz KDCRQCYERRJKCV-CJFMBICVSA-N 1 1 462.602 2.569 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756521 720896751 /nfs/dbraw/zinc/89/67/51/720896751.db2.gz PYDMTCFPPAVKIP-RDGATRHJSA-N 1 1 485.654 2.530 20 0 JFADMO CON(C)C(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749974 720899138 /nfs/dbraw/zinc/89/91/38/720899138.db2.gz BFTWTGVMSFRLJR-NVQXNPDNSA-N 1 1 465.598 2.865 20 0 JFADMO CON(C)C(=O)c1cccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749968 720899538 /nfs/dbraw/zinc/89/95/38/720899538.db2.gz BFTWTGVMSFRLJR-BKMJKUGQSA-N 1 1 465.598 2.865 20 0 JFADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]12)c1ccno1 ZINC001164853449 720907634 /nfs/dbraw/zinc/90/76/34/720907634.db2.gz AOMVQEUOQMHUTD-SLSDLSHTSA-N 1 1 473.577 2.899 20 0 JFADMO Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747885 720929852 /nfs/dbraw/zinc/92/98/52/720929852.db2.gz DPJQSKQWFFEPMG-RCZVLFRGSA-N 1 1 460.586 2.516 20 0 JFADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861990 721032353 /nfs/dbraw/zinc/03/23/53/721032353.db2.gz JIKLAPAQPOTGEP-UHFFFAOYSA-N 1 1 477.903 2.746 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164863293 721037418 /nfs/dbraw/zinc/03/74/18/721037418.db2.gz QMGBVYJGRWOWBB-ZEQKJWHPSA-N 1 1 462.598 2.868 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164868366 721045185 /nfs/dbraw/zinc/04/51/85/721045185.db2.gz OFPDMLJYYJSVCY-WOJBJXKFSA-N 1 1 472.549 2.934 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164871020 721053063 /nfs/dbraw/zinc/05/30/63/721053063.db2.gz XTLQWDSLRLHEAX-ZWKOTPCHSA-N 1 1 453.930 2.945 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164765285 721063893 /nfs/dbraw/zinc/06/38/93/721063893.db2.gz COOBDQYSQZMIEX-OYRHQHFDSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164765285 721063895 /nfs/dbraw/zinc/06/38/95/721063895.db2.gz COOBDQYSQZMIEX-OYRHQHFDSA-N 1 1 472.593 2.540 20 0 JFADMO c1ccc(CN2CCc3c(ncnc3N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078819 /nfs/dbraw/zinc/07/88/19/721078819.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 1 1 456.594 2.910 20 0 JFADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864561 721090395 /nfs/dbraw/zinc/09/03/95/721090395.db2.gz GHXDQNQCBZIKAW-PMACEKPBSA-N 1 1 464.570 2.853 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864860 721090962 /nfs/dbraw/zinc/09/09/62/721090962.db2.gz GXIRSNNKXDTWDR-QZTJIDSGSA-N 1 1 453.930 2.945 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164772235 721132686 /nfs/dbraw/zinc/13/26/86/721132686.db2.gz UOYOSJSRLFFYPB-KCZVDYSFSA-N 1 1 478.645 2.672 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164774101 721134208 /nfs/dbraw/zinc/13/42/08/721134208.db2.gz ZURVDPAGWBHRLT-MOPGFXCFSA-N 1 1 451.575 2.670 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164877605 721134349 /nfs/dbraw/zinc/13/43/49/721134349.db2.gz OZVLRNYSIBYBDA-FCHUYYIVSA-N 1 1 490.589 2.543 20 0 JFADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874450 721139509 /nfs/dbraw/zinc/13/95/09/721139509.db2.gz KABFOVQPSWWZQA-JKSUJKDBSA-N 1 1 452.889 2.941 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164762576 721175138 /nfs/dbraw/zinc/17/51/38/721175138.db2.gz CVNASFMHQCBOIL-LEWJYISDSA-N 1 1 496.637 2.973 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164762576 721175145 /nfs/dbraw/zinc/17/51/45/721175145.db2.gz CVNASFMHQCBOIL-LEWJYISDSA-N 1 1 496.637 2.973 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164762582 721176013 /nfs/dbraw/zinc/17/60/13/721176013.db2.gz CVNASFMHQCBOIL-RTWAWAEBSA-N 1 1 496.637 2.973 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164762582 721176026 /nfs/dbraw/zinc/17/60/26/721176026.db2.gz CVNASFMHQCBOIL-RTWAWAEBSA-N 1 1 496.637 2.973 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@H]3C2)cn1 ZINC001164770943 721187595 /nfs/dbraw/zinc/18/75/95/721187595.db2.gz PGMIKCRWHGRZGT-IAGOWNOFSA-N 1 1 452.563 2.997 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164774393 721199660 /nfs/dbraw/zinc/19/96/60/721199660.db2.gz YUPUYLHKWYNIKO-WOJBJXKFSA-N 1 1 493.681 2.704 20 0 JFADMO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164765728 721200162 /nfs/dbraw/zinc/20/01/62/721200162.db2.gz IDHJBGLVFYRTLZ-RTWAWAEBSA-N 1 1 481.670 2.832 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164773396 721211135 /nfs/dbraw/zinc/21/11/35/721211135.db2.gz WYKGXPNLFISIFE-VXKWHMMOSA-N 1 1 476.604 2.634 20 0 JFADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164870665 721213149 /nfs/dbraw/zinc/21/31/49/721213149.db2.gz GZDQCGYQEZYIJZ-WZONZLPQSA-N 1 1 456.978 2.679 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164766630 721252873 /nfs/dbraw/zinc/25/28/73/721252873.db2.gz UZLPIAXQXFJOEK-NKKJXINNSA-N 1 1 473.577 2.643 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164766630 721252876 /nfs/dbraw/zinc/25/28/76/721252876.db2.gz UZLPIAXQXFJOEK-NKKJXINNSA-N 1 1 473.577 2.643 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164766635 721253076 /nfs/dbraw/zinc/25/30/76/721253076.db2.gz UZLPIAXQXFJOEK-TUACAJSNSA-N 1 1 473.577 2.643 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164766635 721253080 /nfs/dbraw/zinc/25/30/80/721253080.db2.gz UZLPIAXQXFJOEK-TUACAJSNSA-N 1 1 473.577 2.643 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)C1 ZINC001164872297 721262538 /nfs/dbraw/zinc/26/25/38/721262538.db2.gz CVEXSLFGEYQNCU-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC2)C1 ZINC001164878161 721264576 /nfs/dbraw/zinc/26/45/76/721264576.db2.gz SSOMTRCKGHKCLV-UHFFFAOYSA-N 1 1 467.948 2.835 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC2)C1 ZINC001164869317 721266328 /nfs/dbraw/zinc/26/63/28/721266328.db2.gz JQGQLQRGMPWZPD-UHFFFAOYSA-N 1 1 473.977 2.897 20 0 JFADMO CSc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)ncn2)cc1 ZINC001164873505 721282727 /nfs/dbraw/zinc/28/27/27/721282727.db2.gz NDOXXOQPXKFMTA-UHFFFAOYSA-N 1 1 471.627 2.998 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164879963 721307328 /nfs/dbraw/zinc/30/73/28/721307328.db2.gz OFXMFDJHGGZHKK-SZPZYZBQSA-N 1 1 475.618 2.792 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164879963 721307331 /nfs/dbraw/zinc/30/73/31/721307331.db2.gz OFXMFDJHGGZHKK-SZPZYZBQSA-N 1 1 475.618 2.792 20 0 JFADMO CCN1CC[C@]2(CN(c3nccc(NC(=O)C(C)(C)C)c3C[N@H+]3CC[C@@H](CO)C3)C[C@H]2C)C1=O ZINC001164776079 721320086 /nfs/dbraw/zinc/32/00/86/721320086.db2.gz BZAJQCOGVNTCDR-LJKQEARRSA-N 1 1 471.646 2.575 20 0 JFADMO CN(C)C1=NOC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)CC2 ZINC001164876501 721325991 /nfs/dbraw/zinc/32/59/91/721325991.db2.gz IKHFOGQHARZKNW-GOSISDBHSA-N 1 1 472.634 2.515 20 0 JFADMO CN(C)C1=NOC2(C1)CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)CC2 ZINC001164876503 721326157 /nfs/dbraw/zinc/32/61/57/721326157.db2.gz IKHFOGQHARZKNW-SFHVURJKSA-N 1 1 472.634 2.515 20 0 JFADMO CCOc1ccc(C(=O)OC)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779779 721355146 /nfs/dbraw/zinc/35/51/46/721355146.db2.gz WLNDWFAVSXYCJN-DEOSSOPVSA-N 1 1 458.559 2.991 20 0 JFADMO CCOc1ccc(C(=O)OC)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164779779 721355153 /nfs/dbraw/zinc/35/51/53/721355153.db2.gz WLNDWFAVSXYCJN-DEOSSOPVSA-N 1 1 458.559 2.991 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C2)C1 ZINC001164779960 721367564 /nfs/dbraw/zinc/36/75/64/721367564.db2.gz BPGJXOFRXVUGKG-AREMUKBSSA-N 1 1 496.612 2.636 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCCC4)nn3)C2)C1 ZINC001164780039 721369699 /nfs/dbraw/zinc/36/96/99/721369699.db2.gz COUYEBMNOKPAGS-RUZDIDTESA-N 1 1 468.602 2.873 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)NC4CCCC4)nn3)C2)C1 ZINC001164780039 721369703 /nfs/dbraw/zinc/36/97/03/721369703.db2.gz COUYEBMNOKPAGS-RUZDIDTESA-N 1 1 468.602 2.873 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCCC4)nn3)C2)C1 ZINC001164780044 721369714 /nfs/dbraw/zinc/36/97/14/721369714.db2.gz COUYEBMNOKPAGS-VWLOTQADSA-N 1 1 468.602 2.873 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C(=O)NC4CCCC4)nn3)C2)C1 ZINC001164780044 721369718 /nfs/dbraw/zinc/36/97/18/721369718.db2.gz COUYEBMNOKPAGS-VWLOTQADSA-N 1 1 468.602 2.873 20 0 JFADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164788362 721377139 /nfs/dbraw/zinc/37/71/39/721377139.db2.gz YSXJCGJUJWCKAR-HSZRJFAPSA-N 1 1 477.009 2.994 20 0 JFADMO CCCNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164788362 721377144 /nfs/dbraw/zinc/37/71/44/721377144.db2.gz YSXJCGJUJWCKAR-HSZRJFAPSA-N 1 1 477.009 2.994 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164887871 721381176 /nfs/dbraw/zinc/38/11/76/721381176.db2.gz ISXILLDCJHBWCF-MHECFPHRSA-N 1 1 473.643 2.942 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)NCc4ccccc4)C3)O2)CC1 ZINC001164886308 721387636 /nfs/dbraw/zinc/38/76/36/721387636.db2.gz FBJVVBRRCSBGJS-HOFKKMOUSA-N 1 1 463.626 2.777 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164885724 721391767 /nfs/dbraw/zinc/39/17/67/721391767.db2.gz DHBXIGNJQAJFQA-OXJNMPFZSA-N 1 1 458.985 2.506 20 0 JFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891400 721401566 /nfs/dbraw/zinc/40/15/66/721401566.db2.gz VVSVXJODMQULAR-FDDCHVKYSA-N 1 1 451.011 2.986 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788527 721402596 /nfs/dbraw/zinc/40/25/96/721402596.db2.gz STHZQNHYFLXOAC-CALCHBBNSA-N 1 1 466.592 2.693 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788527 721402600 /nfs/dbraw/zinc/40/26/00/721402600.db2.gz STHZQNHYFLXOAC-CALCHBBNSA-N 1 1 466.592 2.693 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164883542 721403940 /nfs/dbraw/zinc/40/39/40/721403940.db2.gz APRULXQBZOYFPD-KKSFZXQISA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883540 721404313 /nfs/dbraw/zinc/40/43/13/721404313.db2.gz APRULXQBZOYFPD-IERDGZPVSA-N 1 1 472.964 2.832 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164781758 721410129 /nfs/dbraw/zinc/41/01/29/721410129.db2.gz DTLAVBIELVAMCV-TXPKVOOTSA-N 1 1 453.616 2.981 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)C3)O2)CC1 ZINC001164890153 721420707 /nfs/dbraw/zinc/42/07/07/721420707.db2.gz SDZHWLRYEMPBPP-RLWLMLJZSA-N 1 1 479.604 2.779 20 0 JFADMO Cc1cc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884561 721421422 /nfs/dbraw/zinc/42/14/22/721421422.db2.gz DWZAWRZMDFCQLY-NLFFAJNJSA-N 1 1 486.686 2.602 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH]c(Cl)cc-2n1 ZINC001164890286 721425029 /nfs/dbraw/zinc/42/50/29/721425029.db2.gz DBANVPRMQTZDKS-QMHKHESXSA-N 1 1 461.994 2.768 20 0 JFADMO CN(C)c1ccc(-c2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164896140 721427767 /nfs/dbraw/zinc/42/77/67/721427767.db2.gz QQRQUPYNFWFQRD-OZXSUGGESA-N 1 1 450.631 2.975 20 0 JFADMO CN(C)c1ccc(-c2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164896137 721427770 /nfs/dbraw/zinc/42/77/70/721427770.db2.gz QQRQUPYNFWFQRD-BVAGGSTKSA-N 1 1 450.631 2.975 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001164890258 721433774 /nfs/dbraw/zinc/43/37/74/721433774.db2.gz CUTSNJCSYUCKBO-GJZUVCINSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)O2)CC1 ZINC001164896153 721436260 /nfs/dbraw/zinc/43/62/60/721436260.db2.gz QSJCVGHHFZXADN-IIBYNOLFSA-N 1 1 455.981 2.929 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888682 721439070 /nfs/dbraw/zinc/43/90/70/721439070.db2.gz AIQGILWBPIBQFN-FOIQADDNSA-N 1 1 454.953 2.922 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1 ZINC001164888671 721441039 /nfs/dbraw/zinc/44/10/39/721441039.db2.gz ACQNERVXEANQBS-LVXARBLLSA-N 1 1 467.614 2.926 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C)c1C(N)=O)CC2 ZINC001164787669 721451609 /nfs/dbraw/zinc/45/16/09/721451609.db2.gz PHXCAPOTEXBCOD-GOSISDBHSA-N 1 1 451.011 2.876 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(F)cc1C(N)=O)CC2 ZINC001164783351 721455276 /nfs/dbraw/zinc/45/52/76/721455276.db2.gz BPUSTPBZFBBGTE-INIZCTEOSA-N 1 1 454.974 2.707 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164789217 721461469 /nfs/dbraw/zinc/46/14/69/721461469.db2.gz VWGXMUUVBVEARD-HNNXBMFYSA-N 1 1 472.417 2.616 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164783695 721461864 /nfs/dbraw/zinc/46/18/64/721461864.db2.gz FKMCDCRUQSOPJE-LJQANCHMSA-N 1 1 469.586 2.545 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164784351 721463052 /nfs/dbraw/zinc/46/30/52/721463052.db2.gz HLUDRFOIRPHDGJ-QFIPXVFZSA-N 1 1 492.686 2.600 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164791247 721467284 /nfs/dbraw/zinc/46/72/84/721467284.db2.gz VZJKVYFSQNFXPX-JOCHJYFZSA-N 1 1 492.686 2.600 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)cc2C1 ZINC001164788290 721473871 /nfs/dbraw/zinc/47/38/71/721473871.db2.gz IVVLMLSUKNFAHM-GGAORHGYSA-N 1 1 486.657 2.879 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899511 721495280 /nfs/dbraw/zinc/49/52/80/721495280.db2.gz KUFGAJJMHFHRFQ-NNMXDRDESA-N 1 1 480.642 2.777 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@@H]2C1=O ZINC001164905534 721575414 /nfs/dbraw/zinc/57/54/14/721575414.db2.gz ZVDIJXUVOIARDL-HKUYNNGSSA-N 1 1 469.655 2.953 20 0 JFADMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCCCCC2)n1 ZINC001164805358 721575890 /nfs/dbraw/zinc/57/58/90/721575890.db2.gz MVGRAGUKVFALNQ-HKBOAZHASA-N 1 1 453.591 2.524 20 0 JFADMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(N2CCCCCC2)n1 ZINC001164805358 721575896 /nfs/dbraw/zinc/57/58/96/721575896.db2.gz MVGRAGUKVFALNQ-HKBOAZHASA-N 1 1 453.591 2.524 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@H]2CCCO[C@@H]12 ZINC001164810761 721584276 /nfs/dbraw/zinc/58/42/76/721584276.db2.gz WCIBJHRMORFPFJ-QZNHQXDQSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@H]2CCCO[C@@H]12 ZINC001164810761 721584280 /nfs/dbraw/zinc/58/42/80/721584280.db2.gz WCIBJHRMORFPFJ-QZNHQXDQSA-N 1 1 471.627 2.519 20 0 JFADMO COC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C(=O)OC ZINC001164904141 721587108 /nfs/dbraw/zinc/58/71/08/721587108.db2.gz DHZGTEIZKKIWHF-QFIPXVFZSA-N 1 1 460.481 2.788 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)n1 ZINC001164796438 721596165 /nfs/dbraw/zinc/59/61/65/721596165.db2.gz BZVJHSDWXUHWFP-GBESFXJTSA-N 1 1 473.643 2.745 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4c(COCC(=O)N(C)C)nnc4C3)c2c1C ZINC001165009964 721723447 /nfs/dbraw/zinc/72/34/47/721723447.db2.gz CTKOSKUVOASUIW-UHFFFAOYSA-N 1 1 498.657 2.511 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001165008000 721732784 /nfs/dbraw/zinc/73/27/84/721732784.db2.gz IOVSDAVRCMXQLP-UHFFFAOYSA-N 1 1 456.969 2.798 20 0 JFADMO FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913846 721732905 /nfs/dbraw/zinc/73/29/05/721732905.db2.gz YXZDJJIFJZGPAP-HSZRJFAPSA-N 1 1 458.557 2.988 20 0 JFADMO C[NH+]1CCN(c2nccc(N3C[C@@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164913453 721742718 /nfs/dbraw/zinc/74/27/18/721742718.db2.gz VVNIQOPRFZSPPJ-WNCULLNHSA-N 1 1 469.593 2.651 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)n1 ZINC001165010488 721743466 /nfs/dbraw/zinc/74/34/66/721743466.db2.gz MXNCDFGWFQXYGT-UHFFFAOYSA-N 1 1 458.937 2.980 20 0 JFADMO COC(=O)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1C(=O)OC ZINC001164910031 721747444 /nfs/dbraw/zinc/74/74/44/721747444.db2.gz YUVXNJZASOCVMR-UHFFFAOYSA-N 1 1 450.495 2.838 20 0 JFADMO COC(=O)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1C(=O)OC ZINC001164910031 721747447 /nfs/dbraw/zinc/74/74/47/721747447.db2.gz YUVXNJZASOCVMR-UHFFFAOYSA-N 1 1 450.495 2.838 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@H]4C3)c2)CC1 ZINC001165012816 721754214 /nfs/dbraw/zinc/75/42/14/721754214.db2.gz HKCDOTADYQWMHM-GVAUOCQISA-N 1 1 479.625 2.540 20 0 JFADMO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@H]23)cn1 ZINC001165012692 721755878 /nfs/dbraw/zinc/75/58/78/721755878.db2.gz GQPNJIONRLEFBD-RMTZWNOUSA-N 1 1 472.593 2.540 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@H]32)nc1 ZINC001165013564 721758438 /nfs/dbraw/zinc/75/84/38/721758438.db2.gz NVXHJTQVDAUIAI-NXYDZRKXSA-N 1 1 452.603 2.918 20 0 JFADMO O=C(c1cnccn1)N1CCOC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)C1 ZINC001165014531 721759278 /nfs/dbraw/zinc/75/92/78/721759278.db2.gz ZUDZTLLSILUNPG-UHFFFAOYSA-N 1 1 484.604 2.942 20 0 JFADMO CCOc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OCC ZINC001164914856 721783115 /nfs/dbraw/zinc/78/31/15/721783115.db2.gz GLMPMXQVHQUKLX-AREMUKBSSA-N 1 1 479.581 2.930 20 0 JFADMO CCOc1cc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OCC ZINC001164914856 721783119 /nfs/dbraw/zinc/78/31/19/721783119.db2.gz GLMPMXQVHQUKLX-AREMUKBSSA-N 1 1 479.581 2.930 20 0 JFADMO COc1cc2c[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)cc2cc1OC ZINC001164913192 721796254 /nfs/dbraw/zinc/79/62/54/721796254.db2.gz AVJKGZTXFJOWME-RUZDIDTESA-N 1 1 450.539 2.755 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165025496 721818181 /nfs/dbraw/zinc/81/81/81/721818181.db2.gz MXRVRACDXAEKEL-WWNPGLIZSA-N 1 1 464.614 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@@H]21 ZINC001165021431 721827242 /nfs/dbraw/zinc/82/72/42/721827242.db2.gz FPLBXCHTQDTMQW-RZFNWQHOSA-N 1 1 450.587 2.517 20 0 JFADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931014 721883752 /nfs/dbraw/zinc/88/37/52/721883752.db2.gz DZHOCZZUTQRIAP-OALUTQOASA-N 1 1 467.998 2.890 20 0 JFADMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931018 721883955 /nfs/dbraw/zinc/88/39/55/721883955.db2.gz DZHOCZZUTQRIAP-RTBURBONSA-N 1 1 467.998 2.890 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)NC5CCOCC5)nn4)CC3)C2)cc1 ZINC001164940215 721932052 /nfs/dbraw/zinc/93/20/52/721932052.db2.gz SKFUNDNTNVNKMG-UHFFFAOYSA-N 1 1 465.598 2.565 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CN(S(=O)(=O)N(C)C)CC[C@@H]4C3)c2c1C ZINC001164947313 721989198 /nfs/dbraw/zinc/98/91/98/721989198.db2.gz CHDGWZBJZQSEOF-RTBURBONSA-N 1 1 492.715 2.859 20 0 JFADMO c1nc2c(nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2N2CCOCC2)s1 ZINC001164953623 722015164 /nfs/dbraw/zinc/01/51/64/722015164.db2.gz VYQTZQUYXBPMEZ-UHFFFAOYSA-N 1 1 451.600 2.810 20 0 JFADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccnc(N4CC[NH+](C)CC4)n2)C3)n1 ZINC001164957997 722027380 /nfs/dbraw/zinc/02/73/80/722027380.db2.gz CZXZTMUZUNCUNG-DHLKQENFSA-N 1 1 452.603 2.524 20 0 JFADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164961173 722054110 /nfs/dbraw/zinc/05/41/10/722054110.db2.gz UDEPGFPUCPUMHM-UHFFFAOYSA-N 1 1 450.543 2.649 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164959947 722058559 /nfs/dbraw/zinc/05/85/59/722058559.db2.gz ABYUPQSAZVGDQV-UHFFFAOYSA-N 1 1 464.570 2.659 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1C ZINC001164960688 722059368 /nfs/dbraw/zinc/05/93/68/722059368.db2.gz HPTPUVWIBSCRSA-UHFFFAOYSA-N 1 1 484.988 2.922 20 0 JFADMO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2C1 ZINC001164965062 722062352 /nfs/dbraw/zinc/06/23/52/722062352.db2.gz IPNKPMGPLSWXCA-NRFANRHFSA-N 1 1 465.598 2.659 20 0 JFADMO Clc1cc(O[C@@H]2CCOC2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164966447 722062575 /nfs/dbraw/zinc/06/25/75/722062575.db2.gz TVRAJFKUPBOVII-LJQANCHMSA-N 1 1 459.978 2.812 20 0 JFADMO CC(=O)N1CC(=O)NC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164972302 722079348 /nfs/dbraw/zinc/07/93/48/722079348.db2.gz ZZWZGKJVMPOMGS-WGDIFIGCSA-N 1 1 496.681 2.729 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4nccn4C)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164979500 722093327 /nfs/dbraw/zinc/09/33/27/722093327.db2.gz KLTKARSKJVNRQX-WFXMLNOXSA-N 1 1 495.653 2.804 20 0 JFADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2=O)cn1 ZINC001164982443 722095576 /nfs/dbraw/zinc/09/55/76/722095576.db2.gz RDYXQBMHTSAGSD-QFBILLFUSA-N 1 1 477.638 2.999 20 0 JFADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164976478 722101434 /nfs/dbraw/zinc/10/14/34/722101434.db2.gz DJRZSDBFNLCQJA-WBVHZDCISA-N 1 1 451.905 2.501 20 0 JFADMO NC(=O)c1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164976473 722101722 /nfs/dbraw/zinc/10/17/22/722101722.db2.gz DJRZSDBFNLCQJA-NVXWUHKLSA-N 1 1 451.905 2.501 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164983305 722130776 /nfs/dbraw/zinc/13/07/76/722130776.db2.gz TVIVGUDKPLIMTG-MJGOQNOKSA-N 1 1 453.568 2.990 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980302 722133075 /nfs/dbraw/zinc/13/30/75/722133075.db2.gz MPLCKHQILDRGBQ-SIKLNZKXSA-N 1 1 453.587 2.681 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164972549 722137711 /nfs/dbraw/zinc/13/77/11/722137711.db2.gz ACCONUIYEWHKGI-APWZRJJASA-N 1 1 470.961 2.531 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(Cl)n1 ZINC001165001557 722236661 /nfs/dbraw/zinc/23/66/61/722236661.db2.gz IWBSLQLPFFGSGC-UHFFFAOYSA-N 1 1 480.947 2.604 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(C(=O)N4CCCCC4)cc2Cl)CC3)CC1 ZINC001165001518 722238041 /nfs/dbraw/zinc/23/80/41/722238041.db2.gz IAABUVXBAOLNCV-UHFFFAOYSA-N 1 1 470.021 2.508 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC3)CC1 ZINC001165001566 722239553 /nfs/dbraw/zinc/23/95/53/722239553.db2.gz JBAAUDPWTBGMOT-UHFFFAOYSA-N 1 1 481.935 2.519 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999823 722247358 /nfs/dbraw/zinc/24/73/58/722247358.db2.gz CTFVDGXDQHIFEA-DHLKQENFSA-N 1 1 452.603 2.921 20 0 JFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297583 1059475960 /nfs/dbraw/zinc/47/59/60/1059475960.db2.gz UJJAMBWDNTZHNN-PKOBYXMFSA-N 1 1 489.432 2.502 20 0 JFADMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017526 1059505843 /nfs/dbraw/zinc/50/58/43/1059505843.db2.gz NFSXHTBUQLAYTR-JOCHJYFZSA-N 1 1 453.562 2.568 20 0 JFADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109361 1059520270 /nfs/dbraw/zinc/52/02/70/1059520270.db2.gz OPSPPYTWCWSNGR-FGZHOGPDSA-N 1 1 459.616 2.515 20 0 JFADMO CC(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1Cl ZINC001264707728 1059653222 /nfs/dbraw/zinc/65/32/22/1059653222.db2.gz CHOMNWRBJSZWMN-UHFFFAOYSA-N 1 1 458.946 2.889 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cc2)C1 ZINC001264894777 1059720546 /nfs/dbraw/zinc/72/05/46/1059720546.db2.gz XIXKSMDYXRYROH-FQEVSTJZSA-N 1 1 455.580 2.820 20 0 JFADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001265034695 1059756367 /nfs/dbraw/zinc/75/63/67/1059756367.db2.gz FLWIQWLXQJIIDJ-GOSISDBHSA-N 1 1 454.571 2.635 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265248219 1059806887 /nfs/dbraw/zinc/80/68/87/1059806887.db2.gz VZENJNBIXVXUME-NRFANRHFSA-N 1 1 450.518 2.884 20 0 JFADMO CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001265393724 1059841337 /nfs/dbraw/zinc/84/13/37/1059841337.db2.gz GRMUJHSJQJDXHG-SFTDATJTSA-N 1 1 450.583 2.765 20 0 JFADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400704 1059845177 /nfs/dbraw/zinc/84/51/77/1059845177.db2.gz VGBPVAMDGGOMKU-UZLBHIALSA-N 1 1 454.552 2.937 20 0 JFADMO C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400704 1059845204 /nfs/dbraw/zinc/84/52/04/1059845204.db2.gz VGBPVAMDGGOMKU-UZLBHIALSA-N 1 1 454.552 2.937 20 0 JFADMO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412351 1059849786 /nfs/dbraw/zinc/84/97/86/1059849786.db2.gz DMMKRFYTDYLTFA-OXQOHEQNSA-N 1 1 451.614 2.820 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(OC)cc3OCCOC)cc2)CC1 ZINC001265681250 1059910095 /nfs/dbraw/zinc/91/00/95/1059910095.db2.gz LRDZJWWYHYLHEB-UHFFFAOYSA-N 1 1 455.555 2.679 20 0 JFADMO CC[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265837233 1059934101 /nfs/dbraw/zinc/93/41/01/1059934101.db2.gz VLVDIOUCCYQZNP-WIYYLYMNSA-N 1 1 459.493 2.801 20 0 JFADMO CC[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265837233 1059934125 /nfs/dbraw/zinc/93/41/25/1059934125.db2.gz VLVDIOUCCYQZNP-WIYYLYMNSA-N 1 1 459.493 2.801 20 0 JFADMO C[C@H]1Oc2ccccc2N(CCC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC001265876511 1059938151 /nfs/dbraw/zinc/93/81/51/1059938151.db2.gz HKTIBIOJBFYTAZ-GOSISDBHSA-N 1 1 456.974 2.782 20 0 JFADMO C[C@H]1CN(c2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2)C[C@H](C)O1 ZINC001265876588 1059938645 /nfs/dbraw/zinc/93/86/45/1059938645.db2.gz IVWRHIKMNBKCTO-OALUTQOASA-N 1 1 458.006 2.901 20 0 JFADMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192487 1060001232 /nfs/dbraw/zinc/00/12/32/1060001232.db2.gz BABVGJBPKDDZFA-IRXDYDNUSA-N 1 1 454.017 2.945 20 0 JFADMO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC001286835980 1061088795 /nfs/dbraw/zinc/08/87/95/1061088795.db2.gz CBGQSDWUMXPMKP-UHFFFAOYSA-N 1 1 472.609 2.966 20 0 JFADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001286839669 1061097867 /nfs/dbraw/zinc/09/78/67/1061097867.db2.gz VKOULBMXMIKSDB-MCXUZDIPSA-N 1 1 460.648 2.912 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286842887 1061119291 /nfs/dbraw/zinc/11/92/91/1061119291.db2.gz ZLJILYJCWMRHAU-FQEVSTJZSA-N 1 1 486.636 2.956 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286844175 1061129645 /nfs/dbraw/zinc/12/96/45/1061129645.db2.gz MEULKPALWLPDFB-KRWDZBQOSA-N 1 1 458.582 2.926 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286846359 1061149721 /nfs/dbraw/zinc/14/97/21/1061149721.db2.gz ZCNAQSNQDPYLQY-WHSBFGAESA-N 1 1 490.693 2.888 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286846355 1061149742 /nfs/dbraw/zinc/14/97/42/1061149742.db2.gz ZCNAQSNQDPYLQY-POGFHVCPSA-N 1 1 490.693 2.888 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286852416 1061190225 /nfs/dbraw/zinc/19/02/25/1061190225.db2.gz WPANBCUVNOQJJJ-HUVFLSCGSA-N 1 1 468.646 2.997 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCOCC2)C1 ZINC001286853834 1061200748 /nfs/dbraw/zinc/20/07/48/1061200748.db2.gz FEDISHGSDGYNON-QHCPKHFHSA-N 1 1 484.645 2.501 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001286854326 1061202895 /nfs/dbraw/zinc/20/28/95/1061202895.db2.gz JARODZJOJXFPPT-PCCBWWKXSA-N 1 1 491.681 2.694 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001286854631 1061204593 /nfs/dbraw/zinc/20/45/93/1061204593.db2.gz OILMENPNWVXTSX-IFMALSPDSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC001289582908 1061227569 /nfs/dbraw/zinc/22/75/69/1061227569.db2.gz DMLOTHGSZNCWIP-NRFANRHFSA-N 1 1 485.677 2.861 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289582908 1061227591 /nfs/dbraw/zinc/22/75/91/1061227591.db2.gz DMLOTHGSZNCWIP-NRFANRHFSA-N 1 1 485.677 2.861 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)o1 ZINC001289582908 1061227613 /nfs/dbraw/zinc/22/76/13/1061227613.db2.gz DMLOTHGSZNCWIP-NRFANRHFSA-N 1 1 485.677 2.861 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286861222 1061231102 /nfs/dbraw/zinc/23/11/02/1061231102.db2.gz PMFNOMOTXZZCBX-HSZRJFAPSA-N 1 1 498.672 2.971 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286861222 1061231124 /nfs/dbraw/zinc/23/11/24/1061231124.db2.gz PMFNOMOTXZZCBX-HSZRJFAPSA-N 1 1 498.672 2.971 20 0 JFADMO Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)o1 ZINC001289592782 1061234417 /nfs/dbraw/zinc/23/44/17/1061234417.db2.gz QQMZILGWAMXNHS-OAQYLSRUSA-N 1 1 488.633 2.998 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNS(=O)(=O)c2ccccc2)o1 ZINC001289592571 1061234482 /nfs/dbraw/zinc/23/44/82/1061234482.db2.gz OTWSWUPKYDKFMK-UHFFFAOYSA-N 1 1 472.615 2.746 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001286864493 1061243317 /nfs/dbraw/zinc/24/33/17/1061243317.db2.gz GCGUAVCGZPLNBR-UHFFFAOYSA-N 1 1 474.053 2.683 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286864493 1061243338 /nfs/dbraw/zinc/24/33/38/1061243338.db2.gz GCGUAVCGZPLNBR-UHFFFAOYSA-N 1 1 474.053 2.683 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286864493 1061243356 /nfs/dbraw/zinc/24/33/56/1061243356.db2.gz GCGUAVCGZPLNBR-UHFFFAOYSA-N 1 1 474.053 2.683 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001286865075 1061245485 /nfs/dbraw/zinc/24/54/85/1061245485.db2.gz SEFGBENVPAVEQK-HXUWFJFHSA-N 1 1 475.037 2.894 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001289601097 1061246056 /nfs/dbraw/zinc/24/60/56/1061246056.db2.gz SYRDCDKMTLSFHB-FQEVSTJZSA-N 1 1 471.650 2.758 20 0 JFADMO Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@@H+]2CC=CCC2)cc1Br ZINC001289605471 1061251315 /nfs/dbraw/zinc/25/13/15/1061251315.db2.gz PBVXYZIYUWCHDB-UHFFFAOYSA-N 1 1 459.392 2.604 20 0 JFADMO Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001289606146 1061251373 /nfs/dbraw/zinc/25/13/73/1061251373.db2.gz WITOJUUHUILMEP-IBGZPJMESA-N 1 1 470.540 2.888 20 0 JFADMO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)o1 ZINC001289616360 1061256273 /nfs/dbraw/zinc/25/62/73/1061256273.db2.gz ZJZDAXMMJMEHBV-KYJSFNMBSA-N 1 1 450.609 2.614 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870284 1061264698 /nfs/dbraw/zinc/26/46/98/1061264698.db2.gz INKOBRQZTYOKER-XUZZJYLKSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001286870483 1061265576 /nfs/dbraw/zinc/26/55/76/1061265576.db2.gz IPPCZPOCXWOCPS-URXFXBBRSA-N 1 1 495.672 2.547 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)s1 ZINC001289634323 1061267232 /nfs/dbraw/zinc/26/72/32/1061267232.db2.gz CWPSQBFHKQICQK-WBVHZDCISA-N 1 1 454.666 2.627 20 0 JFADMO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)s1 ZINC001289634554 1061268158 /nfs/dbraw/zinc/26/81/58/1061268158.db2.gz HKJXURBZIDWUNG-UHFFFAOYSA-N 1 1 457.629 2.981 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870895 1061268673 /nfs/dbraw/zinc/26/86/73/1061268673.db2.gz LMQYRHWLEZJRGA-YMPZKCBVSA-N 1 1 476.666 2.571 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870894 1061268756 /nfs/dbraw/zinc/26/87/56/1061268756.db2.gz LMQYRHWLEZJRGA-MDNUFGMLSA-N 1 1 476.666 2.571 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3OCCC3(C)C)C[C@@H]2C)CC1 ZINC001286870837 1061268906 /nfs/dbraw/zinc/26/89/06/1061268906.db2.gz KUISYPHOQBLCNF-KSEOMHKRSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@H]2C)CC1 ZINC001286871723 1061274595 /nfs/dbraw/zinc/27/45/95/1061274595.db2.gz PHVKVIHIPRBNJP-OFNKIYASSA-N 1 1 487.693 2.766 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286871758 1061274651 /nfs/dbraw/zinc/27/46/51/1061274651.db2.gz PSZVLBKBSXQQKY-AUSIDOKSSA-N 1 1 470.666 2.684 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC001286872592 1061279646 /nfs/dbraw/zinc/27/96/46/1061279646.db2.gz WTFSDIGSZUMUGO-RBBKRZOGSA-N 1 1 460.667 2.551 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872724 1061279988 /nfs/dbraw/zinc/27/99/88/1061279988.db2.gz XFYUPFWGTLESQA-UTKZUKDTSA-N 1 1 459.664 2.753 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872736 1061280341 /nfs/dbraw/zinc/28/03/41/1061280341.db2.gz XGNWZGQTNOORQU-NZQKXSOJSA-N 1 1 460.667 2.987 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872766 1061281416 /nfs/dbraw/zinc/28/14/16/1061281416.db2.gz XQVYOALHGMXOHD-QNIAMRLHSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286873019 1061284468 /nfs/dbraw/zinc/28/44/68/1061284468.db2.gz WAWCRDDMUNKJIM-ZCNNSNEGSA-N 1 1 488.608 2.725 20 0 JFADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC001289663619 1061286136 /nfs/dbraw/zinc/28/61/36/1061286136.db2.gz WVMKEWFBPZQDDD-SFHVURJKSA-N 1 1 474.656 2.629 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H]2CCCn3cc[nH+]c32)cc1C ZINC001289721606 1061328168 /nfs/dbraw/zinc/32/81/68/1061328168.db2.gz MPVOHTNNOJEGPK-QZTJIDSGSA-N 1 1 464.574 2.621 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001286886640 1061330545 /nfs/dbraw/zinc/33/05/45/1061330545.db2.gz GQNNPZJZZQAGMD-QPPBQGQZSA-N 1 1 498.672 2.624 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886703 1061331158 /nfs/dbraw/zinc/33/11/58/1061331158.db2.gz HRVPQSJDUDYGBO-JCYRPKCISA-N 1 1 495.716 2.986 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3cnn(CC(C)C)c3C)C[C@@H]2C)CC1 ZINC001286886970 1061331961 /nfs/dbraw/zinc/33/19/61/1061331961.db2.gz LGHSECPKHWLRKZ-GBXCKJPGSA-N 1 1 484.693 2.675 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001289726393 1061334482 /nfs/dbraw/zinc/33/44/82/1061334482.db2.gz RBDCLDCYXBCYHZ-QHCPKHFHSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C[C@@H]2C)CC1 ZINC001286887191 1061334551 /nfs/dbraw/zinc/33/45/51/1061334551.db2.gz OOXFCRQQHXSTQJ-HNAYVOBHSA-N 1 1 478.439 2.681 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289726486 1061334730 /nfs/dbraw/zinc/33/47/30/1061334730.db2.gz IZULSPXJUIMULG-LJQANCHMSA-N 1 1 455.607 2.544 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)Nc4ccccn4)n3CC(C)(C)C(C)C)C[C@H]2C)CC1 ZINC001286887242 1061335413 /nfs/dbraw/zinc/33/54/13/1061335413.db2.gz PRBMAWUXIVALHR-TZIWHRDSSA-N 1 1 496.660 2.596 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC3CCC(C(F)(F)F)CC3)C[C@@H]2C)CC1 ZINC001286887460 1061336707 /nfs/dbraw/zinc/33/67/07/1061336707.db2.gz RLLIAJZDFSGIIO-GRCLEANCSA-N 1 1 456.557 2.944 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC3CCC(C(F)(F)F)CC3)C[C@@H]2C)CC1 ZINC001286887461 1061336743 /nfs/dbraw/zinc/33/67/43/1061336743.db2.gz RLLIAJZDFSGIIO-VUVIGMMVSA-N 1 1 456.557 2.944 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCO[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286887779 1061338399 /nfs/dbraw/zinc/33/83/99/1061338399.db2.gz USXSMZLGUXAFOL-NPDDRXJXSA-N 1 1 460.667 2.671 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887831 1061338966 /nfs/dbraw/zinc/33/89/66/1061338966.db2.gz UVUNBHZZSDIDCI-KXBFYZLASA-N 1 1 497.591 2.890 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCOC(F)F)cc1C ZINC001289729447 1061339825 /nfs/dbraw/zinc/33/98/25/1061339825.db2.gz OHYGQBPEPKXNPK-QUCCMNQESA-N 1 1 492.571 2.933 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccccc3Cl)C[C@H]2C)CC1 ZINC001286888438 1061341178 /nfs/dbraw/zinc/34/11/78/1061341178.db2.gz YULWAUFLLLYJBH-KPCPBYSCSA-N 1 1 489.064 2.951 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735816 1061348226 /nfs/dbraw/zinc/34/82/26/1061348226.db2.gz UBKAAHOZQOQVSW-HTAPYJJXSA-N 1 1 480.535 2.993 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735784 1061348253 /nfs/dbraw/zinc/34/82/53/1061348253.db2.gz SSOPUBDXFMVDPQ-GAJHUEQPSA-N 1 1 462.545 2.695 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289740130 1061353781 /nfs/dbraw/zinc/35/37/81/1061353781.db2.gz LGJLFKUTYGRPSO-GOSISDBHSA-N 1 1 481.645 2.936 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289740242 1061354172 /nfs/dbraw/zinc/35/41/72/1061354172.db2.gz MFLSHJITXYOZGK-NRFANRHFSA-N 1 1 481.645 2.936 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001286890583 1061356032 /nfs/dbraw/zinc/35/60/32/1061356032.db2.gz AUDQWXMNDMCIOG-HXUWFJFHSA-N 1 1 477.613 2.667 20 0 JFADMO CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC001286891425 1061359953 /nfs/dbraw/zinc/35/99/53/1061359953.db2.gz XFGABRYYHSTOOM-LJQANCHMSA-N 1 1 459.664 2.510 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CC=CCC2)CC1 ZINC001286891646 1061361709 /nfs/dbraw/zinc/36/17/09/1061361709.db2.gz MCIYHXVVNARJLW-UHFFFAOYSA-N 1 1 477.382 2.777 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+]3CCCO)C2)nc1 ZINC001289746532 1061364128 /nfs/dbraw/zinc/36/41/28/1061364128.db2.gz ABALBPLPNOSXMT-NHCUHLMSSA-N 1 1 469.634 2.807 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895680 1061375940 /nfs/dbraw/zinc/37/59/40/1061375940.db2.gz YOGBNEQFVULYNB-NBGIEHNGSA-N 1 1 495.672 2.862 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@H+](C)C(C)C)n1 ZINC001289758081 1061379904 /nfs/dbraw/zinc/37/99/04/1061379904.db2.gz XYZGQXCNBZQQFE-UHFFFAOYSA-N 1 1 452.607 2.863 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766441 1061387369 /nfs/dbraw/zinc/38/73/69/1061387369.db2.gz IXJSLMOCRVDUQK-OAQYLSRUSA-N 1 1 478.588 2.776 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286900443 1061391914 /nfs/dbraw/zinc/39/19/14/1061391914.db2.gz GMPMMMAMTOGXER-XTWGIRIWSA-N 1 1 456.639 2.827 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001289772162 1061393123 /nfs/dbraw/zinc/39/31/23/1061393123.db2.gz FNKVRJZBRZWBBF-RTBURBONSA-N 1 1 461.632 2.519 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286904559 1061410204 /nfs/dbraw/zinc/41/02/04/1061410204.db2.gz RNOWDXRVBITFAL-QTVRQTFLSA-N 1 1 476.666 2.553 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001286906843 1061432037 /nfs/dbraw/zinc/43/20/37/1061432037.db2.gz NCEQWOQFDIZAIV-SFHVURJKSA-N 1 1 464.973 2.565 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001289802707 1061438934 /nfs/dbraw/zinc/43/89/34/1061438934.db2.gz NLQABYXXTKWRRZ-LEWJYISDSA-N 1 1 454.619 2.989 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286910523 1061458154 /nfs/dbraw/zinc/45/81/54/1061458154.db2.gz CWAPXNGIVJFBCS-KNQAVFIVSA-N 1 1 456.639 2.509 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001289811463 1061459798 /nfs/dbraw/zinc/45/97/98/1061459798.db2.gz CLSPXGQZGGLWLK-UHFFFAOYSA-N 1 1 465.602 2.552 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911660 1061464064 /nfs/dbraw/zinc/46/40/64/1061464064.db2.gz HWVQQLKJDJHDGE-RPWUZVMVSA-N 1 1 468.646 2.525 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289818156 1061474172 /nfs/dbraw/zinc/47/41/72/1061474172.db2.gz KOYMAAQHROUUKI-UNMCSNQZSA-N 1 1 475.659 2.972 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001286914347 1061482109 /nfs/dbraw/zinc/48/21/09/1061482109.db2.gz XBKVKXRMUDNOAP-NQIIRXRSSA-N 1 1 460.648 2.536 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCS(C)(=O)=O)cc1 ZINC001289824418 1061490613 /nfs/dbraw/zinc/49/06/13/1061490613.db2.gz JWXWRFIBPFNPEU-IBGZPJMESA-N 1 1 461.632 2.521 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001286915032 1061491059 /nfs/dbraw/zinc/49/10/59/1061491059.db2.gz JNBAROUGXVTGRG-UHFFFAOYSA-N 1 1 454.619 2.561 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001289825227 1061495194 /nfs/dbraw/zinc/49/51/94/1061495194.db2.gz XMRBZTBLGYNCCQ-NRFANRHFSA-N 1 1 454.619 2.873 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286919090 1061508313 /nfs/dbraw/zinc/50/83/13/1061508313.db2.gz MDKBSVJOBNUYHX-IBGZPJMESA-N 1 1 459.664 2.859 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001289832446 1061508762 /nfs/dbraw/zinc/50/87/62/1061508762.db2.gz WOVZGSMXLVDPRI-OAQYLSRUSA-N 1 1 456.635 2.725 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289833001 1061509220 /nfs/dbraw/zinc/50/92/20/1061509220.db2.gz CIEPGQUCQDQONJ-WIYYLYMNSA-N 1 1 475.659 2.829 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286919662 1061510651 /nfs/dbraw/zinc/51/06/51/1061510651.db2.gz KDLXOYHBVUAZTA-DEOSSOPVSA-N 1 1 498.672 2.936 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286924474 1061530480 /nfs/dbraw/zinc/53/04/80/1061530480.db2.gz ZYWVSBPVRVVLIX-AZUAARDMSA-N 1 1 456.639 2.542 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924616 1061531038 /nfs/dbraw/zinc/53/10/38/1061531038.db2.gz BODFHBXKSKIZKX-ILBGXUMGSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001286925965 1061536724 /nfs/dbraw/zinc/53/67/24/1061536724.db2.gz GMSYZAITWACDIN-RDGATRHJSA-N 1 1 482.673 2.917 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286926787 1061541516 /nfs/dbraw/zinc/54/15/16/1061541516.db2.gz HACBISVCHSFOIT-ZFGGDYGUSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286926779 1061541732 /nfs/dbraw/zinc/54/17/32/1061541732.db2.gz HACBISVCHSFOIT-IMSXRSKXSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286930469 1061554938 /nfs/dbraw/zinc/55/49/38/1061554938.db2.gz RKHUEAARZGZZIJ-URXFXBBRSA-N 1 1 486.636 2.717 20 0 JFADMO CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286932226 1061560893 /nfs/dbraw/zinc/56/08/93/1061560893.db2.gz PBHFEQYNEUAJQW-ATIYNZHBSA-N 1 1 490.693 2.792 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(COc3ccccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001286934346 1061569333 /nfs/dbraw/zinc/56/93/33/1061569333.db2.gz FMZWYVCZSWISNI-UHFFFAOYSA-N 1 1 455.538 2.554 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286935639 1061574730 /nfs/dbraw/zinc/57/47/30/1061574730.db2.gz QTJZJRIZUFWZEU-UHFFFAOYSA-N 1 1 498.672 2.937 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286935639 1061574746 /nfs/dbraw/zinc/57/47/46/1061574746.db2.gz QTJZJRIZUFWZEU-UHFFFAOYSA-N 1 1 498.672 2.937 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC[N@H+]1CCOC ZINC001294098808 1061579407 /nfs/dbraw/zinc/57/94/07/1061579407.db2.gz KYGFOUVSJDYBCL-RTTLUFELSA-N 1 1 493.693 2.674 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286941109 1061586451 /nfs/dbraw/zinc/58/64/51/1061586451.db2.gz KEQJGBMPFCHGOT-XLIONFOSSA-N 1 1 474.675 2.813 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286941108 1061586500 /nfs/dbraw/zinc/58/65/00/1061586500.db2.gz KEQJGBMPFCHGOT-PXNSSMCTSA-N 1 1 474.675 2.813 20 0 JFADMO Cc1cc(N2CCC(NC(=O)[C@@](C)(O)c3ccc(F)c(Br)c3)CC2)nc(C)[nH+]1 ZINC001294125235 1061607686 /nfs/dbraw/zinc/60/76/86/1061607686.db2.gz BDMHZDPEMKTLBI-FQEVSTJZSA-N 1 1 451.340 2.988 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289917658 1061610451 /nfs/dbraw/zinc/61/04/51/1061610451.db2.gz TUJGFNNSGYXMTD-BGYRXZFFSA-N 1 1 477.613 2.883 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001289923156 1061616280 /nfs/dbraw/zinc/61/62/80/1061616280.db2.gz KHIFCOWBLJMQJU-SFHVURJKSA-N 1 1 473.025 2.909 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001289931312 1061622313 /nfs/dbraw/zinc/62/23/13/1061622313.db2.gz HNEWBRUJGURYAM-SFHVURJKSA-N 1 1 462.645 2.884 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001294139710 1061626118 /nfs/dbraw/zinc/62/61/18/1061626118.db2.gz OPGSWLQZCSXUSK-SZOBAZRNSA-N 1 1 455.599 2.995 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001294141005 1061629347 /nfs/dbraw/zinc/62/93/47/1061629347.db2.gz YXWHPAMEBFJDFL-WZONZLPQSA-N 1 1 457.596 2.584 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCN2CCOC[C@H]2C)n1 ZINC001289950546 1061644954 /nfs/dbraw/zinc/64/49/54/1061644954.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 1 1 455.651 2.926 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294165296 1061658139 /nfs/dbraw/zinc/65/81/39/1061658139.db2.gz IPLYGQSXFLIBSA-UHFFFAOYSA-N 1 1 471.650 2.907 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294165296 1061658149 /nfs/dbraw/zinc/65/81/49/1061658149.db2.gz IPLYGQSXFLIBSA-UHFFFAOYSA-N 1 1 471.650 2.907 20 0 JFADMO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001286950880 1061685128 /nfs/dbraw/zinc/68/51/28/1061685128.db2.gz ATGGSSMXWIKATR-HMXCVIKNSA-N 1 1 489.665 2.592 20 0 JFADMO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286953706 1061701660 /nfs/dbraw/zinc/70/16/60/1061701660.db2.gz UFWDMYPIGWHMHB-IBGZPJMESA-N 1 1 456.639 2.686 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294208262 1061710750 /nfs/dbraw/zinc/71/07/50/1061710750.db2.gz BEHUHBPAOPUTCM-UHFFFAOYSA-N 1 1 468.650 2.942 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294209865 1061714102 /nfs/dbraw/zinc/71/41/02/1061714102.db2.gz CBQWGGOWEFUHJL-NRFANRHFSA-N 1 1 458.582 2.963 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294210591 1061715073 /nfs/dbraw/zinc/71/50/73/1061715073.db2.gz MTAZQJJKBAWPQC-RUZDIDTESA-N 1 1 469.634 2.842 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CC=CCC1 ZINC001286958013 1061723264 /nfs/dbraw/zinc/72/32/64/1061723264.db2.gz VZNHXAAMPGVRSP-OAQYLSRUSA-N 1 1 458.632 2.904 20 0 JFADMO CCCC[N@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294215086 1061723807 /nfs/dbraw/zinc/72/38/07/1061723807.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 1 1 490.722 2.809 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294215086 1061723825 /nfs/dbraw/zinc/72/38/25/1061723825.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 1 1 490.722 2.809 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294214942 1061724155 /nfs/dbraw/zinc/72/41/55/1061724155.db2.gz OIFPWBAUZFDYML-FQEVSTJZSA-N 1 1 480.411 2.799 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294216998 1061726474 /nfs/dbraw/zinc/72/64/74/1061726474.db2.gz NLLGEFAEOWILLB-GOSISDBHSA-N 1 1 489.564 2.848 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001286959009 1061727132 /nfs/dbraw/zinc/72/71/32/1061727132.db2.gz RKSIJFZYOPMIKK-LQWHRVPQSA-N 1 1 487.674 2.554 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001294220746 1061731815 /nfs/dbraw/zinc/73/18/15/1061731815.db2.gz OEXFGVYPTOVUMY-UHFFFAOYSA-N 1 1 485.658 2.824 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001294223519 1061733581 /nfs/dbraw/zinc/73/35/81/1061733581.db2.gz GZCNFVVLRNBREB-UHFFFAOYSA-N 1 1 453.591 2.804 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294224352 1061734835 /nfs/dbraw/zinc/73/48/35/1061734835.db2.gz RIYYXSWZWZNCGD-QFIPXVFZSA-N 1 1 453.635 2.905 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294224785 1061735572 /nfs/dbraw/zinc/73/55/72/1061735572.db2.gz ZNHLPQRCCFDTOP-SFHVURJKSA-N 1 1 462.668 2.992 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001294224682 1061735949 /nfs/dbraw/zinc/73/59/49/1061735949.db2.gz WVCHRLDRPFMVFQ-PMACEKPBSA-N 1 1 462.545 2.817 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294228079 1061742354 /nfs/dbraw/zinc/74/23/54/1061742354.db2.gz ALEQWRPNPOZKFB-MHECFPHRSA-N 1 1 477.654 2.784 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294229250 1061745937 /nfs/dbraw/zinc/74/59/37/1061745937.db2.gz MGVSKJCQVYZSTG-NRFANRHFSA-N 1 1 458.582 2.849 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294230015 1061746488 /nfs/dbraw/zinc/74/64/88/1061746488.db2.gz SSBWHRHTEVYSEA-NHCUHLMSSA-N 1 1 458.582 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C ZINC001294230061 1061747039 /nfs/dbraw/zinc/74/70/39/1061747039.db2.gz UPYIJIBRQKJGIY-UHFFFAOYSA-N 1 1 486.690 2.699 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001294230425 1061748089 /nfs/dbraw/zinc/74/80/89/1061748089.db2.gz WGBKLNBGNIXUOV-NRFANRHFSA-N 1 1 487.693 2.607 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001290041540 1061757247 /nfs/dbraw/zinc/75/72/47/1061757247.db2.gz GLPLLPJORGHAJP-LJQANCHMSA-N 1 1 453.635 2.696 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001290047703 1061767301 /nfs/dbraw/zinc/76/73/01/1061767301.db2.gz SLJZJANXPCYIRP-JOCHJYFZSA-N 1 1 484.645 2.725 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290053096 1061770977 /nfs/dbraw/zinc/77/09/77/1061770977.db2.gz VRAWHPJINPFCRA-JTHBVZDNSA-N 1 1 457.619 2.995 20 0 JFADMO Cc1cccc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054901 1061774780 /nfs/dbraw/zinc/77/47/80/1061774780.db2.gz LZCBYNZQSNVDHN-FPOVZHCZSA-N 1 1 496.578 2.817 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290060457 1061781350 /nfs/dbraw/zinc/78/13/50/1061781350.db2.gz VRKRVFQUORNBML-UXHICEINSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290062673 1061784888 /nfs/dbraw/zinc/78/48/88/1061784888.db2.gz DQFBGYDQWHUIEJ-OYRHEFFESA-N 1 1 484.645 2.757 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001286977297 1061789884 /nfs/dbraw/zinc/78/98/84/1061789884.db2.gz KVBYSTVFJIVTMA-JOCHJYFZSA-N 1 1 486.636 2.550 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001290066646 1061790804 /nfs/dbraw/zinc/79/08/04/1061790804.db2.gz OHRHPXSVJBHDCB-DENIHFKCSA-N 1 1 483.535 2.780 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001286977639 1061791882 /nfs/dbraw/zinc/79/18/82/1061791882.db2.gz IACVDTPIZHSVIX-DBXWQHBBSA-N 1 1 456.616 2.901 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290067343 1061792440 /nfs/dbraw/zinc/79/24/40/1061792440.db2.gz YDKAUVSHUZLSHR-BDTNDASRSA-N 1 1 484.645 2.757 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294306113 1061793637 /nfs/dbraw/zinc/79/36/37/1061793637.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 1 1 489.709 2.716 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294308167 1061795357 /nfs/dbraw/zinc/79/53/57/1061795357.db2.gz HYOIKCNAPGIMFC-LJQANCHMSA-N 1 1 481.692 2.517 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294308300 1061795911 /nfs/dbraw/zinc/79/59/11/1061795911.db2.gz PXSPBNBEJYDXCJ-NRFANRHFSA-N 1 1 498.676 2.508 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001294308935 1061798041 /nfs/dbraw/zinc/79/80/41/1061798041.db2.gz WNQNWAWKOJIECY-NRFANRHFSA-N 1 1 471.654 2.579 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001294309758 1061800244 /nfs/dbraw/zinc/80/02/44/1061800244.db2.gz YUWBCXCUPBZPMG-QFIPXVFZSA-N 1 1 459.683 2.801 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001294310169 1061800869 /nfs/dbraw/zinc/80/08/69/1061800869.db2.gz FJQDPNVXXYXYAT-NJYVYQBISA-N 1 1 462.639 2.514 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001294311699 1061802121 /nfs/dbraw/zinc/80/21/21/1061802121.db2.gz NUGNNXMUMCOTIB-NJYVYQBISA-N 1 1 473.666 2.769 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286978910 1061802454 /nfs/dbraw/zinc/80/24/54/1061802454.db2.gz XCKDBGOYEIGSCB-VIZSFHNOSA-N 1 1 489.686 2.878 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286978910 1061802478 /nfs/dbraw/zinc/80/24/78/1061802478.db2.gz XCKDBGOYEIGSCB-VIZSFHNOSA-N 1 1 489.686 2.878 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001294312038 1061803013 /nfs/dbraw/zinc/80/30/13/1061803013.db2.gz SBSKTEPKLVZLNS-GUDVDZBRSA-N 1 1 485.599 2.957 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312323 1061803949 /nfs/dbraw/zinc/80/39/49/1061803949.db2.gz YMFWYXYJUPLJHS-YADHBBJMSA-N 1 1 487.693 2.967 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294313214 1061805240 /nfs/dbraw/zinc/80/52/40/1061805240.db2.gz BLDXXNKWNFHHET-XZOQPEGZSA-N 1 1 468.646 2.783 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294314515 1061806244 /nfs/dbraw/zinc/80/62/44/1061806244.db2.gz GXWJKAZIOCFKRF-HSZRJFAPSA-N 1 1 453.635 2.977 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294315674 1061808869 /nfs/dbraw/zinc/80/88/69/1061808869.db2.gz COUPAPPLOSJJAL-YPAWHYETSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001290078616 1061809008 /nfs/dbraw/zinc/80/90/08/1061809008.db2.gz WXNFBQOCFYAFEG-QFIPXVFZSA-N 1 1 453.591 2.608 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001294316059 1061809011 /nfs/dbraw/zinc/80/90/11/1061809011.db2.gz NBXSBOSVMHSZDA-HBMCJLEFSA-N 1 1 467.680 2.840 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294316074 1061809509 /nfs/dbraw/zinc/80/95/09/1061809509.db2.gz DIQQVZNGAYEDPY-UYAOXDASSA-N 1 1 458.582 2.962 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317212 1061812995 /nfs/dbraw/zinc/81/29/95/1061812995.db2.gz KDVKXPLLFMJKNP-RBUKOAKNSA-N 1 1 471.654 2.762 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294317818 1061815692 /nfs/dbraw/zinc/81/56/92/1061815692.db2.gz NVPIGEQMBQMIEF-GOSISDBHSA-N 1 1 486.583 2.949 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001294317917 1061816802 /nfs/dbraw/zinc/81/68/02/1061816802.db2.gz YYSHYZZWVAYVIT-HXUWFJFHSA-N 1 1 456.639 2.718 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294318976 1061820360 /nfs/dbraw/zinc/82/03/60/1061820360.db2.gz XPFUMLFORWFWER-PXDATVDWSA-N 1 1 476.666 2.643 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294318977 1061820414 /nfs/dbraw/zinc/82/04/14/1061820414.db2.gz XPFUMLFORWFWER-SQJMNOBHSA-N 1 1 476.666 2.643 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001294322689 1061827335 /nfs/dbraw/zinc/82/73/35/1061827335.db2.gz UEAJOQPTLXMEDW-WIOPSUGQSA-N 1 1 481.689 2.926 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@H+]1CCCO ZINC001286983180 1061833272 /nfs/dbraw/zinc/83/32/72/1061833272.db2.gz RJGQPFGFZSDGJA-GUDVDZBRSA-N 1 1 488.658 2.531 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001294327799 1061843706 /nfs/dbraw/zinc/84/37/06/1061843706.db2.gz XIZFMXGBIBSDNT-HSALFYBXSA-N 1 1 454.623 2.741 20 0 JFADMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OCc3ccccc3)CC2)c1 ZINC001290115024 1061843803 /nfs/dbraw/zinc/84/38/03/1061843803.db2.gz HGHYYSNFHNXSFE-JYFHCDHNSA-N 1 1 451.567 2.801 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294330688 1061850201 /nfs/dbraw/zinc/85/02/01/1061850201.db2.gz PQCUGNKBSGTVOP-WOZUAGRISA-N 1 1 487.693 2.871 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCn2cc[nH+]c2C)C1 ZINC001294331155 1061852504 /nfs/dbraw/zinc/85/25/04/1061852504.db2.gz SBJHOCBZGWFNET-CEWLAPEOSA-N 1 1 457.623 2.898 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001290125111 1061855703 /nfs/dbraw/zinc/85/57/03/1061855703.db2.gz XXJYEMZFKVPWKJ-OAQYLSRUSA-N 1 1 474.675 2.846 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294332636 1061858880 /nfs/dbraw/zinc/85/88/80/1061858880.db2.gz JHRTYRGYGVUWEZ-JTHBVZDNSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294332636 1061858896 /nfs/dbraw/zinc/85/88/96/1061858896.db2.gz JHRTYRGYGVUWEZ-JTHBVZDNSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294332909 1061862521 /nfs/dbraw/zinc/86/25/21/1061862521.db2.gz LGRZWQSSJMFMEG-LOYIFYEOSA-N 1 1 498.672 2.753 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3coc(Sc4ncccn4)n3)cc2)CC1 ZINC001294333118 1061863081 /nfs/dbraw/zinc/86/30/81/1061863081.db2.gz XNWYQCODJMNFTK-UHFFFAOYSA-N 1 1 452.540 2.575 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290129965 1061863325 /nfs/dbraw/zinc/86/33/25/1061863325.db2.gz XYQOHOSUEWWNEV-UHFFFAOYSA-N 1 1 483.661 2.994 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001290129965 1061863340 /nfs/dbraw/zinc/86/33/40/1061863340.db2.gz XYQOHOSUEWWNEV-UHFFFAOYSA-N 1 1 483.661 2.994 20 0 JFADMO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)(F)F ZINC001290130199 1061864338 /nfs/dbraw/zinc/86/43/38/1061864338.db2.gz PERPTFRIUVBDQK-KRWDZBQOSA-N 1 1 480.535 2.622 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131205 1061865273 /nfs/dbraw/zinc/86/52/73/1061865273.db2.gz DSLHHZMFISWQFC-HOCLYGCPSA-N 1 1 455.386 2.723 20 0 JFADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286987566 1061871414 /nfs/dbraw/zinc/87/14/14/1061871414.db2.gz WZFVBQAFUQLUFN-CTNGQTDRSA-N 1 1 460.667 2.771 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001294335840 1061872850 /nfs/dbraw/zinc/87/28/50/1061872850.db2.gz RODVWAJABGLGMV-FGZHOGPDSA-N 1 1 487.693 2.911 20 0 JFADMO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001286988677 1061877996 /nfs/dbraw/zinc/87/79/96/1061877996.db2.gz CNVXSXWGVXRIPI-OFVILXPXSA-N 1 1 456.635 2.752 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294339173 1061882567 /nfs/dbraw/zinc/88/25/67/1061882567.db2.gz ZBHBCRIYSDSJEI-FPOVZHCZSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294339173 1061882588 /nfs/dbraw/zinc/88/25/88/1061882588.db2.gz ZBHBCRIYSDSJEI-FPOVZHCZSA-N 1 1 460.667 2.863 20 0 JFADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001290145532 1061884327 /nfs/dbraw/zinc/88/43/27/1061884327.db2.gz LQYNKUPCCQVVFT-QHCPKHFHSA-N 1 1 482.673 2.622 20 0 JFADMO Cc1ccccc1[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CCO1 ZINC001290146705 1061889396 /nfs/dbraw/zinc/88/93/96/1061889396.db2.gz YHEHWBHMMQPNEW-RBBKRZOGSA-N 1 1 475.659 2.797 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294346809 1061902691 /nfs/dbraw/zinc/90/26/91/1061902691.db2.gz ANJZLAMHCPWENI-JOCHJYFZSA-N 1 1 483.661 2.507 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294346809 1061902711 /nfs/dbraw/zinc/90/27/11/1061902711.db2.gz ANJZLAMHCPWENI-JOCHJYFZSA-N 1 1 483.661 2.507 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287001317 1061916985 /nfs/dbraw/zinc/91/69/85/1061916985.db2.gz YDBZXRNNTNLAMZ-KRWDZBQOSA-N 1 1 478.041 2.914 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290174727 1061920736 /nfs/dbraw/zinc/92/07/36/1061920736.db2.gz RAFCSPODNULKDG-UHFFFAOYSA-N 1 1 495.716 2.946 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294358284 1061928658 /nfs/dbraw/zinc/92/86/58/1061928658.db2.gz OZLNQVINRQICAK-LJQANCHMSA-N 1 1 472.609 2.938 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294358284 1061928679 /nfs/dbraw/zinc/92/86/79/1061928679.db2.gz OZLNQVINRQICAK-LJQANCHMSA-N 1 1 472.609 2.938 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287007699 1061931632 /nfs/dbraw/zinc/93/16/32/1061931632.db2.gz PHHNQUXACAZOSQ-OAQYLSRUSA-N 1 1 472.609 2.524 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CCC[NH+]1CCOCC1 ZINC001287009063 1061936232 /nfs/dbraw/zinc/93/62/32/1061936232.db2.gz KZKIYSQSLRBCPU-UHFFFAOYSA-N 1 1 475.037 2.800 20 0 JFADMO Cc1ccccc1N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001290195952 1061937035 /nfs/dbraw/zinc/93/70/35/1061937035.db2.gz FURBVMBSADMWAZ-NRFANRHFSA-N 1 1 465.602 2.947 20 0 JFADMO C[NH+](C)[C@H](CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)c1ccccc1 ZINC001290199110 1061940664 /nfs/dbraw/zinc/94/06/64/1061940664.db2.gz MUBFFVRBHMCFCF-JOCHJYFZSA-N 1 1 453.564 2.903 20 0 JFADMO CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001294380777 1061953852 /nfs/dbraw/zinc/95/38/52/1061953852.db2.gz NQQOHLGGWWEZLN-NRFANRHFSA-N 1 1 483.661 2.941 20 0 JFADMO CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294381949 1061955089 /nfs/dbraw/zinc/95/50/89/1061955089.db2.gz XZRPTVKBFQCJRH-UHFFFAOYSA-N 1 1 469.634 2.943 20 0 JFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)C1 ZINC001294385810 1061957379 /nfs/dbraw/zinc/95/73/79/1061957379.db2.gz OGWRNDGTBNMXHJ-IBGZPJMESA-N 1 1 451.608 2.997 20 0 JFADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 ZINC001294386159 1061957970 /nfs/dbraw/zinc/95/79/70/1061957970.db2.gz UTWXUYYDVBPWJA-QGZVFWFLSA-N 1 1 455.571 2.556 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(=O)(=O)c1ccccc1 ZINC001287023812 1061965378 /nfs/dbraw/zinc/96/53/78/1061965378.db2.gz HQWQWZAUNOJBQK-OAQYLSRUSA-N 1 1 489.686 2.889 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287025033 1061967989 /nfs/dbraw/zinc/96/79/89/1061967989.db2.gz ZLWBLPIBEWOKNW-OAQYLSRUSA-N 1 1 486.636 2.523 20 0 JFADMO C[N@@H+](CCNC(=O)c1cccn2c(I)cnc12)Cc1ccc(F)cc1 ZINC001294407908 1061974736 /nfs/dbraw/zinc/97/47/36/1061974736.db2.gz VILGDXKMOYQDBQ-UHFFFAOYSA-N 1 1 452.271 2.940 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287032037 1061985953 /nfs/dbraw/zinc/98/59/53/1061985953.db2.gz XUJHBJDFYPAEMW-VXKWHMMOSA-N 1 1 468.646 2.573 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC001290248845 1061987510 /nfs/dbraw/zinc/98/75/10/1061987510.db2.gz OVXYDNJTLCYDFD-HSZRJFAPSA-N 1 1 459.612 2.531 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001287032601 1061988105 /nfs/dbraw/zinc/98/81/05/1061988105.db2.gz SMYYVEACNMWKFQ-UHFFFAOYSA-N 1 1 499.635 2.779 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001287032601 1061988124 /nfs/dbraw/zinc/98/81/24/1061988124.db2.gz SMYYVEACNMWKFQ-UHFFFAOYSA-N 1 1 499.635 2.779 20 0 JFADMO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001294441609 1061992304 /nfs/dbraw/zinc/99/23/04/1061992304.db2.gz LUJALJBOVDAXSW-SFHVURJKSA-N 1 1 466.627 2.544 20 0 JFADMO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001294441609 1061992318 /nfs/dbraw/zinc/99/23/18/1061992318.db2.gz LUJALJBOVDAXSW-SFHVURJKSA-N 1 1 466.627 2.544 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCO1 ZINC001287034563 1061997541 /nfs/dbraw/zinc/99/75/41/1061997541.db2.gz PLGYNBBLPQEDQC-GMAHTHKFSA-N 1 1 471.646 2.998 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294453777 1061998505 /nfs/dbraw/zinc/99/85/05/1061998505.db2.gz GKUMLGOLCQFRKB-QZTJIDSGSA-N 1 1 475.663 2.894 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270841 1062000268 /nfs/dbraw/zinc/00/02/68/1062000268.db2.gz DVSAMBFPOMPLBI-PCCBWWKXSA-N 1 1 486.665 2.651 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270843 1062000423 /nfs/dbraw/zinc/00/04/23/1062000423.db2.gz DVSAMBFPOMPLBI-QHAWAJNXSA-N 1 1 486.665 2.651 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001290270843 1062000447 /nfs/dbraw/zinc/00/04/47/1062000447.db2.gz DVSAMBFPOMPLBI-QHAWAJNXSA-N 1 1 486.665 2.651 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)C1 ZINC001294455534 1062002444 /nfs/dbraw/zinc/00/24/44/1062002444.db2.gz FPHYGFHTKRSSPU-SFHVURJKSA-N 1 1 494.731 2.993 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 ZINC001294455721 1062003172 /nfs/dbraw/zinc/00/31/72/1062003172.db2.gz ZLSIBYAMBMWCGO-IBGZPJMESA-N 1 1 457.648 2.847 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294456766 1062004109 /nfs/dbraw/zinc/00/41/09/1062004109.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 1 1 494.482 2.925 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294460722 1062009114 /nfs/dbraw/zinc/00/91/14/1062009114.db2.gz JHMQOULQFRBVKO-PZJWPPBQSA-N 1 1 490.674 2.546 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294461785 1062011525 /nfs/dbraw/zinc/01/15/25/1062011525.db2.gz DQSZURHGLJMHAO-HXUWFJFHSA-N 1 1 483.642 2.549 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001287042488 1062012442 /nfs/dbraw/zinc/01/24/42/1062012442.db2.gz PBUWUFPHJAIPES-UHFFFAOYSA-N 1 1 491.600 2.775 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 ZINC001294462875 1062012923 /nfs/dbraw/zinc/01/29/23/1062012923.db2.gz MUNZFRCJGNFKID-MRXNPFEDSA-N 1 1 468.524 2.800 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287042899 1062014017 /nfs/dbraw/zinc/01/40/17/1062014017.db2.gz YVHOBDJWYFUJNP-UHFFFAOYSA-N 1 1 481.066 2.945 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001294464895 1062014981 /nfs/dbraw/zinc/01/49/81/1062014981.db2.gz ZCSAHUHFVFAUPI-SFHVURJKSA-N 1 1 460.627 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467784 1062017211 /nfs/dbraw/zinc/01/72/11/1062017211.db2.gz JDHBLIBIQKTRAR-PMACEKPBSA-N 1 1 455.607 2.879 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 ZINC001287043922 1062017485 /nfs/dbraw/zinc/01/74/85/1062017485.db2.gz BGZOZHUPHNRRJG-IBGZPJMESA-N 1 1 467.680 2.840 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 ZINC001294467847 1062017838 /nfs/dbraw/zinc/01/78/38/1062017838.db2.gz JYROISXTIKJCDN-BBTUJRGHSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001294469601 1062022551 /nfs/dbraw/zinc/02/25/51/1062022551.db2.gz CCISUUPYRYGMSW-CPJSRVTESA-N 1 1 454.619 2.812 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2nncn2C)C1 ZINC001294469515 1062022646 /nfs/dbraw/zinc/02/26/46/1062022646.db2.gz AIBAKDARDWLRQT-KRWDZBQOSA-N 1 1 458.998 2.855 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 ZINC001294470438 1062024087 /nfs/dbraw/zinc/02/40/87/1062024087.db2.gz LSSVHSNZDBSMFT-UWHLTILDSA-N 1 1 492.665 2.632 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)C1 ZINC001294470873 1062024791 /nfs/dbraw/zinc/02/47/91/1062024791.db2.gz OHLJEEBXIOVSDY-GOSISDBHSA-N 1 1 457.652 2.770 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)C1 ZINC001294470643 1062024900 /nfs/dbraw/zinc/02/49/00/1062024900.db2.gz DGLPQXIMHOQMKE-IBGZPJMESA-N 1 1 462.664 2.734 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001294473751 1062026039 /nfs/dbraw/zinc/02/60/39/1062026039.db2.gz YTMYYQHZWJUCKX-JOCHJYFZSA-N 1 1 484.693 2.956 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287046126 1062026916 /nfs/dbraw/zinc/02/69/16/1062026916.db2.gz OSHMKKTZKQEZCP-LJQANCHMSA-N 1 1 461.632 2.567 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294475585 1062028040 /nfs/dbraw/zinc/02/80/40/1062028040.db2.gz WTNYIXUFAHCYEL-KRWDZBQOSA-N 1 1 481.613 2.892 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)CC1 ZINC001287046598 1062029629 /nfs/dbraw/zinc/02/96/29/1062029629.db2.gz VJCJVQVBUREQSG-QGZVFWFLSA-N 1 1 452.694 2.560 20 0 JFADMO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001294480393 1062030146 /nfs/dbraw/zinc/03/01/46/1062030146.db2.gz SLMFPOAQVDTVKM-GOSISDBHSA-N 1 1 471.631 2.891 20 0 JFADMO COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O ZINC001294480487 1062030703 /nfs/dbraw/zinc/03/07/03/1062030703.db2.gz FXWTVGSSCOMSNL-APWZRJJASA-N 1 1 459.543 2.808 20 0 JFADMO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001294481451 1062031221 /nfs/dbraw/zinc/03/12/21/1062031221.db2.gz GBSRQSZKUIFQFF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001294481451 1062031247 /nfs/dbraw/zinc/03/12/47/1062031247.db2.gz GBSRQSZKUIFQFF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO CCCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001294481451 1062031263 /nfs/dbraw/zinc/03/12/63/1062031263.db2.gz GBSRQSZKUIFQFF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001290306952 1062034025 /nfs/dbraw/zinc/03/40/25/1062034025.db2.gz IACKUSVDNJMBPU-FQEVSTJZSA-N 1 1 463.648 2.995 20 0 JFADMO Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001290307633 1062035105 /nfs/dbraw/zinc/03/51/05/1062035105.db2.gz QVDXXPLYJDVDAV-QFIPXVFZSA-N 1 1 458.651 2.966 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287048294 1062036959 /nfs/dbraw/zinc/03/69/59/1062036959.db2.gz SZPRIBGTMJRYSL-RUZDIDTESA-N 1 1 488.608 2.602 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001287048295 1062037102 /nfs/dbraw/zinc/03/71/02/1062037102.db2.gz SZPRIBGTMJRYSL-VWLOTQADSA-N 1 1 488.608 2.602 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC001294502049 1062037413 /nfs/dbraw/zinc/03/74/13/1062037413.db2.gz GNBYGKUQHWQVCR-LLVKDONJSA-N 1 1 450.704 2.654 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1 ZINC001294502050 1062038251 /nfs/dbraw/zinc/03/82/51/1062038251.db2.gz GNBYGKUQHWQVCR-NSHDSACASA-N 1 1 450.704 2.654 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294504870 1062039749 /nfs/dbraw/zinc/03/97/49/1062039749.db2.gz DVIALNKVHOVUHY-UHFFFAOYSA-N 1 1 492.672 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(C1)CCCCCC2 ZINC001294505482 1062041620 /nfs/dbraw/zinc/04/16/20/1062041620.db2.gz KDBKMMNPZWLBLW-LJQANCHMSA-N 1 1 470.684 2.550 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001294505998 1062042154 /nfs/dbraw/zinc/04/21/54/1062042154.db2.gz DQOBNQPTVXWREF-UHFFFAOYSA-N 1 1 456.595 2.982 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001294506157 1062043324 /nfs/dbraw/zinc/04/33/24/1062043324.db2.gz QZAIEPWWETZBSV-FQEVSTJZSA-N 1 1 477.451 2.960 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294507818 1062045205 /nfs/dbraw/zinc/04/52/05/1062045205.db2.gz UTKITVJJPWVZIG-HNNXBMFYSA-N 1 1 466.428 2.825 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 ZINC001294513407 1062047913 /nfs/dbraw/zinc/04/79/13/1062047913.db2.gz FFERZHXLRXTTBJ-UHFFFAOYSA-N 1 1 452.607 2.630 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnccn2)CC1 ZINC001294514125 1062049133 /nfs/dbraw/zinc/04/91/33/1062049133.db2.gz NNBRVZSPPAOFKX-UHFFFAOYSA-N 1 1 450.591 2.802 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001294514121 1062049196 /nfs/dbraw/zinc/04/91/96/1062049196.db2.gz NGUXCYVIQHEAHQ-HXUWFJFHSA-N 1 1 471.581 2.583 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294514709 1062049737 /nfs/dbraw/zinc/04/97/37/1062049737.db2.gz BJMRQLGZHBAHGN-UHFFFAOYSA-N 1 1 480.617 2.773 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001294514712 1062049812 /nfs/dbraw/zinc/04/98/12/1062049812.db2.gz BKCXSRZXQAWMAC-SJORKVTESA-N 1 1 451.616 2.764 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001294514896 1062050620 /nfs/dbraw/zinc/05/06/20/1062050620.db2.gz XQZMNWKIUCGAJU-UHFFFAOYSA-N 1 1 451.575 2.673 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294519362 1062055408 /nfs/dbraw/zinc/05/54/08/1062055408.db2.gz DCWMLUZJRRIMEP-PMACEKPBSA-N 1 1 492.665 2.766 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294523412 1062060015 /nfs/dbraw/zinc/06/00/15/1062060015.db2.gz YZKJLWJKVLCXER-LJQANCHMSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001294526619 1062063432 /nfs/dbraw/zinc/06/34/32/1062063432.db2.gz HOYFELFIPDEKRS-HSZRJFAPSA-N 1 1 461.680 2.667 20 0 JFADMO Cc1csc(N2CCN(c3nnc(Cn4nc(C)cc4C)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001290354142 1062065437 /nfs/dbraw/zinc/06/54/37/1062065437.db2.gz XSVSQQFTWNGZFN-UHFFFAOYSA-N 1 1 471.679 2.962 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001294529509 1062065535 /nfs/dbraw/zinc/06/55/35/1062065535.db2.gz LCRKJIIRRRMBQH-HSALFYBXSA-N 1 1 489.665 2.592 20 0 JFADMO Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001290355234 1062067252 /nfs/dbraw/zinc/06/72/52/1062067252.db2.gz LLPWLZDMIOJUPM-QGZVFWFLSA-N 1 1 492.646 2.768 20 0 JFADMO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001294552318 1062076568 /nfs/dbraw/zinc/07/65/68/1062076568.db2.gz DSMACFMBJGLQIS-BJKOFHAPSA-N 1 1 455.624 2.905 20 0 JFADMO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001294555864 1062077857 /nfs/dbraw/zinc/07/78/57/1062077857.db2.gz YODDJUBSMWKHEO-NJDAHSKKSA-N 1 1 459.587 2.956 20 0 JFADMO CCCN(CCc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001294573106 1062086618 /nfs/dbraw/zinc/08/66/18/1062086618.db2.gz LQMKWXXDGDUYCD-QHCPKHFHSA-N 1 1 469.615 2.513 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001287059187 1062088121 /nfs/dbraw/zinc/08/81/21/1062088121.db2.gz DGEDQVHXQBHHPG-CTNGQTDRSA-N 1 1 492.665 2.512 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC(C)(C)O)cs1 ZINC001290388120 1062091059 /nfs/dbraw/zinc/09/10/59/1062091059.db2.gz BQUUKGLCDRSGMM-UHFFFAOYSA-N 1 1 450.653 2.589 20 0 JFADMO CCCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294583812 1062094375 /nfs/dbraw/zinc/09/43/75/1062094375.db2.gz KHQBBXUBNZWLII-NHCUHLMSSA-N 1 1 494.681 2.976 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290393203 1062096225 /nfs/dbraw/zinc/09/62/25/1062096225.db2.gz XEXOBERIASWJHJ-INIZCTEOSA-N 1 1 453.616 2.853 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287062986 1062110893 /nfs/dbraw/zinc/11/08/93/1062110893.db2.gz GGWFUMWSZBHJGV-RTWAWAEBSA-N 1 1 476.666 2.819 20 0 JFADMO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294603272 1062113188 /nfs/dbraw/zinc/11/31/88/1062113188.db2.gz VYWVIICBUOTKPT-AVRDEDQJSA-N 1 1 470.618 2.751 20 0 JFADMO CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294623784 1062130567 /nfs/dbraw/zinc/13/05/67/1062130567.db2.gz CYBJTCMYZGXWFN-DYESRHJHSA-N 1 1 461.010 2.909 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290413203 1062132059 /nfs/dbraw/zinc/13/20/59/1062132059.db2.gz BVVACHAXLGJLAW-SQGPQFPESA-N 1 1 459.664 2.811 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290413205 1062132111 /nfs/dbraw/zinc/13/21/11/1062132111.db2.gz BVVACHAXLGJLAW-ZWOKBUDYSA-N 1 1 459.664 2.811 20 0 JFADMO Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001290415476 1062135465 /nfs/dbraw/zinc/13/54/65/1062135465.db2.gz GDNOHNCQBNKEIM-UHFFFAOYSA-N 1 1 456.591 2.705 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001294631624 1062138038 /nfs/dbraw/zinc/13/80/38/1062138038.db2.gz CILFYCWYQXXMBQ-INIZCTEOSA-N 1 1 482.555 2.635 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC001294631970 1062138904 /nfs/dbraw/zinc/13/89/04/1062138904.db2.gz CXFWNBXQHUZUNH-OAQYLSRUSA-N 1 1 473.666 2.520 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287065628 1062139367 /nfs/dbraw/zinc/13/93/67/1062139367.db2.gz PHOXFQFHQXSVOE-OAQYLSRUSA-N 1 1 499.660 2.726 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287065628 1062139384 /nfs/dbraw/zinc/13/93/84/1062139384.db2.gz PHOXFQFHQXSVOE-OAQYLSRUSA-N 1 1 499.660 2.726 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cccc(O)c3)CC2)C1 ZINC001294634589 1062145079 /nfs/dbraw/zinc/14/50/79/1062145079.db2.gz UYUBNDHKGGPUJX-FQEVSTJZSA-N 1 1 483.661 2.961 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(CC2CC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287066316 1062147439 /nfs/dbraw/zinc/14/74/39/1062147439.db2.gz DUTLURHUVYYAED-FQEVSTJZSA-N 1 1 462.639 2.694 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637450 1062150434 /nfs/dbraw/zinc/15/04/34/1062150434.db2.gz IEHZWEKCRHIEEI-RBUKOAKNSA-N 1 1 454.685 2.774 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001294637736 1062152034 /nfs/dbraw/zinc/15/20/34/1062152034.db2.gz LPZVNDFPNHWFFG-ROUUACIJSA-N 1 1 452.669 2.803 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@@H](COC)C2)C1 ZINC001294637891 1062152825 /nfs/dbraw/zinc/15/28/25/1062152825.db2.gz NAHXUJREDSTRCP-RBBKRZOGSA-N 1 1 470.618 2.731 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001294639421 1062155438 /nfs/dbraw/zinc/15/54/38/1062155438.db2.gz UWYRURIVLMOQOG-SQNIBIBYSA-N 1 1 464.636 2.523 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccccc2)C1 ZINC001294641011 1062159741 /nfs/dbraw/zinc/15/97/41/1062159741.db2.gz IGASPIJLZFZXOT-DYXWJJEUSA-N 1 1 460.648 2.962 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001290422217 1062160196 /nfs/dbraw/zinc/16/01/96/1062160196.db2.gz WNYSFSIUXKVETK-APWZRJJASA-N 1 1 480.704 2.768 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001294641296 1062160581 /nfs/dbraw/zinc/16/05/81/1062160581.db2.gz LSQBQXYYQHINAN-OTWHNJEPSA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294642899 1062166541 /nfs/dbraw/zinc/16/65/41/1062166541.db2.gz WRACCVJSUFDTQO-MRXNPFEDSA-N 1 1 482.448 2.674 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647491 1062182773 /nfs/dbraw/zinc/18/27/73/1062182773.db2.gz DLJDKGHIRQTXQN-INIZCTEOSA-N 1 1 478.439 2.873 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001294648244 1062185920 /nfs/dbraw/zinc/18/59/20/1062185920.db2.gz ILFRYPGNVGRQKT-QGZVFWFLSA-N 1 1 478.439 2.826 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)CC2)C1 ZINC001294648278 1062187005 /nfs/dbraw/zinc/18/70/05/1062187005.db2.gz JBMDXFJUTRWRBX-AWEZNQCLSA-N 1 1 467.437 2.827 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)CC2)C1 ZINC001294648279 1062187034 /nfs/dbraw/zinc/18/70/34/1062187034.db2.gz JBMDXFJUTRWRBX-CQSZACIVSA-N 1 1 467.437 2.827 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294648464 1062187087 /nfs/dbraw/zinc/18/70/87/1062187087.db2.gz RFTXCOBJDFZERJ-VQTJNVASSA-N 1 1 485.633 2.802 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001294648926 1062189115 /nfs/dbraw/zinc/18/91/15/1062189115.db2.gz LLRWQQVOWIBFOB-BVZFJXPGSA-N 1 1 470.618 2.657 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001294649465 1062190869 /nfs/dbraw/zinc/19/08/69/1062190869.db2.gz BJFQDFZBVGPAMQ-SFHVURJKSA-N 1 1 456.595 2.524 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001294649964 1062193434 /nfs/dbraw/zinc/19/34/34/1062193434.db2.gz GALGWIPNJOCKFT-PMACEKPBSA-N 1 1 464.618 2.681 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001294649980 1062194603 /nfs/dbraw/zinc/19/46/03/1062194603.db2.gz GNIXVZAKOXOXFP-OAHLLOKOSA-N 1 1 453.513 2.758 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](OC)C2)C1 ZINC001294651682 1062197056 /nfs/dbraw/zinc/19/70/56/1062197056.db2.gz ZXUMYXDRTIXMMM-IEBWSBKVSA-N 1 1 459.591 2.928 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001294652199 1062198065 /nfs/dbraw/zinc/19/80/65/1062198065.db2.gz XRFWXAOEUINRPU-MRXNPFEDSA-N 1 1 467.540 2.900 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656839 1062201718 /nfs/dbraw/zinc/20/17/18/1062201718.db2.gz IJQIMPHSKGDSQH-RTBURBONSA-N 1 1 456.591 2.615 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)n2CC(C)(C)O)cs1 ZINC001290435026 1062202567 /nfs/dbraw/zinc/20/25/67/1062202567.db2.gz DTXBCCAXHDKXGL-UHFFFAOYSA-N 1 1 483.686 2.659 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001290435210 1062203296 /nfs/dbraw/zinc/20/32/96/1062203296.db2.gz KCQGNROOSGUHLH-INIZCTEOSA-N 1 1 453.607 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCCS(C)(=O)=O)cs1 ZINC001290435690 1062206162 /nfs/dbraw/zinc/20/61/62/1062206162.db2.gz XUBWXSSIZRRVKD-UHFFFAOYSA-N 1 1 480.704 2.771 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287072389 1062207117 /nfs/dbraw/zinc/20/71/17/1062207117.db2.gz BJNYRPXVCWGORH-GOSISDBHSA-N 1 1 471.606 2.554 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294659164 1062207107 /nfs/dbraw/zinc/20/71/07/1062207107.db2.gz UGYKKAGYIYQSAB-SLFFLAALSA-N 1 1 462.639 2.960 20 0 JFADMO Cc1nc(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290440474 1062208962 /nfs/dbraw/zinc/20/89/62/1062208962.db2.gz CFMOXMJGRBAWRQ-XQBPLPMBSA-N 1 1 492.690 2.763 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287073268 1062211514 /nfs/dbraw/zinc/21/15/14/1062211514.db2.gz BRULKTOIYXNSHW-HSALFYBXSA-N 1 1 492.665 2.511 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294661533 1062212243 /nfs/dbraw/zinc/21/22/43/1062212243.db2.gz QEDSFLGZUYVPNO-FQEVSTJZSA-N 1 1 492.665 2.600 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)C1 ZINC001294661677 1062213054 /nfs/dbraw/zinc/21/30/54/1062213054.db2.gz SZHOJVUQUXYUAQ-SFHLNBCPSA-N 1 1 476.021 2.614 20 0 JFADMO Cc1nc(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCn2cc[nH+]c2C)cs1 ZINC001290442043 1062214963 /nfs/dbraw/zinc/21/49/63/1062214963.db2.gz VHHRFPMRDJQNHJ-INIZCTEOSA-N 1 1 455.510 2.997 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001294663772 1062215636 /nfs/dbraw/zinc/21/56/36/1062215636.db2.gz SIDNILSIKZAIRT-NRFANRHFSA-N 1 1 453.635 2.737 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667397 1062222571 /nfs/dbraw/zinc/22/25/71/1062222571.db2.gz ZPGDKGGYULRHOG-PMACEKPBSA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001294668805 1062223912 /nfs/dbraw/zinc/22/39/12/1062223912.db2.gz DEJPMMDXGPPYHE-CJFMBICVSA-N 1 1 492.665 2.719 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294669923 1062226297 /nfs/dbraw/zinc/22/62/97/1062226297.db2.gz OAOAFLIUYIBDEX-FQEVSTJZSA-N 1 1 475.659 2.645 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670374 1062228246 /nfs/dbraw/zinc/22/82/46/1062228246.db2.gz QZAGNPFDPHWZEG-DBXWQHBBSA-N 1 1 476.647 2.706 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670375 1062228290 /nfs/dbraw/zinc/22/82/90/1062228290.db2.gz QZAGNPFDPHWZEG-LVCYWYKZSA-N 1 1 476.647 2.706 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001294671384 1062229358 /nfs/dbraw/zinc/22/93/58/1062229358.db2.gz WDQLKUISCRYHFG-OAQYLSRUSA-N 1 1 464.618 2.607 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671498 1062230617 /nfs/dbraw/zinc/23/06/17/1062230617.db2.gz XOBAXIILSXFGRG-VAMGGRTRSA-N 1 1 469.696 2.800 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674961 1062235186 /nfs/dbraw/zinc/23/51/86/1062235186.db2.gz PHNMISYPBDKNBT-VAMGGRTRSA-N 1 1 478.638 2.591 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001294675146 1062235781 /nfs/dbraw/zinc/23/57/81/1062235781.db2.gz RZOIEGGDUUELBD-UHFFFAOYSA-N 1 1 467.662 2.957 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)[NH+]1CCOCC1 ZINC001290465219 1062250232 /nfs/dbraw/zinc/25/02/32/1062250232.db2.gz HXJIEGDMXZJRPN-UXHICEINSA-N 1 1 453.624 2.656 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC001290466131 1062250811 /nfs/dbraw/zinc/25/08/11/1062250811.db2.gz XPIJNRWTRQKMCE-UXHICEINSA-N 1 1 451.612 2.581 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294692377 1062252288 /nfs/dbraw/zinc/25/22/88/1062252288.db2.gz ARVQTCNRGFEJPB-SFTDATJTSA-N 1 1 482.633 2.542 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001294693635 1062253045 /nfs/dbraw/zinc/25/30/45/1062253045.db2.gz OWYXBDJEJFJXSL-HXUWFJFHSA-N 1 1 468.650 2.705 20 0 JFADMO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294694544 1062255243 /nfs/dbraw/zinc/25/52/43/1062255243.db2.gz KJJUWSPGPFARGR-SFTDATJTSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294694544 1062255263 /nfs/dbraw/zinc/25/52/63/1062255263.db2.gz KJJUWSPGPFARGR-SFTDATJTSA-N 1 1 496.722 2.865 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001294695341 1062256071 /nfs/dbraw/zinc/25/60/71/1062256071.db2.gz ZYYPLBMVPPVKNR-OAQYLSRUSA-N 1 1 467.618 2.514 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294697590 1062259365 /nfs/dbraw/zinc/25/93/65/1062259365.db2.gz HZWUOXVCMHKCQL-GMAHTHKFSA-N 1 1 496.704 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294697591 1062259395 /nfs/dbraw/zinc/25/93/95/1062259395.db2.gz UVDQZOJAROBPNK-FUHWJXTLSA-N 1 1 492.466 2.978 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001294698461 1062260814 /nfs/dbraw/zinc/26/08/14/1062260814.db2.gz JJZSDYKWPVKVMQ-FQEVSTJZSA-N 1 1 470.618 2.929 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001294698470 1062260860 /nfs/dbraw/zinc/26/08/60/1062260860.db2.gz XRIWXOZUYTUFOI-HMXCVIKNSA-N 1 1 482.695 2.548 20 0 JFADMO Cc1ncc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC001290474739 1062265495 /nfs/dbraw/zinc/26/54/95/1062265495.db2.gz RXLCTQUCXRVNSN-UHFFFAOYSA-N 1 1 483.642 2.698 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001294705597 1062269095 /nfs/dbraw/zinc/26/90/95/1062269095.db2.gz BWNGYOSQGJGDNI-YPAWHYETSA-N 1 1 496.722 2.748 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001294705596 1062269136 /nfs/dbraw/zinc/26/91/36/1062269136.db2.gz BWNGYOSQGJGDNI-VSKRKVRLSA-N 1 1 496.722 2.748 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294706775 1062271104 /nfs/dbraw/zinc/27/11/04/1062271104.db2.gz DNJKEABOOKJADO-MQSCRBSSSA-N 1 1 485.629 2.790 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294706774 1062271311 /nfs/dbraw/zinc/27/13/11/1062271311.db2.gz DNJKEABOOKJADO-FUPPJEDESA-N 1 1 485.629 2.790 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294707722 1062271753 /nfs/dbraw/zinc/27/17/53/1062271753.db2.gz AIOBDAOTUODWEQ-OALUTQOASA-N 1 1 458.582 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 ZINC001294707703 1062272024 /nfs/dbraw/zinc/27/20/24/1062272024.db2.gz FUUIBGZXPKXSSU-SFHVURJKSA-N 1 1 491.434 2.820 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294708108 1062273778 /nfs/dbraw/zinc/27/37/78/1062273778.db2.gz CIDWYPWQDHQBFF-SVFBPWRDSA-N 1 1 489.592 2.621 20 0 JFADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001294708355 1062274489 /nfs/dbraw/zinc/27/44/89/1062274489.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001294708355 1062274511 /nfs/dbraw/zinc/27/45/11/1062274511.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 1 1 455.651 2.685 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287089292 1062275840 /nfs/dbraw/zinc/27/58/40/1062275840.db2.gz YKHUTYLWHZSIEL-QGZVFWFLSA-N 1 1 492.024 2.818 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287089292 1062275860 /nfs/dbraw/zinc/27/58/60/1062275860.db2.gz YKHUTYLWHZSIEL-QGZVFWFLSA-N 1 1 492.024 2.818 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001294710101 1062278494 /nfs/dbraw/zinc/27/84/94/1062278494.db2.gz OAXHFYFGVKFDLO-IRFCIJBXSA-N 1 1 462.664 2.786 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294710999 1062279535 /nfs/dbraw/zinc/27/95/35/1062279535.db2.gz OWBCTMYQGLVUAJ-ROUUACIJSA-N 1 1 456.557 3.000 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713129 1062283421 /nfs/dbraw/zinc/28/34/21/1062283421.db2.gz TYYZGJYNWYPDKH-RTBURBONSA-N 1 1 459.639 2.607 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713128 1062283519 /nfs/dbraw/zinc/28/35/19/1062283519.db2.gz TYYZGJYNWYPDKH-RBUKOAKNSA-N 1 1 459.639 2.607 20 0 JFADMO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(F)(F)F ZINC001287091366 1062284836 /nfs/dbraw/zinc/28/48/36/1062284836.db2.gz YKCKWFLDDRRCAA-IBGZPJMESA-N 1 1 494.562 2.958 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287093333 1062291737 /nfs/dbraw/zinc/29/17/37/1062291737.db2.gz SSDLKUVQUKTCAL-NRFANRHFSA-N 1 1 499.660 2.868 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccn2)cc1F ZINC001290501384 1062293954 /nfs/dbraw/zinc/29/39/54/1062293954.db2.gz LJDSJCLHOXRCMB-INIZCTEOSA-N 1 1 498.588 2.601 20 0 JFADMO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001294720123 1062294370 /nfs/dbraw/zinc/29/43/70/1062294370.db2.gz IKZHYECSHWWOLW-QFQXNSOFSA-N 1 1 490.693 2.888 20 0 JFADMO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001294720121 1062294521 /nfs/dbraw/zinc/29/45/21/1062294521.db2.gz IKZHYECSHWWOLW-HFZDXXHNSA-N 1 1 490.693 2.888 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 ZINC001290501555 1062294523 /nfs/dbraw/zinc/29/45/23/1062294523.db2.gz ONIVSQUBVVNHGW-LPHOPBHVSA-N 1 1 486.646 2.698 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290504805 1062302751 /nfs/dbraw/zinc/30/27/51/1062302751.db2.gz ZRIRUCWCVHTGKP-QGZVFWFLSA-N 1 1 499.019 2.514 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001290507516 1062305237 /nfs/dbraw/zinc/30/52/37/1062305237.db2.gz MDGZEZIEQKGYPJ-MRXNPFEDSA-N 1 1 457.529 2.799 20 0 JFADMO O=C(OCc1ccccc1)N1CC(O)(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001290508255 1062307001 /nfs/dbraw/zinc/30/70/01/1062307001.db2.gz BUCJKJXFXVVTRB-UHFFFAOYSA-N 1 1 457.958 2.758 20 0 JFADMO O=C(OCc1ccccc1)N1CC(O)(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001290508255 1062307023 /nfs/dbraw/zinc/30/70/23/1062307023.db2.gz BUCJKJXFXVVTRB-UHFFFAOYSA-N 1 1 457.958 2.758 20 0 JFADMO Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290508924 1062307594 /nfs/dbraw/zinc/30/75/94/1062307594.db2.gz XEDAQCFTNBGZRI-UHFFFAOYSA-N 1 1 456.639 2.696 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001294725099 1062307837 /nfs/dbraw/zinc/30/78/37/1062307837.db2.gz RQVKYFKXUYQVBA-KDURUIRLSA-N 1 1 490.052 2.942 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001290510621 1062308088 /nfs/dbraw/zinc/30/80/88/1062308088.db2.gz FOLTWNLHTPLYII-HOTGVXAUSA-N 1 1 463.583 2.820 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1F ZINC001290510622 1062308363 /nfs/dbraw/zinc/30/83/63/1062308363.db2.gz FOLTWNLHTPLYII-HZPDHXFCSA-N 1 1 463.583 2.820 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001290510815 1062308973 /nfs/dbraw/zinc/30/89/73/1062308973.db2.gz GSYCCGCOJBGPEQ-UHFFFAOYSA-N 1 1 471.631 2.898 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2)CC1 ZINC001290511183 1062309317 /nfs/dbraw/zinc/30/93/17/1062309317.db2.gz MWZCZVFQRRAHFE-SFHVURJKSA-N 1 1 471.631 2.868 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001290511336 1062310093 /nfs/dbraw/zinc/31/00/93/1062310093.db2.gz REPKGOHOSHFHAK-FQEVSTJZSA-N 1 1 455.538 2.729 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001290511304 1062310244 /nfs/dbraw/zinc/31/02/44/1062310244.db2.gz QIZCVCCSMKBKOS-RBBKRZOGSA-N 1 1 470.666 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001290515354 1062314709 /nfs/dbraw/zinc/31/47/09/1062314709.db2.gz XUCVLUYKKMZYIB-CYBMUJFWSA-N 1 1 464.393 2.676 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294733415 1062315020 /nfs/dbraw/zinc/31/50/20/1062315020.db2.gz BYRMDUUBTYJHTR-OAQYLSRUSA-N 1 1 486.636 2.958 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1Cl ZINC001290515405 1062315495 /nfs/dbraw/zinc/31/54/95/1062315495.db2.gz YPMVJCUSVCKELU-SFHVURJKSA-N 1 1 457.966 2.993 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001290515398 1062315586 /nfs/dbraw/zinc/31/55/86/1062315586.db2.gz YLWUVKWADNHYLY-OAHLLOKOSA-N 1 1 472.391 2.970 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001290515568 1062316346 /nfs/dbraw/zinc/31/63/46/1062316346.db2.gz LSYQQSQVZPVSFY-NRFANRHFSA-N 1 1 464.618 2.990 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001290515623 1062316429 /nfs/dbraw/zinc/31/64/29/1062316429.db2.gz NCDIGTPSXSYACT-UHFFFAOYSA-N 1 1 450.591 2.600 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001290517522 1062317560 /nfs/dbraw/zinc/31/75/60/1062317560.db2.gz GQHPMYYZYKCXEQ-IBGZPJMESA-N 1 1 488.637 2.705 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290521333 1062320955 /nfs/dbraw/zinc/32/09/55/1062320955.db2.gz IXSSGZCCAVOLTH-INIZCTEOSA-N 1 1 458.364 2.614 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001290521520 1062321743 /nfs/dbraw/zinc/32/17/43/1062321743.db2.gz KOLVCEXRRIFQDH-SJLPKXTDSA-N 1 1 476.578 2.776 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001290521795 1062322350 /nfs/dbraw/zinc/32/23/50/1062322350.db2.gz PQRRLAXNXZEMNQ-CQSZACIVSA-N 1 1 476.354 2.754 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001290523412 1062323628 /nfs/dbraw/zinc/32/36/28/1062323628.db2.gz OJRPVWLERZUGRQ-LBPRGKRZSA-N 1 1 465.402 2.755 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001290522284 1062323785 /nfs/dbraw/zinc/32/37/85/1062323785.db2.gz WQBNQAOZLYDIAB-UHFFFAOYSA-N 1 1 496.012 2.803 20 0 JFADMO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+]2CC)CC1=O ZINC001294740250 1062324262 /nfs/dbraw/zinc/32/42/62/1062324262.db2.gz OHILGSSQKGQRRY-OAQYLSRUSA-N 1 1 454.619 2.833 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001290523947 1062324586 /nfs/dbraw/zinc/32/45/86/1062324586.db2.gz VOAHLEBXPLPXJH-WOJBJXKFSA-N 1 1 457.623 2.756 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001290524482 1062325539 /nfs/dbraw/zinc/32/55/39/1062325539.db2.gz DBQKHWIMLBQVRF-OALUTQOASA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001290524448 1062325589 /nfs/dbraw/zinc/32/55/89/1062325589.db2.gz CLEPOQBLOOIVMV-UHFFFAOYSA-N 1 1 455.529 2.967 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CCC(N)=O)CC1 ZINC001290524769 1062326772 /nfs/dbraw/zinc/32/67/72/1062326772.db2.gz MFEXFWTUCHPJBC-UHFFFAOYSA-N 1 1 457.529 2.834 20 0 JFADMO CC(C)=CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287112193 1062328406 /nfs/dbraw/zinc/32/84/06/1062328406.db2.gz NHPCSXFGFHWLNC-ZCNNSNEGSA-N 1 1 460.623 2.926 20 0 JFADMO CC(C)=CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287112193 1062328432 /nfs/dbraw/zinc/32/84/32/1062328432.db2.gz NHPCSXFGFHWLNC-ZCNNSNEGSA-N 1 1 460.623 2.926 20 0 JFADMO C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@H]1C[N@H+](C)CCO1 ZINC001294742603 1062329670 /nfs/dbraw/zinc/32/96/70/1062329670.db2.gz RUOSUGDTDJFBBX-SUMWQHHRSA-N 1 1 450.333 2.768 20 0 JFADMO C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)[C@H]1C[N@@H+](C)CCO1 ZINC001294742603 1062329695 /nfs/dbraw/zinc/32/96/95/1062329695.db2.gz RUOSUGDTDJFBBX-SUMWQHHRSA-N 1 1 450.333 2.768 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CCOc2ccccc2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001290529389 1062330230 /nfs/dbraw/zinc/33/02/30/1062330230.db2.gz OSCJJZKDNULMTQ-UHFFFAOYSA-N 1 1 454.575 2.940 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)Cc1cnn(C)c1 ZINC001290529490 1062330546 /nfs/dbraw/zinc/33/05/46/1062330546.db2.gz QGFFRTIEPAHZLD-KDURUIRLSA-N 1 1 469.594 2.624 20 0 JFADMO C[C@@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC001294743135 1062330625 /nfs/dbraw/zinc/33/06/25/1062330625.db2.gz WPQWVBIDULVCLR-MUKKUYKPSA-N 1 1 459.509 2.765 20 0 JFADMO C[C@@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC001294743135 1062330646 /nfs/dbraw/zinc/33/06/46/1062330646.db2.gz WPQWVBIDULVCLR-MUKKUYKPSA-N 1 1 459.509 2.765 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001290529991 1062331245 /nfs/dbraw/zinc/33/12/45/1062331245.db2.gz VDHJNMOJEREMHF-CJNGLKHVSA-N 1 1 483.520 2.631 20 0 JFADMO Cc1nccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290530123 1062331659 /nfs/dbraw/zinc/33/16/59/1062331659.db2.gz YQHXPTIPTTWDRE-UHFFFAOYSA-N 1 1 470.647 2.785 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001294743994 1062334548 /nfs/dbraw/zinc/33/45/48/1062334548.db2.gz JHJKHTTUCAHVSV-QFIPXVFZSA-N 1 1 495.672 2.998 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001294744217 1062335306 /nfs/dbraw/zinc/33/53/06/1062335306.db2.gz OUFLGGPMRNMUHM-NQIIRXRSSA-N 1 1 488.658 2.762 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC001294745380 1062337800 /nfs/dbraw/zinc/33/78/00/1062337800.db2.gz OFHULUKENPLWJL-QFIPXVFZSA-N 1 1 453.635 2.838 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001287114787 1062339036 /nfs/dbraw/zinc/33/90/36/1062339036.db2.gz PTSLDJMIJQUEMI-HMXCVIKNSA-N 1 1 460.667 2.984 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294748201 1062339530 /nfs/dbraw/zinc/33/95/30/1062339530.db2.gz BAIDFJLDDXUYDP-MJGOQNOKSA-N 1 1 456.591 2.504 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294748200 1062339579 /nfs/dbraw/zinc/33/95/79/1062339579.db2.gz BAIDFJLDDXUYDP-HKUYNNGSSA-N 1 1 456.591 2.504 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294749408 1062340161 /nfs/dbraw/zinc/34/01/61/1062340161.db2.gz JGIRPCBLHTUTSL-IBGZPJMESA-N 1 1 467.039 2.555 20 0 JFADMO O=C(CCC(=O)c1ccc(I)cc1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001294752091 1062341462 /nfs/dbraw/zinc/34/14/62/1062341462.db2.gz JWNUIYLOVDVRCS-QGZVFWFLSA-N 1 1 458.340 2.607 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001294752818 1062341618 /nfs/dbraw/zinc/34/16/18/1062341618.db2.gz CJUWWYXGQOOOAG-IBGZPJMESA-N 1 1 470.528 2.963 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294753828 1062342978 /nfs/dbraw/zinc/34/29/78/1062342978.db2.gz QPPUSIHKHCOAEK-MOPGFXCFSA-N 1 1 470.622 2.961 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 ZINC001294754546 1062344537 /nfs/dbraw/zinc/34/45/37/1062344537.db2.gz FSYXIMCVALKDJK-PMACEKPBSA-N 1 1 482.695 2.502 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001294755568 1062345278 /nfs/dbraw/zinc/34/52/78/1062345278.db2.gz PDSQGDBXWCBYST-KRWDZBQOSA-N 1 1 462.545 2.910 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001294757102 1062346520 /nfs/dbraw/zinc/34/65/20/1062346520.db2.gz JENWXFHQYCQISV-ZWKOTPCHSA-N 1 1 472.556 2.823 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294758574 1062348579 /nfs/dbraw/zinc/34/85/79/1062348579.db2.gz YKOUGECHPPTUAF-NRFANRHFSA-N 1 1 469.634 2.626 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001294759343 1062349400 /nfs/dbraw/zinc/34/94/00/1062349400.db2.gz CBLJATSSIJPPMZ-SFHVURJKSA-N 1 1 491.434 2.820 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287117736 1062353103 /nfs/dbraw/zinc/35/31/03/1062353103.db2.gz IOFXTSMTTFPPGY-HXUWFJFHSA-N 1 1 474.675 2.782 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287117736 1062353120 /nfs/dbraw/zinc/35/31/20/1062353120.db2.gz IOFXTSMTTFPPGY-HXUWFJFHSA-N 1 1 474.675 2.782 20 0 JFADMO CCCn1nc(-c2nnc(N(C)C[C@@H](C)CC)n2C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2c1=O ZINC001294765898 1062357244 /nfs/dbraw/zinc/35/72/44/1062357244.db2.gz ZHUCXTBQDILRAA-AVRWGWEMSA-N 1 1 467.618 2.614 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CCOC)n2CC[N@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001294766800 1062360179 /nfs/dbraw/zinc/36/01/79/1062360179.db2.gz UAKOKBUKEFXGBL-SFHVURJKSA-N 1 1 453.591 2.632 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001294770399 1062368131 /nfs/dbraw/zinc/36/81/31/1062368131.db2.gz FTHXHNWUFSUTBK-RBUKOAKNSA-N 1 1 469.634 2.523 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001294770397 1062368254 /nfs/dbraw/zinc/36/82/54/1062368254.db2.gz FTHXHNWUFSUTBK-MOPGFXCFSA-N 1 1 469.634 2.523 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001290566138 1062369508 /nfs/dbraw/zinc/36/95/08/1062369508.db2.gz RJMVIQJRFICMAW-UHFFFAOYSA-N 1 1 465.650 2.979 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C3CCCC3)n2CCCNC(=O)C(C)C)CC1 ZINC001290566502 1062369554 /nfs/dbraw/zinc/36/95/54/1062369554.db2.gz ZPPBZSHPPBCISO-UHFFFAOYSA-N 1 1 470.666 2.771 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290578162 1062384008 /nfs/dbraw/zinc/38/40/08/1062384008.db2.gz NRPFFDZOYVMEPD-YADHBBJMSA-N 1 1 485.681 2.834 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+]3CCCO)C2)n1 ZINC001290585299 1062393791 /nfs/dbraw/zinc/39/37/91/1062393791.db2.gz UOODEOZGGGOKGE-RTWAWAEBSA-N 1 1 458.655 2.763 20 0 JFADMO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+]3CCCO)C2)n1 ZINC001290585298 1062393835 /nfs/dbraw/zinc/39/38/35/1062393835.db2.gz UOODEOZGGGOKGE-NHCUHLMSSA-N 1 1 458.655 2.763 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001294789058 1062395738 /nfs/dbraw/zinc/39/57/38/1062395738.db2.gz ABGLJOAUMPSGSN-GOTSBHOMSA-N 1 1 495.672 2.630 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001287128014 1062398092 /nfs/dbraw/zinc/39/80/92/1062398092.db2.gz LWAVZCWBFSGZRI-NRFANRHFSA-N 1 1 472.609 2.796 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294790552 1062403256 /nfs/dbraw/zinc/40/32/56/1062403256.db2.gz RCULLYDGRPQITP-SFTDATJTSA-N 1 1 472.634 2.946 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290597718 1062419462 /nfs/dbraw/zinc/41/94/62/1062419462.db2.gz HUEZUDKYHQHXCA-HSZRJFAPSA-N 1 1 478.645 2.719 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cscn3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001290599884 1062431331 /nfs/dbraw/zinc/43/13/31/1062431331.db2.gz OBMCCYQCJDURSN-UHFFFAOYSA-N 1 1 471.679 2.506 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290607150 1062449531 /nfs/dbraw/zinc/44/95/31/1062449531.db2.gz MOUNTZUBSZXPDG-BHIFYINESA-N 1 1 459.639 2.644 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCCC2)n1 ZINC001290612525 1062456683 /nfs/dbraw/zinc/45/66/83/1062456683.db2.gz LYZTWBDYWZZFPG-SZPZYZBQSA-N 1 1 473.666 2.770 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2(O)CCCCCC2)n1 ZINC001290612525 1062456693 /nfs/dbraw/zinc/45/66/93/1062456693.db2.gz LYZTWBDYWZZFPG-SZPZYZBQSA-N 1 1 473.666 2.770 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294806604 1062459672 /nfs/dbraw/zinc/45/96/72/1062459672.db2.gz WVUFHGQYGNHBLI-JOCHJYFZSA-N 1 1 466.630 2.882 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290618154 1062473831 /nfs/dbraw/zinc/47/38/31/1062473831.db2.gz SWRPQXNVDSJCSX-PCCBWWKXSA-N 1 1 459.639 2.643 20 0 JFADMO CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001287137323 1062477847 /nfs/dbraw/zinc/47/78/47/1062477847.db2.gz APUUKVBNMLBIBI-QHCPKHFHSA-N 1 1 468.646 2.903 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001290619038 1062478091 /nfs/dbraw/zinc/47/80/91/1062478091.db2.gz YQECRYAJEUPOPV-WIYYLYMNSA-N 1 1 485.036 2.763 20 0 JFADMO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287139635 1062490331 /nfs/dbraw/zinc/49/03/31/1062490331.db2.gz DPHNDFQDPHXPEN-HSZRJFAPSA-N 1 1 461.614 2.747 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc[nH+]c2C)CC1 ZINC001294820541 1062502189 /nfs/dbraw/zinc/50/21/89/1062502189.db2.gz XTFNZINMRAKNCR-UHFFFAOYSA-N 1 1 489.422 2.983 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294822752 1062508216 /nfs/dbraw/zinc/50/82/16/1062508216.db2.gz QPUXPXYTZUZTTB-UHFFFAOYSA-N 1 1 454.619 2.799 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294822752 1062508239 /nfs/dbraw/zinc/50/82/39/1062508239.db2.gz QPUXPXYTZUZTTB-UHFFFAOYSA-N 1 1 454.619 2.799 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287144705 1062508887 /nfs/dbraw/zinc/50/88/87/1062508887.db2.gz IBFMXMYDCQBKTQ-RXVVDRJESA-N 1 1 464.408 2.635 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287144705 1062508905 /nfs/dbraw/zinc/50/89/05/1062508905.db2.gz IBFMXMYDCQBKTQ-RXVVDRJESA-N 1 1 464.408 2.635 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001287151402 1062522892 /nfs/dbraw/zinc/52/28/92/1062522892.db2.gz ARHGTMAVCGTXLV-FQEVSTJZSA-N 1 1 451.619 2.979 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001290639659 1062524137 /nfs/dbraw/zinc/52/41/37/1062524137.db2.gz LKXKDFZFCDCGTN-UHFFFAOYSA-N 1 1 458.655 2.755 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287153085 1062529607 /nfs/dbraw/zinc/52/96/07/1062529607.db2.gz MBSWJROGYCZVAU-BVZFJXPGSA-N 1 1 472.609 2.528 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001290641434 1062529818 /nfs/dbraw/zinc/52/98/18/1062529818.db2.gz PORHVYIVRJQJCB-UHFFFAOYSA-N 1 1 499.708 2.892 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOc4ccccc4)CC3)n2CCC(C)(C)O)n1 ZINC001290645548 1062535387 /nfs/dbraw/zinc/53/53/87/1062535387.db2.gz BEGJGJSKVIVCJF-UHFFFAOYSA-N 1 1 467.618 2.502 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294841245 1062535704 /nfs/dbraw/zinc/53/57/04/1062535704.db2.gz YMNFMDQOPVGVIK-YLJYHZDGSA-N 1 1 461.010 2.672 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CCc4cccs4)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290646506 1062537552 /nfs/dbraw/zinc/53/75/52/1062537552.db2.gz ICUWWWLSHCPZQP-UHFFFAOYSA-N 1 1 470.691 2.906 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CCc4cccs4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001290646506 1062537576 /nfs/dbraw/zinc/53/75/76/1062537576.db2.gz ICUWWWLSHCPZQP-UHFFFAOYSA-N 1 1 470.691 2.906 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290647158 1062539721 /nfs/dbraw/zinc/53/97/21/1062539721.db2.gz CAQUYOBIUJKPPO-LEWJYISDSA-N 1 1 459.639 2.500 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001290648835 1062545475 /nfs/dbraw/zinc/54/54/75/1062545475.db2.gz WZASGDCZRBEHRU-UHFFFAOYSA-N 1 1 486.709 2.809 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001294847687 1062546731 /nfs/dbraw/zinc/54/67/31/1062546731.db2.gz WNAKTHZCTWQYPI-ZWKOTPCHSA-N 1 1 456.591 2.552 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290654647 1062554169 /nfs/dbraw/zinc/55/41/69/1062554169.db2.gz RGHUIZAKPJYOKM-NJDAHSKKSA-N 1 1 461.680 2.827 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001290654683 1062554519 /nfs/dbraw/zinc/55/45/19/1062554519.db2.gz RUIUDDSCTGRVSO-PWRODBHTSA-N 1 1 461.680 2.707 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H]3CO)CCO2)n1 ZINC001290660735 1062567457 /nfs/dbraw/zinc/56/74/57/1062567457.db2.gz OCMHRCDWTYHGIY-VXKWHMMOSA-N 1 1 473.666 2.531 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163201 1062567705 /nfs/dbraw/zinc/56/77/05/1062567705.db2.gz BPAAAOIZXBJKGB-VAMGGRTRSA-N 1 1 478.638 2.590 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163364 1062569117 /nfs/dbraw/zinc/56/91/17/1062569117.db2.gz PJGVFDXITDPGRY-NRFANRHFSA-N 1 1 476.666 2.541 20 0 JFADMO CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001294862941 1062570067 /nfs/dbraw/zinc/57/00/67/1062570067.db2.gz YVNKEYGYCYCFRI-NRFANRHFSA-N 1 1 484.645 2.728 20 0 JFADMO CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001287163748 1062571098 /nfs/dbraw/zinc/57/10/98/1062571098.db2.gz QYWPFGZOKQAAEM-GOSISDBHSA-N 1 1 471.433 2.657 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC001287165919 1062576989 /nfs/dbraw/zinc/57/69/89/1062576989.db2.gz WJTJZVHGROVPQX-NHCUHLMSSA-N 1 1 492.571 2.840 20 0 JFADMO CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001294871318 1062577654 /nfs/dbraw/zinc/57/76/54/1062577654.db2.gz USQWDTRMMSCQBU-UHFFFAOYSA-N 1 1 487.674 2.641 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287166484 1062577941 /nfs/dbraw/zinc/57/79/41/1062577941.db2.gz IVGWLGRFKWNLPV-PMACEKPBSA-N 1 1 490.674 2.765 20 0 JFADMO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC001290667845 1062578599 /nfs/dbraw/zinc/57/85/99/1062578599.db2.gz RXUCJCDRUOTTLP-XMMPIXPASA-N 1 1 486.709 2.611 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001294882748 1062596025 /nfs/dbraw/zinc/59/60/25/1062596025.db2.gz GGRZDZIGWLNKHO-UHFFFAOYSA-N 1 1 484.626 2.872 20 0 JFADMO CC(C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287174575 1062597636 /nfs/dbraw/zinc/59/76/36/1062597636.db2.gz IQSTXMSRISECGM-MOPGFXCFSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287177263 1062601294 /nfs/dbraw/zinc/60/12/94/1062601294.db2.gz WYRYBCAIGSHPJS-ICSRJNTNSA-N 1 1 463.648 2.849 20 0 JFADMO CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287181732 1062607716 /nfs/dbraw/zinc/60/77/16/1062607716.db2.gz VALAFKSDIRIRBL-FQEVSTJZSA-N 1 1 480.617 2.629 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CCC(=O)N1CCOCC1 ZINC001287183047 1062608828 /nfs/dbraw/zinc/60/88/28/1062608828.db2.gz PTECLYNSZQPVCL-QFIPXVFZSA-N 1 1 454.619 2.609 20 0 JFADMO CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187537 1062613423 /nfs/dbraw/zinc/61/34/23/1062613423.db2.gz XOMLQZYMPQTIRB-WOJBJXKFSA-N 1 1 491.681 2.886 20 0 JFADMO CC(C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187536 1062613534 /nfs/dbraw/zinc/61/35/34/1062613534.db2.gz XOMLQZYMPQTIRB-VQTJNVASSA-N 1 1 491.681 2.886 20 0 JFADMO CC(C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287192775 1062621525 /nfs/dbraw/zinc/62/15/25/1062621525.db2.gz VNECIPMBMXYEGQ-NLFFAJNJSA-N 1 1 492.734 2.987 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001287195704 1062626533 /nfs/dbraw/zinc/62/65/33/1062626533.db2.gz AKJFSUYETJPQQE-JOCHJYFZSA-N 1 1 475.659 2.565 20 0 JFADMO CC(C)c1nnc(N2CCC(CCCO)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287197527 1062630260 /nfs/dbraw/zinc/63/02/60/1062630260.db2.gz USTVEEDIOIOPDE-UHFFFAOYSA-N 1 1 455.651 2.998 20 0 JFADMO CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294899868 1062636136 /nfs/dbraw/zinc/63/61/36/1062636136.db2.gz NFAIFSXBHQXVCC-YADHBBJMSA-N 1 1 454.619 2.799 20 0 JFADMO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290706836 1062640697 /nfs/dbraw/zinc/64/06/97/1062640697.db2.gz MRJDMVKEWJSVTO-HWPVKAJDSA-N 1 1 462.639 2.800 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294909979 1062653857 /nfs/dbraw/zinc/65/38/57/1062653857.db2.gz FCZZWAVGYHWTOP-HSZRJFAPSA-N 1 1 461.614 2.891 20 0 JFADMO Cc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290736965 1062659112 /nfs/dbraw/zinc/65/91/12/1062659112.db2.gz AIEHRGMTWVLIAP-WIOPSUGQSA-N 1 1 480.661 2.828 20 0 JFADMO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290746375 1062664911 /nfs/dbraw/zinc/66/49/11/1062664911.db2.gz QWLHURJHSNQOHQ-MRXNPFEDSA-N 1 1 472.453 2.766 20 0 JFADMO Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750507 1062668344 /nfs/dbraw/zinc/66/83/44/1062668344.db2.gz ACZNIOMSHZIIHO-DVECYGJZSA-N 1 1 480.654 2.598 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287213839 1062672628 /nfs/dbraw/zinc/67/26/28/1062672628.db2.gz FOQXDQUVAHGUPR-HXUWFJFHSA-N 1 1 460.648 2.662 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001290760128 1062674249 /nfs/dbraw/zinc/67/42/49/1062674249.db2.gz QFDTZVUYOADNIB-FQEVSTJZSA-N 1 1 468.646 2.939 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001290760128 1062674259 /nfs/dbraw/zinc/67/42/59/1062674259.db2.gz QFDTZVUYOADNIB-FQEVSTJZSA-N 1 1 468.646 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214203 1062676305 /nfs/dbraw/zinc/67/63/05/1062676305.db2.gz KFPOEBAGQTYVJD-FQEVSTJZSA-N 1 1 461.010 2.877 20 0 JFADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001290763040 1062678391 /nfs/dbraw/zinc/67/83/91/1062678391.db2.gz OXMMCIVHYODWPY-IBGZPJMESA-N 1 1 452.525 2.980 20 0 JFADMO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001290763008 1062678540 /nfs/dbraw/zinc/67/85/40/1062678540.db2.gz OEOBXNUXVKWLQX-IBGZPJMESA-N 1 1 450.509 2.540 20 0 JFADMO Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290764948 1062680771 /nfs/dbraw/zinc/68/07/71/1062680771.db2.gz ZETSDJOJQAPUCD-UHFFFAOYSA-N 1 1 461.998 2.601 20 0 JFADMO Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290764948 1062680787 /nfs/dbraw/zinc/68/07/87/1062680787.db2.gz ZETSDJOJQAPUCD-UHFFFAOYSA-N 1 1 461.998 2.601 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCn2cc[nH+]c2C)cc1OC ZINC001294923317 1062689981 /nfs/dbraw/zinc/68/99/81/1062689981.db2.gz FQUOULKJGTVXBU-QGZVFWFLSA-N 1 1 467.574 2.615 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287216932 1062696016 /nfs/dbraw/zinc/69/60/16/1062696016.db2.gz WOZBTXDCTSGBIZ-HSZRJFAPSA-N 1 1 480.679 2.667 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001287219441 1062701835 /nfs/dbraw/zinc/70/18/35/1062701835.db2.gz LHAPJRBDHNFCGR-SFHVURJKSA-N 1 1 462.639 2.958 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001294928322 1062702765 /nfs/dbraw/zinc/70/27/65/1062702765.db2.gz YVMPRTUTUTUWKQ-WOJBJXKFSA-N 1 1 484.645 2.999 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290801326 1062705961 /nfs/dbraw/zinc/70/59/61/1062705961.db2.gz UEJURQLVYDUMFW-UHFFFAOYSA-N 1 1 484.649 2.687 20 0 JFADMO CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287221446 1062706573 /nfs/dbraw/zinc/70/65/73/1062706573.db2.gz UOHKHQPYEWVCNZ-QFIPXVFZSA-N 1 1 453.635 2.671 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287224565 1062712324 /nfs/dbraw/zinc/71/23/24/1062712324.db2.gz VKMZKIIGIMZOAL-OAQYLSRUSA-N 1 1 455.607 2.844 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287224421 1062712444 /nfs/dbraw/zinc/71/24/44/1062712444.db2.gz STHDLVHJMVUFJK-QFIPXVFZSA-N 1 1 454.619 2.647 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935660 1062713436 /nfs/dbraw/zinc/71/34/36/1062713436.db2.gz XBDORYDNUVJAFQ-NRFANRHFSA-N 1 1 451.518 2.655 20 0 JFADMO NS(=O)(=O)c1cccc(CNC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC001290819130 1062713746 /nfs/dbraw/zinc/71/37/46/1062713746.db2.gz BBXNOIPZYDMFFY-HSZRJFAPSA-N 1 1 455.555 2.991 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935887 1062713915 /nfs/dbraw/zinc/71/39/15/1062713915.db2.gz ROXUZSJEYVNJIR-RPBOFIJWSA-N 1 1 473.618 2.814 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001294939839 1062722921 /nfs/dbraw/zinc/72/29/21/1062722921.db2.gz DWDUNQVPWCQGAB-FQEVSTJZSA-N 1 1 486.661 2.994 20 0 JFADMO Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290829096 1062722899 /nfs/dbraw/zinc/72/28/99/1062722899.db2.gz QVEYQHBACGURCX-RPWUZVMVSA-N 1 1 468.646 2.866 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294939839 1062722945 /nfs/dbraw/zinc/72/29/45/1062722945.db2.gz DWDUNQVPWCQGAB-FQEVSTJZSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294939839 1062722968 /nfs/dbraw/zinc/72/29/68/1062722968.db2.gz DWDUNQVPWCQGAB-FQEVSTJZSA-N 1 1 486.661 2.994 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290829097 1062723123 /nfs/dbraw/zinc/72/31/23/1062723123.db2.gz QVEYQHBACGURCX-ZEQRLZLVSA-N 1 1 468.646 2.866 20 0 JFADMO CC(C)c1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001287232700 1062724449 /nfs/dbraw/zinc/72/44/49/1062724449.db2.gz WFDNUSNFKHRJKV-RTBURBONSA-N 1 1 460.627 2.859 20 0 JFADMO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC001290841199 1062729689 /nfs/dbraw/zinc/72/96/89/1062729689.db2.gz APYBYXQNEKIGKX-UHFFFAOYSA-N 1 1 456.395 2.836 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841654 1062729973 /nfs/dbraw/zinc/72/99/73/1062729973.db2.gz QSTMOIKOKMZXQY-CTNGQTDRSA-N 1 1 452.555 2.941 20 0 JFADMO Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290842038 1062731117 /nfs/dbraw/zinc/73/11/17/1062731117.db2.gz KJSMIRSUVSTKEI-QFIPXVFZSA-N 1 1 475.037 2.829 20 0 JFADMO Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001290846491 1062732797 /nfs/dbraw/zinc/73/27/97/1062732797.db2.gz CPRXOYZULNSZPP-UHFFFAOYSA-N 1 1 460.648 2.752 20 0 JFADMO CN1CC[NH+](Cc2ccc(NC(=O)c3cccc(I)c3N)cc2)CC1 ZINC001290851235 1062734994 /nfs/dbraw/zinc/73/49/94/1062734994.db2.gz CPIOXTRRRGYUDE-UHFFFAOYSA-N 1 1 450.324 2.873 20 0 JFADMO COCC[N@@H+](C)CCCNC(=O)c1cc(I)ccc1Br ZINC001290851571 1062735530 /nfs/dbraw/zinc/73/55/30/1062735530.db2.gz HOQLRMHCDBWYAP-UHFFFAOYSA-N 1 1 455.134 2.752 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1 ZINC001290859719 1062744126 /nfs/dbraw/zinc/74/41/26/1062744126.db2.gz IHYJAIAGAJBIPC-UHFFFAOYSA-N 1 1 456.587 2.502 20 0 JFADMO CCCOc1ccc(Cn2c(CC)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1OC ZINC001294965501 1062747227 /nfs/dbraw/zinc/74/72/27/1062747227.db2.gz OXCBGUUVWXCVGM-SIKLNZKXSA-N 1 1 484.645 2.675 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CCO1 ZINC001287274052 1062747389 /nfs/dbraw/zinc/74/73/89/1062747389.db2.gz ICKKTTTYLKWOEN-LJQANCHMSA-N 1 1 481.439 2.630 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290868488 1062752192 /nfs/dbraw/zinc/75/21/92/1062752192.db2.gz YVGFFDSPBJHXAC-QFIPXVFZSA-N 1 1 459.683 2.620 20 0 JFADMO CCCOc1ccc(Cn2c(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001294972560 1062755377 /nfs/dbraw/zinc/75/53/77/1062755377.db2.gz VWMGQZGBUHCOSG-UHFFFAOYSA-N 1 1 483.661 2.942 20 0 JFADMO CCCOc1ccc(Cn2c(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001294972560 1062755391 /nfs/dbraw/zinc/75/53/91/1062755391.db2.gz VWMGQZGBUHCOSG-UHFFFAOYSA-N 1 1 483.661 2.942 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290870421 1062756244 /nfs/dbraw/zinc/75/62/44/1062756244.db2.gz TXHHLINCCXJJJH-QKDPSFTKSA-N 1 1 473.710 2.914 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290870424 1062756283 /nfs/dbraw/zinc/75/62/83/1062756283.db2.gz TXHHLINCCXJJJH-WQMHRJNTSA-N 1 1 473.710 2.914 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875799 1062760574 /nfs/dbraw/zinc/76/05/74/1062760574.db2.gz GEFURLPMSZOOEI-OAQYLSRUSA-N 1 1 465.017 2.853 20 0 JFADMO CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294976864 1062760726 /nfs/dbraw/zinc/76/07/26/1062760726.db2.gz DMWLWUUTZAYTSZ-CTNGQTDRSA-N 1 1 469.634 2.767 20 0 JFADMO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290877177 1062761740 /nfs/dbraw/zinc/76/17/40/1062761740.db2.gz SRYBYOBAFLMNBP-HXUWFJFHSA-N 1 1 471.650 2.754 20 0 JFADMO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001290879485 1062763608 /nfs/dbraw/zinc/76/36/08/1062763608.db2.gz RFTOPYLHSBNOSS-HSZRJFAPSA-N 1 1 474.675 2.607 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001290890434 1062768962 /nfs/dbraw/zinc/76/89/62/1062768962.db2.gz DEGAKBSSKBQHLX-IBGZPJMESA-N 1 1 458.603 2.614 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001290890435 1062769005 /nfs/dbraw/zinc/76/90/05/1062769005.db2.gz DEGAKBSSKBQHLX-LJQANCHMSA-N 1 1 458.603 2.614 20 0 JFADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001290894815 1062770449 /nfs/dbraw/zinc/77/04/49/1062770449.db2.gz UVBJITVBXVAWOU-HNNXBMFYSA-N 1 1 453.914 2.676 20 0 JFADMO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290900594 1062772782 /nfs/dbraw/zinc/77/27/82/1062772782.db2.gz QFHXVWWYGJSNEZ-QHAWAJNXSA-N 1 1 462.639 2.683 20 0 JFADMO Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001290902729 1062776472 /nfs/dbraw/zinc/77/64/72/1062776472.db2.gz VDJGKOXJSHYMLH-NRFANRHFSA-N 1 1 458.603 2.573 20 0 JFADMO COC(=O)Nc1cc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc(C(F)(F)F)c1 ZINC001290902713 1062776507 /nfs/dbraw/zinc/77/65/07/1062776507.db2.gz UVCHHRYXIAQJDQ-UHFFFAOYSA-N 1 1 456.465 2.510 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287306038 1062776838 /nfs/dbraw/zinc/77/68/38/1062776838.db2.gz IPSFEHUBDRDBEE-URVUXULASA-N 1 1 460.667 2.671 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287308473 1062781389 /nfs/dbraw/zinc/78/13/89/1062781389.db2.gz PTOWHININOKSJA-FYYLOGMGSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287308473 1062781408 /nfs/dbraw/zinc/78/14/08/1062781408.db2.gz PTOWHININOKSJA-FYYLOGMGSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287310142 1062782933 /nfs/dbraw/zinc/78/29/33/1062782933.db2.gz WSTRHNZOIKLBPZ-OFNKIYASSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287310142 1062782956 /nfs/dbraw/zinc/78/29/56/1062782956.db2.gz WSTRHNZOIKLBPZ-OFNKIYASSA-N 1 1 456.635 2.872 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920187 1062795339 /nfs/dbraw/zinc/79/53/39/1062795339.db2.gz FJMHNNPRPGABKT-YTFSRNRJSA-N 1 1 456.631 2.943 20 0 JFADMO Cc1sc(=O)n(CC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1-c1ccccc1 ZINC001290920257 1062795424 /nfs/dbraw/zinc/79/54/24/1062795424.db2.gz GKTJPWIRBMTMCI-UHFFFAOYSA-N 1 1 450.608 2.949 20 0 JFADMO CCCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295008914 1062796790 /nfs/dbraw/zinc/79/67/90/1062796790.db2.gz QPKZEQNEKJKBBK-NFBKMPQASA-N 1 1 484.645 2.548 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295009577 1062798065 /nfs/dbraw/zinc/79/80/65/1062798065.db2.gz XTMWMEJVLULNIX-CPJSRVTESA-N 1 1 473.618 2.718 20 0 JFADMO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287335709 1062814235 /nfs/dbraw/zinc/81/42/35/1062814235.db2.gz WMISWALZGQSHDJ-DNQXCXABSA-N 1 1 469.678 2.789 20 0 JFADMO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290944603 1062818708 /nfs/dbraw/zinc/81/87/08/1062818708.db2.gz SJKZDWIUTMOUJP-WOJBJXKFSA-N 1 1 472.638 2.860 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CCN1CCCS1(=O)=O ZINC001287349741 1062822978 /nfs/dbraw/zinc/82/29/78/1062822978.db2.gz BCCYZXDLSVZWTL-JOCHJYFZSA-N 1 1 474.675 2.613 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287351904 1062823760 /nfs/dbraw/zinc/82/37/60/1062823760.db2.gz KUEGXYGTJGGLAN-FGZHOGPDSA-N 1 1 474.675 2.611 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287351985 1062824019 /nfs/dbraw/zinc/82/40/19/1062824019.db2.gz LHNWCLQHCWWLRW-FGZHOGPDSA-N 1 1 470.666 2.729 20 0 JFADMO C[C@H](CNC(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290955050 1062830441 /nfs/dbraw/zinc/83/04/41/1062830441.db2.gz SIUGHFUYBFYVII-DYESRHJHSA-N 1 1 454.575 2.528 20 0 JFADMO C[C@@H](C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)N(C)C(=O)OC(C)(C)C ZINC001290955071 1062831066 /nfs/dbraw/zinc/83/10/66/1062831066.db2.gz SWCHBLCOPOEKEY-HNNXBMFYSA-N 1 1 452.527 2.680 20 0 JFADMO CC(C)Cc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001287375037 1062833223 /nfs/dbraw/zinc/83/32/23/1062833223.db2.gz SVGOKWRCCBWJMP-IBGZPJMESA-N 1 1 452.603 2.941 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287398156 1062842788 /nfs/dbraw/zinc/84/27/88/1062842788.db2.gz LZNGTYQLYDDHIC-HDICACEKSA-N 1 1 488.599 2.871 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295044734 1062843383 /nfs/dbraw/zinc/84/33/83/1062843383.db2.gz AVJBQEQVTMTNRW-UXHICEINSA-N 1 1 494.681 2.975 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295044734 1062843400 /nfs/dbraw/zinc/84/34/00/1062843400.db2.gz AVJBQEQVTMTNRW-UXHICEINSA-N 1 1 494.681 2.975 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287400511 1062845534 /nfs/dbraw/zinc/84/55/34/1062845534.db2.gz ULJYJPNWWMADJK-NRFANRHFSA-N 1 1 467.540 2.829 20 0 JFADMO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287413407 1062852204 /nfs/dbraw/zinc/85/22/04/1062852204.db2.gz IKMWZVULCTZYJS-FQEVSTJZSA-N 1 1 476.691 2.857 20 0 JFADMO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001287425339 1062863442 /nfs/dbraw/zinc/86/34/42/1062863442.db2.gz HTOBGRKOKUGQQM-GOSISDBHSA-N 1 1 455.607 2.503 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290988516 1062877327 /nfs/dbraw/zinc/87/73/27/1062877327.db2.gz IUDVRBGXLXYRFR-HDICACEKSA-N 1 1 463.671 2.524 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287448542 1062884098 /nfs/dbraw/zinc/88/40/98/1062884098.db2.gz VTFKDXBMNPRQRD-CTNGQTDRSA-N 1 1 479.633 2.529 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990730 1062884486 /nfs/dbraw/zinc/88/44/86/1062884486.db2.gz VVPGVJOJBMBOAP-XZWCOCNFSA-N 1 1 476.666 2.557 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998754 1062892198 /nfs/dbraw/zinc/89/21/98/1062892198.db2.gz PZWIQEDYIHMRBJ-WCIQWLHISA-N 1 1 484.711 2.506 20 0 JFADMO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001290999198 1062893644 /nfs/dbraw/zinc/89/36/44/1062893644.db2.gz JLIMMZHMFJMWAJ-QEEYODRMSA-N 1 1 451.413 2.595 20 0 JFADMO CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999737 1062894577 /nfs/dbraw/zinc/89/45/77/1062894577.db2.gz TTXJMFKHKAKOHK-JSXRDJHFSA-N 1 1 476.666 2.616 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287456983 1062895018 /nfs/dbraw/zinc/89/50/18/1062895018.db2.gz UNXMBYBXLXUGMG-UHFFFAOYSA-N 1 1 473.710 2.876 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000596 1062896067 /nfs/dbraw/zinc/89/60/67/1062896067.db2.gz VQXZOERDKZBWQY-OTWHNJEPSA-N 1 1 467.680 2.552 20 0 JFADMO CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291002498 1062899573 /nfs/dbraw/zinc/89/95/73/1062899573.db2.gz VMINUOSMSZRGNO-IMIIHFCZSA-N 1 1 490.693 2.744 20 0 JFADMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075717 1062902485 /nfs/dbraw/zinc/90/24/85/1062902485.db2.gz ARSWJHRKMZKTSB-QZTJIDSGSA-N 1 1 457.596 2.871 20 0 JFADMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075717 1062902516 /nfs/dbraw/zinc/90/25/16/1062902516.db2.gz ARSWJHRKMZKTSB-QZTJIDSGSA-N 1 1 457.596 2.871 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079287 1062909124 /nfs/dbraw/zinc/90/91/24/1062909124.db2.gz XIUQYRFQTOHQBG-QZTJIDSGSA-N 1 1 454.575 2.805 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079287 1062909143 /nfs/dbraw/zinc/90/91/43/1062909143.db2.gz XIUQYRFQTOHQBG-QZTJIDSGSA-N 1 1 454.575 2.805 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287464666 1062909697 /nfs/dbraw/zinc/90/96/97/1062909697.db2.gz ROQSXYUKBJOKEK-QHCPKHFHSA-N 1 1 497.688 2.961 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010885 1062910224 /nfs/dbraw/zinc/91/02/24/1062910224.db2.gz CAUMSRIMBIKGKD-ZGXWSNOMSA-N 1 1 455.669 2.757 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010882 1062910375 /nfs/dbraw/zinc/91/03/75/1062910375.db2.gz CAUMSRIMBIKGKD-IYWMVGAKSA-N 1 1 455.669 2.757 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011592 1062912563 /nfs/dbraw/zinc/91/25/63/1062912563.db2.gz MOTMRMSXCWRPFK-LRSLUSHPSA-N 1 1 481.707 2.800 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)C2)C1 ZINC001291012295 1062915608 /nfs/dbraw/zinc/91/56/08/1062915608.db2.gz XFVIQMYHXDSWGH-HDICACEKSA-N 1 1 460.573 2.841 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916153 /nfs/dbraw/zinc/91/61/53/1062916153.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 1 1 494.750 2.859 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916180 /nfs/dbraw/zinc/91/61/80/1062916180.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 1 1 494.750 2.859 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012549 1062916589 /nfs/dbraw/zinc/91/65/89/1062916589.db2.gz AUGUBYSFOHLFJO-CEXWTWQISA-N 1 1 480.704 2.684 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287469807 1062917061 /nfs/dbraw/zinc/91/70/61/1062917061.db2.gz VMTSOLYFOKQXRX-HOYKHHGWSA-N 1 1 462.589 2.705 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCOCC2)C1 ZINC001291013159 1062919568 /nfs/dbraw/zinc/91/95/68/1062919568.db2.gz JUMCYWTYKUJVLB-BGYRXZFFSA-N 1 1 475.659 2.943 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287471670 1062920393 /nfs/dbraw/zinc/92/03/93/1062920393.db2.gz NHHHKLALCJUSLL-FQEVSTJZSA-N 1 1 462.042 2.698 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013611 1062920901 /nfs/dbraw/zinc/92/09/01/1062920901.db2.gz PJWDCULWRZTYTO-IYWMVGAKSA-N 1 1 455.669 2.757 20 0 JFADMO CCN(C)C(=O)Cn1c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085476 1062922443 /nfs/dbraw/zinc/92/24/43/1062922443.db2.gz XTFKSICWQAQDAH-ATIYNZHBSA-N 1 1 484.645 2.508 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287472258 1062922614 /nfs/dbraw/zinc/92/26/14/1062922614.db2.gz ZERDTYFNIJABEC-UHFFFAOYSA-N 1 1 457.642 2.968 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287472258 1062922632 /nfs/dbraw/zinc/92/26/32/1062922632.db2.gz ZERDTYFNIJABEC-UHFFFAOYSA-N 1 1 457.642 2.968 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccccc3F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287472258 1062922653 /nfs/dbraw/zinc/92/26/53/1062922653.db2.gz ZERDTYFNIJABEC-UHFFFAOYSA-N 1 1 457.642 2.968 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001291015763 1062926553 /nfs/dbraw/zinc/92/65/53/1062926553.db2.gz VUZUKVCPWCGYFZ-CEXWTWQISA-N 1 1 460.648 2.863 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001291018436 1062932414 /nfs/dbraw/zinc/93/24/14/1062932414.db2.gz GIXMLXSBEABKNE-MXNKGDRCSA-N 1 1 454.619 2.783 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001295109604 1062934038 /nfs/dbraw/zinc/93/40/38/1062934038.db2.gz XLVAMEMQZBSFST-JOCHJYFZSA-N 1 1 456.612 2.536 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287481626 1062936867 /nfs/dbraw/zinc/93/68/67/1062936867.db2.gz GAGCVNFILRVMNU-QGZVFWFLSA-N 1 1 467.540 2.829 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)CC2)c1 ZINC001295126192 1062939459 /nfs/dbraw/zinc/93/94/59/1062939459.db2.gz CTPAMBCTQLLKCH-CYFREDJKSA-N 1 1 492.690 2.784 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001287486160 1062942147 /nfs/dbraw/zinc/94/21/47/1062942147.db2.gz GYIVYIFIAYSKBL-IBGZPJMESA-N 1 1 469.055 2.515 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001295126457 1062942218 /nfs/dbraw/zinc/94/22/18/1062942218.db2.gz HHPKYYFMKYPJHP-SHQCIBLASA-N 1 1 498.672 2.924 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(CC(=O)N(C)C)CC2)c1 ZINC001295126882 1062943731 /nfs/dbraw/zinc/94/37/31/1062943731.db2.gz KFNTUWUFOXPYGT-UHFFFAOYSA-N 1 1 481.689 2.721 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(I)cc1 ZINC001287486971 1062943883 /nfs/dbraw/zinc/94/38/83/1062943883.db2.gz OFDRWMKEHBGMKF-GOSISDBHSA-N 1 1 481.382 2.650 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(I)cc1 ZINC001287486971 1062943909 /nfs/dbraw/zinc/94/39/09/1062943909.db2.gz OFDRWMKEHBGMKF-GOSISDBHSA-N 1 1 481.382 2.650 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001295127096 1062944452 /nfs/dbraw/zinc/94/44/52/1062944452.db2.gz LJHINKAAHKMZEU-UHFFFAOYSA-N 1 1 482.654 2.777 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001291023077 1062944403 /nfs/dbraw/zinc/94/44/03/1062944403.db2.gz PIEZIMNQBJIDIP-BHIFYINESA-N 1 1 457.619 2.779 20 0 JFADMO CC(C)Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001287488316 1062946343 /nfs/dbraw/zinc/94/63/43/1062946343.db2.gz XXUHYMURNCZEED-YLJYHZDGSA-N 1 1 460.026 2.989 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)c1 ZINC001295127724 1062947127 /nfs/dbraw/zinc/94/71/27/1062947127.db2.gz SZAZRAHNJFLEFV-SFHVURJKSA-N 1 1 456.616 2.709 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)c1 ZINC001295131703 1062949152 /nfs/dbraw/zinc/94/91/52/1062949152.db2.gz HJTSVUCNTCKKQP-IGKWTDBASA-N 1 1 484.645 2.559 20 0 JFADMO C[C@@H]1C[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC001291026351 1062950576 /nfs/dbraw/zinc/95/05/76/1062950576.db2.gz IJESDAPBOPGPOJ-HSALFYBXSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@@H]1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC001291026350 1062950645 /nfs/dbraw/zinc/95/06/45/1062950645.db2.gz IJESDAPBOPGPOJ-AQNXPRMDSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@@H]1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC001291026352 1062950759 /nfs/dbraw/zinc/95/07/59/1062950759.db2.gz IJESDAPBOPGPOJ-VAMGGRTRSA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287525695 1062962886 /nfs/dbraw/zinc/96/28/86/1062962886.db2.gz KLLODQLXTVGPCD-HFZDXXHNSA-N 1 1 499.660 2.661 20 0 JFADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H](C)C1CCC1 ZINC001295144992 1062963693 /nfs/dbraw/zinc/96/36/93/1062963693.db2.gz MNXKDQNOCCMCNC-DLBZAZTESA-N 1 1 486.646 2.841 20 0 JFADMO C[C@H]1C[C@@H](N(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001291032528 1062963814 /nfs/dbraw/zinc/96/38/14/1062963814.db2.gz PVJKGDOISVVFAZ-UNMCSNQZSA-N 1 1 468.646 2.924 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(I)cc1 ZINC001295145554 1062965686 /nfs/dbraw/zinc/96/56/86/1062965686.db2.gz FUBNQVBMKJQYFQ-IEBWSBKVSA-N 1 1 450.320 2.904 20 0 JFADMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145457 1062965752 /nfs/dbraw/zinc/96/57/52/1062965752.db2.gz DHUVGZGIUBCHLP-YTFNCPKPSA-N 1 1 451.611 2.909 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145523 1062966302 /nfs/dbraw/zinc/96/63/02/1062966302.db2.gz FJWCIRYYVMIYOZ-ZWKOTPCHSA-N 1 1 455.452 2.974 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1csc(I)c1 ZINC001295145916 1062966985 /nfs/dbraw/zinc/96/69/85/1062966985.db2.gz HRJSYPGARFRYCW-CVEARBPZSA-N 1 1 456.349 2.966 20 0 JFADMO C[C@H]1C[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291036182 1062967709 /nfs/dbraw/zinc/96/77/09/1062967709.db2.gz LTVRCLLAAJWOFQ-ROUUACIJSA-N 1 1 460.648 2.720 20 0 JFADMO C[C@H]1C[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291036183 1062967812 /nfs/dbraw/zinc/96/78/12/1062967812.db2.gz LTVRCLLAAJWOFQ-ZWKOTPCHSA-N 1 1 460.648 2.720 20 0 JFADMO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295147810 1062968667 /nfs/dbraw/zinc/96/86/67/1062968667.db2.gz MYPPBIXUPNMCSF-LPHOPBHVSA-N 1 1 476.578 2.776 20 0 JFADMO C[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291039329 1062969211 /nfs/dbraw/zinc/96/92/11/1062969211.db2.gz ASPZNQCTGBFRQS-GUDVDZBRSA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291039329 1062969229 /nfs/dbraw/zinc/96/92/29/1062969229.db2.gz ASPZNQCTGBFRQS-GUDVDZBRSA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291039331 1062969294 /nfs/dbraw/zinc/96/92/94/1062969294.db2.gz ASPZNQCTGBFRQS-QYZOEREBSA-N 1 1 478.638 2.714 20 0 JFADMO C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291039331 1062969317 /nfs/dbraw/zinc/96/93/17/1062969317.db2.gz ASPZNQCTGBFRQS-QYZOEREBSA-N 1 1 478.638 2.714 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291043355 1062972237 /nfs/dbraw/zinc/97/22/37/1062972237.db2.gz BPZBWNXWHSWZAO-KURKYZTESA-N 1 1 466.627 2.784 20 0 JFADMO CC(C)CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001287538758 1062973916 /nfs/dbraw/zinc/97/39/16/1062973916.db2.gz YGXZHJUZCLJVOJ-SANMLTNESA-N 1 1 484.693 2.917 20 0 JFADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001295157313 1062980670 /nfs/dbraw/zinc/98/06/70/1062980670.db2.gz ZAXHLFPSEFOIBM-SFHVURJKSA-N 1 1 471.631 2.889 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC3CC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001291052733 1062984724 /nfs/dbraw/zinc/98/47/24/1062984724.db2.gz XOCXIVPJKJSWOK-KDURUIRLSA-N 1 1 471.616 2.720 20 0 JFADMO CC(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287567549 1062989000 /nfs/dbraw/zinc/98/90/00/1062989000.db2.gz RDGBFLVQOGGQCY-XZOQPEGZSA-N 1 1 462.683 2.840 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001295169837 1062993625 /nfs/dbraw/zinc/99/36/25/1062993625.db2.gz DYCMYQFIWCIOMP-HXUWFJFHSA-N 1 1 450.381 2.772 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295170427 1062994216 /nfs/dbraw/zinc/99/42/16/1062994216.db2.gz KAGXEQAEDSUOCF-IBGZPJMESA-N 1 1 488.614 2.571 20 0 JFADMO CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295209055 1063023934 /nfs/dbraw/zinc/02/39/34/1063023934.db2.gz UTPKPAVUBIJMQX-HKBOAZHASA-N 1 1 461.632 2.836 20 0 JFADMO C[C@@H](Cn1c(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001291077040 1063027779 /nfs/dbraw/zinc/02/77/79/1063027779.db2.gz WRJYHKBIDNWRDD-HKBOAZHASA-N 1 1 473.710 2.875 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001295216966 1063032139 /nfs/dbraw/zinc/03/21/39/1063032139.db2.gz KOCZGGXXFPKRGQ-OAQYLSRUSA-N 1 1 482.695 2.644 20 0 JFADMO C[C@H]1CCC[C@]1(O)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291080745 1063036729 /nfs/dbraw/zinc/03/67/29/1063036729.db2.gz SVHGFNLXNZYAFW-CPJSRVTESA-N 1 1 456.635 2.610 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001287693011 1063040023 /nfs/dbraw/zinc/04/00/23/1063040023.db2.gz JEYNTPKQUZGPQL-IEBWSBKVSA-N 1 1 450.004 2.845 20 0 JFADMO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220609 1063040382 /nfs/dbraw/zinc/04/03/82/1063040382.db2.gz PUIJLMPGVKAYQD-FGZHOGPDSA-N 1 1 475.659 2.706 20 0 JFADMO CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220609 1063040402 /nfs/dbraw/zinc/04/04/02/1063040402.db2.gz PUIJLMPGVKAYQD-FGZHOGPDSA-N 1 1 475.659 2.706 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695029 1063040685 /nfs/dbraw/zinc/04/06/85/1063040685.db2.gz VCMKSAPGTBGANV-QUCCMNQESA-N 1 1 458.580 2.506 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695027 1063040933 /nfs/dbraw/zinc/04/09/33/1063040933.db2.gz VCMKSAPGTBGANV-AZUAARDMSA-N 1 1 458.580 2.506 20 0 JFADMO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001295225577 1063044606 /nfs/dbraw/zinc/04/46/06/1063044606.db2.gz VAXOHAIAKRKJCD-QMMLZNLJSA-N 1 1 451.658 2.562 20 0 JFADMO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC001287711411 1063045909 /nfs/dbraw/zinc/04/59/09/1063045909.db2.gz IWUXJICTGKNBAX-QHCPKHFHSA-N 1 1 460.648 2.741 20 0 JFADMO CC(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001287725378 1063049958 /nfs/dbraw/zinc/04/99/58/1063049958.db2.gz NSUXWGWPHBJNDH-UHFFFAOYSA-N 1 1 470.666 2.903 20 0 JFADMO CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228291 1063050025 /nfs/dbraw/zinc/05/00/25/1063050025.db2.gz OVNXLDCREWMBTK-FCHUYYIVSA-N 1 1 474.675 2.645 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229540 1063052094 /nfs/dbraw/zinc/05/20/94/1063052094.db2.gz YRMWXCGYBSDZIC-FGZHOGPDSA-N 1 1 474.675 2.645 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229815 1063052549 /nfs/dbraw/zinc/05/25/49/1063052549.db2.gz SPAARASTJCYUHG-IFMALSPDSA-N 1 1 474.675 2.645 20 0 JFADMO CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229978 1063052775 /nfs/dbraw/zinc/05/27/75/1063052775.db2.gz SPAARASTJCYUHG-UNMCSNQZSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001291095785 1063055748 /nfs/dbraw/zinc/05/57/48/1063055748.db2.gz SMPZPKUSIJZJGK-FVJVTNMWSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)C1 ZINC001291095897 1063056192 /nfs/dbraw/zinc/05/61/92/1063056192.db2.gz UXAXSAXLDDXHAS-WOJBJXKFSA-N 1 1 462.664 2.809 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001291096657 1063057730 /nfs/dbraw/zinc/05/77/30/1063057730.db2.gz IPFNTXDTGHKCDY-RTBURBONSA-N 1 1 494.644 2.547 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001291096903 1063059429 /nfs/dbraw/zinc/05/94/29/1063059429.db2.gz MRHLUUIUSDROPX-UXHICEINSA-N 1 1 466.696 2.918 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)N(C)C)C1 ZINC001291096902 1063059518 /nfs/dbraw/zinc/05/95/18/1063059518.db2.gz MRHLUUIUSDROPX-PMACEKPBSA-N 1 1 466.696 2.918 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097314 1063060083 /nfs/dbraw/zinc/06/00/83/1063060083.db2.gz SRBDZSJFSSVSQD-MSOLQXFVSA-N 1 1 466.677 2.928 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097316 1063060283 /nfs/dbraw/zinc/06/02/83/1063060283.db2.gz SRBDZSJFSSVSQD-ROUUACIJSA-N 1 1 466.677 2.928 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C[C@H](C)C2)C1 ZINC001287738050 1063061163 /nfs/dbraw/zinc/06/11/63/1063061163.db2.gz MYAUYDKKLSSYSD-MUGJNUQGSA-N 1 1 454.685 2.739 20 0 JFADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001295241149 1063061533 /nfs/dbraw/zinc/06/15/33/1063061533.db2.gz OSJTUNZKGVCLEZ-OALUTQOASA-N 1 1 451.567 2.829 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001287738485 1063061538 /nfs/dbraw/zinc/06/15/38/1063061538.db2.gz OMDRHZCGUYNKEB-RTWAWAEBSA-N 1 1 468.650 2.844 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291098274 1063061581 /nfs/dbraw/zinc/06/15/81/1063061581.db2.gz KSVIWWLAFYIEGQ-IBGZPJMESA-N 1 1 482.633 2.672 20 0 JFADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 ZINC001295241198 1063061959 /nfs/dbraw/zinc/06/19/59/1063061959.db2.gz PUMMBUGTKNAZOZ-OCCSQVGLSA-N 1 1 458.344 2.619 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1CC(F)(F)F ZINC001291098628 1063062568 /nfs/dbraw/zinc/06/25/68/1063062568.db2.gz RGGCUZRDUPOESX-RBUKOAKNSA-N 1 1 485.599 2.851 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739246 1063062599 /nfs/dbraw/zinc/06/25/99/1063062599.db2.gz RMYZLQORDKCQBY-IRXDYDNUSA-N 1 1 476.638 2.738 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291098689 1063063136 /nfs/dbraw/zinc/06/31/36/1063063136.db2.gz SLVLQQSLPKGTHC-QGZVFWFLSA-N 1 1 472.556 2.672 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287739575 1063063121 /nfs/dbraw/zinc/06/31/21/1063063121.db2.gz SMDTYYHPKANIFS-SFHVURJKSA-N 1 1 451.612 2.933 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001287739908 1063063534 /nfs/dbraw/zinc/06/35/34/1063063534.db2.gz SZUFHTVTNYNDIF-FPLUXXOGSA-N 1 1 486.686 2.971 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001291098897 1063064040 /nfs/dbraw/zinc/06/40/40/1063064040.db2.gz XPNWTZVUQRUKEO-HSALFYBXSA-N 1 1 467.680 2.839 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291099201 1063064342 /nfs/dbraw/zinc/06/43/42/1063064342.db2.gz CZGLAJPJGOSDOH-ICSRJNTNSA-N 1 1 489.665 2.987 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001287740761 1063067144 /nfs/dbraw/zinc/06/71/44/1063067144.db2.gz GHUXQCUSKQOFQY-HXUWFJFHSA-N 1 1 455.651 2.983 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101319 1063071621 /nfs/dbraw/zinc/07/16/21/1063071621.db2.gz QQNXZSMKLWKPGG-LJQANCHMSA-N 1 1 490.697 2.557 20 0 JFADMO CC(C)OCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101550 1063073246 /nfs/dbraw/zinc/07/32/46/1063073246.db2.gz WORMFALZORLPRM-JOCHJYFZSA-N 1 1 489.709 2.572 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101752 1063073981 /nfs/dbraw/zinc/07/39/81/1063073981.db2.gz APPAYPDMBCJGOI-VQTJNVASSA-N 1 1 496.722 2.796 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291101858 1063074422 /nfs/dbraw/zinc/07/44/22/1063074422.db2.gz CSIDZXWIJXZFJZ-FCHUYYIVSA-N 1 1 489.709 2.677 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291102267 1063077076 /nfs/dbraw/zinc/07/70/76/1063077076.db2.gz JYIVCZLBXFJBKR-SFTDATJTSA-N 1 1 489.709 2.534 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291102415 1063077606 /nfs/dbraw/zinc/07/76/06/1063077606.db2.gz MXCDBLMYJSNHJY-SFHVURJKSA-N 1 1 466.696 2.916 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1CCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295260450 1063077958 /nfs/dbraw/zinc/07/79/58/1063077958.db2.gz FYZKFQPGIOBIAQ-NHCUHLMSSA-N 1 1 461.632 2.665 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001287751799 1063079103 /nfs/dbraw/zinc/07/91/03/1063079103.db2.gz UAGIGFHFHIFTDR-KRWDZBQOSA-N 1 1 452.024 2.811 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001291102894 1063079217 /nfs/dbraw/zinc/07/92/17/1063079217.db2.gz VFPAZWWTYSVODB-IFMALSPDSA-N 1 1 468.646 2.781 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103357 1063080711 /nfs/dbraw/zinc/08/07/11/1063080711.db2.gz CGKCCXMXRUNHRR-SFTDATJTSA-N 1 1 495.672 2.560 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291103843 1063082445 /nfs/dbraw/zinc/08/24/45/1063082445.db2.gz LMPXGOADTQWLKF-RTBURBONSA-N 1 1 482.633 2.528 20 0 JFADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291104189 1063083120 /nfs/dbraw/zinc/08/31/20/1063083120.db2.gz QNTSSGJMUWFGQP-QHAWAJNXSA-N 1 1 487.693 2.766 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291104345 1063083553 /nfs/dbraw/zinc/08/35/53/1063083553.db2.gz SKUKYGOUHOHFHB-NJDAHSKKSA-N 1 1 496.660 2.787 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001287758896 1063085081 /nfs/dbraw/zinc/08/50/81/1063085081.db2.gz FACRMBFAKIAXJF-QGZVFWFLSA-N 1 1 496.475 2.920 20 0 JFADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105356 1063086355 /nfs/dbraw/zinc/08/63/55/1063086355.db2.gz IBEJNAOROMYOJE-LEWJYISDSA-N 1 1 472.682 2.594 20 0 JFADMO CCN(C1CCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1)S(C)(=O)=O ZINC001295267476 1063086863 /nfs/dbraw/zinc/08/68/63/1063086863.db2.gz VBBOHJXQYDLTFQ-GHTZIAJQSA-N 1 1 480.704 2.981 20 0 JFADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105359 1063087305 /nfs/dbraw/zinc/08/73/05/1063087305.db2.gz IBEJNAOROMYOJE-SFTDATJTSA-N 1 1 472.682 2.594 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@@H]21)[N@H+]1CCC[C@@H](C)C1 ZINC001291105414 1063087455 /nfs/dbraw/zinc/08/74/55/1063087455.db2.gz JBSJIXBMYOKHBZ-SLHNCBLASA-N 1 1 452.669 2.778 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105623 1063088547 /nfs/dbraw/zinc/08/85/47/1063088547.db2.gz LJASHYAFHAQZJI-ZRNYENFQSA-N 1 1 489.665 2.795 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106094 1063091303 /nfs/dbraw/zinc/09/13/03/1063091303.db2.gz RLKWZWQDKDBGPF-NQNKBUKLSA-N 1 1 480.601 2.643 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106188 1063092175 /nfs/dbraw/zinc/09/21/75/1063092175.db2.gz SQYOZMDAHXRSGS-UEDWAMCQSA-N 1 1 489.665 2.699 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291107147 1063095416 /nfs/dbraw/zinc/09/54/16/1063095416.db2.gz GMBDTUJTJJSWCL-NHCUHLMSSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107296 1063096577 /nfs/dbraw/zinc/09/65/77/1063096577.db2.gz HVZASORXVGOHFC-QRVBRYPASA-N 1 1 458.582 2.784 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107551 1063096987 /nfs/dbraw/zinc/09/69/87/1063096987.db2.gz KEWAAMXXCNOAFF-GUDVDZBRSA-N 1 1 455.669 2.552 20 0 JFADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107737 1063098351 /nfs/dbraw/zinc/09/83/51/1063098351.db2.gz MHHMKPZIIKEIDT-SQNIBIBYSA-N 1 1 460.573 2.934 20 0 JFADMO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108474 1063101151 /nfs/dbraw/zinc/10/11/51/1063101151.db2.gz WONRNUCWPQEPTE-KCZVDYSFSA-N 1 1 474.675 2.788 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291108703 1063102013 /nfs/dbraw/zinc/10/20/13/1063102013.db2.gz ZELJJQNLEFNUII-SFTDATJTSA-N 1 1 453.635 2.689 20 0 JFADMO C[C@H](Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109643 1063105476 /nfs/dbraw/zinc/10/54/76/1063105476.db2.gz PEPWSIWOVWOBCY-RTBURBONSA-N 1 1 468.650 2.517 20 0 JFADMO CCN(C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)CC1)S(C)(=O)=O ZINC001295274213 1063115906 /nfs/dbraw/zinc/11/59/06/1063115906.db2.gz XNXSNDYEULYVDZ-NRFANRHFSA-N 1 1 482.695 2.644 20 0 JFADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291112815 1063116169 /nfs/dbraw/zinc/11/61/69/1063116169.db2.gz RFRDMCWVVIABOU-TVZXLZGTSA-N 1 1 490.693 2.888 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295291387 1063135998 /nfs/dbraw/zinc/13/59/98/1063135998.db2.gz CAODSWVFFVBTPG-BJKOFHAPSA-N 1 1 498.672 2.739 20 0 JFADMO C[C@@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291124401 1063142557 /nfs/dbraw/zinc/14/25/57/1063142557.db2.gz CPFUAHPOYHMSIM-GUDVDZBRSA-N 1 1 485.599 2.814 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)C1 ZINC001291124695 1063144642 /nfs/dbraw/zinc/14/46/42/1063144642.db2.gz IPBLYZIHLCOFSK-TZIWHRDSSA-N 1 1 467.680 2.555 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001291124880 1063145662 /nfs/dbraw/zinc/14/56/62/1063145662.db2.gz LHPRSCVZMGONTA-RBBKRZOGSA-N 1 1 460.667 2.989 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001291124764 1063145832 /nfs/dbraw/zinc/14/58/32/1063145832.db2.gz JQCDQZICWRAYSZ-HSALFYBXSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001291125427 1063147892 /nfs/dbraw/zinc/14/78/92/1063147892.db2.gz UUCLQINPHUMKAG-ZWKOTPCHSA-N 1 1 466.677 2.785 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CO)CC2)C1 ZINC001291125945 1063152166 /nfs/dbraw/zinc/15/21/66/1063152166.db2.gz DKVNMHLSEQZZBY-OAHLLOKOSA-N 1 1 451.413 2.976 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291126046 1063152218 /nfs/dbraw/zinc/15/22/18/1063152218.db2.gz FUTUHORNNQBFFO-INIZCTEOSA-N 1 1 461.408 2.718 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126431 1063155772 /nfs/dbraw/zinc/15/57/72/1063155772.db2.gz MHFPTZOGGLULRT-RTBURBONSA-N 1 1 490.674 2.749 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291127229 1063160959 /nfs/dbraw/zinc/16/09/59/1063160959.db2.gz AMSOTPBWCRZHDD-RTBURBONSA-N 1 1 470.622 2.961 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127164 1063161041 /nfs/dbraw/zinc/16/10/41/1063161041.db2.gz ZRWIRLGYSNGOJR-DOADOZAASA-N 1 1 496.703 2.648 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128343 1063164272 /nfs/dbraw/zinc/16/42/72/1063164272.db2.gz VMIMQDDWGZROQF-WOJBJXKFSA-N 1 1 470.666 2.788 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291128342 1063164446 /nfs/dbraw/zinc/16/44/46/1063164446.db2.gz VMIMQDDWGZROQF-VQTJNVASSA-N 1 1 470.666 2.788 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(F)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291128736 1063165337 /nfs/dbraw/zinc/16/53/37/1063165337.db2.gz BLONYTCXKPEEHD-GOSISDBHSA-N 1 1 479.622 2.742 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291128649 1063165366 /nfs/dbraw/zinc/16/53/66/1063165366.db2.gz ACEDQVYSWVWLJJ-PKOBYXMFSA-N 1 1 479.551 2.501 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291128794 1063166677 /nfs/dbraw/zinc/16/66/77/1063166677.db2.gz CTDIKQYNYKUSMW-ROUUACIJSA-N 1 1 451.612 2.609 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291129425 1063170844 /nfs/dbraw/zinc/17/08/44/1063170844.db2.gz NZFNWIZIXXNSTQ-IRLDBZIGSA-N 1 1 499.660 2.726 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291129424 1063170998 /nfs/dbraw/zinc/17/09/98/1063170998.db2.gz NZFNWIZIXXNSTQ-IFMALSPDSA-N 1 1 499.660 2.726 20 0 JFADMO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001295307057 1063172258 /nfs/dbraw/zinc/17/22/58/1063172258.db2.gz FCXVOEWYXNYQIS-CTNGQTDRSA-N 1 1 473.666 2.518 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291129580 1063173513 /nfs/dbraw/zinc/17/35/13/1063173513.db2.gz REJGICJQYGEAEL-LEWJYISDSA-N 1 1 487.693 2.510 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001291131114 1063179066 /nfs/dbraw/zinc/17/90/66/1063179066.db2.gz VLTYQJFSMZLXQI-AABGKKOBSA-N 1 1 489.665 2.749 20 0 JFADMO C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291134566 1063184654 /nfs/dbraw/zinc/18/46/54/1063184654.db2.gz KVSPENDRVIIPTK-IFMALSPDSA-N 1 1 454.619 2.831 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291135511 1063187925 /nfs/dbraw/zinc/18/79/25/1063187925.db2.gz CWSJXBRCPGUUGA-OALUTQOASA-N 1 1 498.632 2.855 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291135512 1063188074 /nfs/dbraw/zinc/18/80/74/1063188074.db2.gz CWSJXBRCPGUUGA-RBUKOAKNSA-N 1 1 498.632 2.855 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295315197 1063188264 /nfs/dbraw/zinc/18/82/64/1063188264.db2.gz VFZLEPXHZHBBIZ-GOSISDBHSA-N 1 1 479.000 2.907 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295315197 1063188274 /nfs/dbraw/zinc/18/82/74/1063188274.db2.gz VFZLEPXHZHBBIZ-GOSISDBHSA-N 1 1 479.000 2.907 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001291136247 1063191009 /nfs/dbraw/zinc/19/10/09/1063191009.db2.gz SZEOATIPCZRQTG-IAGOWNOFSA-N 1 1 458.529 2.546 20 0 JFADMO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291137326 1063194293 /nfs/dbraw/zinc/19/42/93/1063194293.db2.gz ORHFVHVEMOEFIU-QWFCFKBJSA-N 1 1 476.647 2.501 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001291137146 1063194438 /nfs/dbraw/zinc/19/44/38/1063194438.db2.gz LLEZVSDUSACLMW-CYBMUJFWSA-N 1 1 458.451 2.822 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001291137589 1063196871 /nfs/dbraw/zinc/19/68/71/1063196871.db2.gz TWYWVRDFQWEQAI-ZIAGYGMSSA-N 1 1 467.437 2.920 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137407 1063197120 /nfs/dbraw/zinc/19/71/20/1063197120.db2.gz QIHNAJBCXTXEOL-UYAOXDASSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291137697 1063197910 /nfs/dbraw/zinc/19/79/10/1063197910.db2.gz WCEZKEUGQMLOPC-ZWKOTPCHSA-N 1 1 456.595 2.713 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291137772 1063198991 /nfs/dbraw/zinc/19/89/91/1063198991.db2.gz XUKAKEKSTVDHKW-AABGKKOBSA-N 1 1 489.665 2.579 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291138907 1063201067 /nfs/dbraw/zinc/20/10/67/1063201067.db2.gz SIRSCCNXYKJUDJ-SFHVURJKSA-N 1 1 495.093 2.867 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291138958 1063201527 /nfs/dbraw/zinc/20/15/27/1063201527.db2.gz UCKXZUJFFJKXKX-DLBZAZTESA-N 1 1 491.434 2.806 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291139040 1063201616 /nfs/dbraw/zinc/20/16/16/1063201616.db2.gz UXYZQOFSUYUUIR-QUCCMNQESA-N 1 1 463.623 2.896 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001291139060 1063201739 /nfs/dbraw/zinc/20/17/39/1063201739.db2.gz VESYOHDUEZGRLS-IBGZPJMESA-N 1 1 489.665 2.721 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295322681 1063205223 /nfs/dbraw/zinc/20/52/23/1063205223.db2.gz CVZGGQMLUUBVEK-SIKLNZKXSA-N 1 1 470.618 2.970 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O ZINC001291140176 1063207028 /nfs/dbraw/zinc/20/70/28/1063207028.db2.gz SFTQQZYEVBFWDD-GUDVDZBRSA-N 1 1 455.669 2.552 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N(C)CCn1cccn1 ZINC001291140364 1063208188 /nfs/dbraw/zinc/20/81/88/1063208188.db2.gz WQGYODQMKYAYTF-AQNXPRMDSA-N 1 1 472.638 2.866 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C ZINC001291140408 1063208742 /nfs/dbraw/zinc/20/87/42/1063208742.db2.gz XOKNALPBJDECOP-NRFANRHFSA-N 1 1 459.683 2.585 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295326813 1063217395 /nfs/dbraw/zinc/21/73/95/1063217395.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 1 1 495.672 2.596 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CCc2cccc(C)n2)CC1 ZINC001295326970 1063219115 /nfs/dbraw/zinc/21/91/15/1063219115.db2.gz IPPUKIKYTXLYGT-UHFFFAOYSA-N 1 1 476.629 2.667 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCc2cccc(C)n2)CC1 ZINC001295326970 1063219133 /nfs/dbraw/zinc/21/91/33/1063219133.db2.gz IPPUKIKYTXLYGT-UHFFFAOYSA-N 1 1 476.629 2.667 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CCSC(F)(F)F)CC1 ZINC001295326949 1063219341 /nfs/dbraw/zinc/21/93/41/1063219341.db2.gz HSTASFBCKDWMIF-UHFFFAOYSA-N 1 1 485.580 2.974 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCSC(F)(F)F)CC1 ZINC001295326949 1063219359 /nfs/dbraw/zinc/21/93/59/1063219359.db2.gz HSTASFBCKDWMIF-UHFFFAOYSA-N 1 1 485.580 2.974 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(COC)c2)CC1 ZINC001295327030 1063220052 /nfs/dbraw/zinc/22/00/52/1063220052.db2.gz LKAOTGYWKWDCNS-UHFFFAOYSA-N 1 1 491.640 2.915 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(COC)c2)CC1 ZINC001295327030 1063220069 /nfs/dbraw/zinc/22/00/69/1063220069.db2.gz LKAOTGYWKWDCNS-UHFFFAOYSA-N 1 1 491.640 2.915 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295327026 1063220251 /nfs/dbraw/zinc/22/02/51/1063220251.db2.gz LGQSCVBFYZFSGI-DENIHFKCSA-N 1 1 472.609 2.890 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295327026 1063220267 /nfs/dbraw/zinc/22/02/67/1063220267.db2.gz LGQSCVBFYZFSGI-DENIHFKCSA-N 1 1 472.609 2.890 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)on2)CC1 ZINC001295327345 1063222764 /nfs/dbraw/zinc/22/27/64/1063222764.db2.gz SPEUUCRJROHFHG-UHFFFAOYSA-N 1 1 487.008 2.719 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)on2)CC1 ZINC001295327345 1063222776 /nfs/dbraw/zinc/22/27/76/1063222776.db2.gz SPEUUCRJROHFHG-UHFFFAOYSA-N 1 1 487.008 2.719 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccco2)CC1 ZINC001295327512 1063223627 /nfs/dbraw/zinc/22/36/27/1063223627.db2.gz VXZQDGKXFDUGNS-UHFFFAOYSA-N 1 1 466.586 2.976 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccco2)CC1 ZINC001295327512 1063223649 /nfs/dbraw/zinc/22/36/49/1063223649.db2.gz VXZQDGKXFDUGNS-UHFFFAOYSA-N 1 1 466.586 2.976 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295327522 1063223697 /nfs/dbraw/zinc/22/36/97/1063223697.db2.gz WEKOJQOJFTWUEW-HXUWFJFHSA-N 1 1 471.650 2.711 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001295328097 1063226422 /nfs/dbraw/zinc/22/64/22/1063226422.db2.gz CMEPPEXASDLMPG-UHFFFAOYSA-N 1 1 470.666 2.687 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001295328097 1063226438 /nfs/dbraw/zinc/22/64/38/1063226438.db2.gz CMEPPEXASDLMPG-UHFFFAOYSA-N 1 1 470.666 2.687 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C2CC(C(C)(C)C)C2)CC1 ZINC001295328365 1063227141 /nfs/dbraw/zinc/22/71/41/1063227141.db2.gz FYNFGWJLMCHFAH-UHFFFAOYSA-N 1 1 475.682 2.794 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2C2CC(C(C)(C)C)C2)CC1 ZINC001295328365 1063227162 /nfs/dbraw/zinc/22/71/62/1063227162.db2.gz FYNFGWJLMCHFAH-UHFFFAOYSA-N 1 1 475.682 2.794 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2CC[N@H+]2CCc3ccccc3C2)CC1 ZINC001295329331 1063228745 /nfs/dbraw/zinc/22/87/45/1063228745.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 1 1 481.689 2.840 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C)n2)CC1 ZINC001295333796 1063232378 /nfs/dbraw/zinc/23/23/78/1063232378.db2.gz AJFPEXCQLGJBOP-UHFFFAOYSA-N 1 1 490.656 2.591 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C)n2)CC1 ZINC001295333796 1063232386 /nfs/dbraw/zinc/23/23/86/1063232386.db2.gz AJFPEXCQLGJBOP-UHFFFAOYSA-N 1 1 490.656 2.591 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295333913 1063233675 /nfs/dbraw/zinc/23/36/75/1063233675.db2.gz DIRYXXWVCBBPAD-UXHICEINSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295333913 1063233695 /nfs/dbraw/zinc/23/36/95/1063233695.db2.gz DIRYXXWVCBBPAD-UXHICEINSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@@H]2C)CC1 ZINC001295333831 1063233883 /nfs/dbraw/zinc/23/38/83/1063233883.db2.gz BJOTXNVQYXSRNK-PZJWPPBQSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@@H]2C[C@@H]2C)CC1 ZINC001295333831 1063233901 /nfs/dbraw/zinc/23/39/01/1063233901.db2.gz BJOTXNVQYXSRNK-PZJWPPBQSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295333916 1063234538 /nfs/dbraw/zinc/23/45/38/1063234538.db2.gz DIRYXXWVCBBPAD-WOJBJXKFSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)c2nccs2)CC1 ZINC001295333916 1063234563 /nfs/dbraw/zinc/23/45/63/1063234563.db2.gz DIRYXXWVCBBPAD-WOJBJXKFSA-N 1 1 489.690 2.813 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 ZINC001295334176 1063236262 /nfs/dbraw/zinc/23/62/62/1063236262.db2.gz HLHOQRBBTJCJMJ-UHFFFAOYSA-N 1 1 477.053 2.674 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)O)CC1 ZINC001295334176 1063236280 /nfs/dbraw/zinc/23/62/80/1063236280.db2.gz HLHOQRBBTJCJMJ-UHFFFAOYSA-N 1 1 477.053 2.674 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295334368 1063238154 /nfs/dbraw/zinc/23/81/54/1063238154.db2.gz LZSLRAKHTJCYLP-WOJBJXKFSA-N 1 1 478.707 2.694 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295334368 1063238178 /nfs/dbraw/zinc/23/81/78/1063238178.db2.gz LZSLRAKHTJCYLP-WOJBJXKFSA-N 1 1 478.707 2.694 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@@H]2C)[C@@H]1C ZINC001291150487 1063237959 /nfs/dbraw/zinc/23/79/59/1063237959.db2.gz DGNHDHBYUNNYOD-CEXWTWQISA-N 1 1 460.648 2.914 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2)CC1 ZINC001295334395 1063238779 /nfs/dbraw/zinc/23/87/79/1063238779.db2.gz MSJDPTBQVHCTLJ-QHCPKHFHSA-N 1 1 468.646 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2)CC1 ZINC001295334395 1063238800 /nfs/dbraw/zinc/23/88/00/1063238800.db2.gz MSJDPTBQVHCTLJ-QHCPKHFHSA-N 1 1 468.646 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)C(C)C)CC1 ZINC001295334469 1063240092 /nfs/dbraw/zinc/24/00/92/1063240092.db2.gz PFCYYTMQHKYBOC-VWLOTQADSA-N 1 1 462.683 2.798 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@](C)(O)C(C)C)CC1 ZINC001295334469 1063240104 /nfs/dbraw/zinc/24/01/04/1063240104.db2.gz PFCYYTMQHKYBOC-VWLOTQADSA-N 1 1 462.683 2.798 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001295334504 1063240714 /nfs/dbraw/zinc/24/07/14/1063240714.db2.gz QBVSFDNDKQRTJQ-JOCHJYFZSA-N 1 1 490.693 2.902 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCOC2CCCCCC2)CC1 ZINC001295334504 1063240736 /nfs/dbraw/zinc/24/07/36/1063240736.db2.gz QBVSFDNDKQRTJQ-JOCHJYFZSA-N 1 1 490.693 2.902 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCSC2)CC1 ZINC001295334622 1063241266 /nfs/dbraw/zinc/24/12/66/1063241266.db2.gz QRXCLVIOZUXBFN-LJQANCHMSA-N 1 1 491.731 2.767 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCSC2)CC1 ZINC001295334622 1063241286 /nfs/dbraw/zinc/24/12/86/1063241286.db2.gz QRXCLVIOZUXBFN-LJQANCHMSA-N 1 1 491.731 2.767 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCSC2)CC1 ZINC001295334621 1063241632 /nfs/dbraw/zinc/24/16/32/1063241632.db2.gz QRXCLVIOZUXBFN-IBGZPJMESA-N 1 1 491.731 2.767 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCSC2)CC1 ZINC001295334621 1063241646 /nfs/dbraw/zinc/24/16/46/1063241646.db2.gz QRXCLVIOZUXBFN-IBGZPJMESA-N 1 1 491.731 2.767 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001291152371 1063242229 /nfs/dbraw/zinc/24/22/29/1063242229.db2.gz MQEDZLQVCSJGHP-RBUKOAKNSA-N 1 1 461.632 2.696 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CCC2(O)CCC2)CC1 ZINC001295334812 1063243793 /nfs/dbraw/zinc/24/37/93/1063243793.db2.gz TUSODFBUWPDRBX-UHFFFAOYSA-N 1 1 460.667 2.696 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CCC2(O)CCC2)CC1 ZINC001295334812 1063243810 /nfs/dbraw/zinc/24/38/10/1063243810.db2.gz TUSODFBUWPDRBX-UHFFFAOYSA-N 1 1 460.667 2.696 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001295334856 1063244157 /nfs/dbraw/zinc/24/41/57/1063244157.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 1 1 499.679 2.873 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295334810 1063244313 /nfs/dbraw/zinc/24/43/13/1063244313.db2.gz SZRGGMRUSJSCBZ-WNCULLNHSA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295334810 1063244335 /nfs/dbraw/zinc/24/43/35/1063244335.db2.gz SZRGGMRUSJSCBZ-WNCULLNHSA-N 1 1 497.688 2.992 20 0 JFADMO C[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291158544 1063245037 /nfs/dbraw/zinc/24/50/37/1063245037.db2.gz XYWZKJJSYBQYQX-FQEVSTJZSA-N 1 1 468.627 2.876 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295334956 1063246695 /nfs/dbraw/zinc/24/66/95/1063246695.db2.gz KFZYJHXBHLPLRR-HSZRJFAPSA-N 1 1 483.661 2.624 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295334956 1063246715 /nfs/dbraw/zinc/24/67/15/1063246715.db2.gz KFZYJHXBHLPLRR-HSZRJFAPSA-N 1 1 483.661 2.624 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295335033 1063247406 /nfs/dbraw/zinc/24/74/06/1063247406.db2.gz WWXJAACOADBYKW-SANMLTNESA-N 1 1 488.652 2.904 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295335033 1063247426 /nfs/dbraw/zinc/24/74/26/1063247426.db2.gz WWXJAACOADBYKW-SANMLTNESA-N 1 1 488.652 2.904 20 0 JFADMO C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291164065 1063247689 /nfs/dbraw/zinc/24/76/89/1063247689.db2.gz QCFXWDLDBMOACD-UNMCSNQZSA-N 1 1 475.659 2.708 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001291164362 1063248562 /nfs/dbraw/zinc/24/85/62/1063248562.db2.gz TYKVJXUEIQIQOQ-XZWCOCNFSA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001295335126 1063249268 /nfs/dbraw/zinc/24/92/68/1063249268.db2.gz ZTUAFDNSPJYCRR-UHFFFAOYSA-N 1 1 489.709 2.506 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001295335126 1063249287 /nfs/dbraw/zinc/24/92/87/1063249287.db2.gz ZTUAFDNSPJYCRR-UHFFFAOYSA-N 1 1 489.709 2.506 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295335308 1063251102 /nfs/dbraw/zinc/25/11/02/1063251102.db2.gz SHMKECHXAFEKGQ-OAQYLSRUSA-N 1 1 461.699 2.686 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295336815 1063260955 /nfs/dbraw/zinc/26/09/55/1063260955.db2.gz WTSXKTRXNMGCAD-QFIPXVFZSA-N 1 1 467.662 2.728 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295338402 1063266050 /nfs/dbraw/zinc/26/60/50/1063266050.db2.gz ODSLUOKUVQEDLT-FCHUYYIVSA-N 1 1 475.726 2.978 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001295345394 1063283482 /nfs/dbraw/zinc/28/34/82/1063283482.db2.gz CPDXNHYXJVPONC-NRFANRHFSA-N 1 1 469.634 2.558 20 0 JFADMO CC1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291186040 1063288044 /nfs/dbraw/zinc/28/80/44/1063288044.db2.gz XFRWZIOAEWHOKC-PWRODBHTSA-N 1 1 481.707 2.942 20 0 JFADMO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290081 /nfs/dbraw/zinc/29/00/81/1063290081.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 1 1 492.709 2.605 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295348903 1063292124 /nfs/dbraw/zinc/29/21/24/1063292124.db2.gz RHBAFHFTIBGTFO-HHHXNRCGSA-N 1 1 497.688 2.893 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291186744 1063292477 /nfs/dbraw/zinc/29/24/77/1063292477.db2.gz JOCYTFLGPGUBJK-RZUBCFFCSA-N 1 1 490.693 2.755 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001295350563 1063295710 /nfs/dbraw/zinc/29/57/10/1063295710.db2.gz FFVBHFIEVHBPAB-QFIPXVFZSA-N 1 1 475.682 2.756 20 0 JFADMO C[C@@H]1CN(CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295865 /nfs/dbraw/zinc/29/58/65/1063295865.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 1 1 462.683 2.979 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187626 1063296635 /nfs/dbraw/zinc/29/66/35/1063296635.db2.gz WWVXPCKYISIOHW-BDTNDASRSA-N 1 1 490.693 2.755 20 0 JFADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001291187686 1063297498 /nfs/dbraw/zinc/29/74/98/1063297498.db2.gz YAPBSPJSETUHRR-ROUUACIJSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291188161 1063300776 /nfs/dbraw/zinc/30/07/76/1063300776.db2.gz GIBPIVWRKASACG-GBESFXJTSA-N 1 1 472.609 2.563 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001291188493 1063304082 /nfs/dbraw/zinc/30/40/82/1063304082.db2.gz LEWZQAXKPUMPLG-QRVBRYPASA-N 1 1 488.608 2.551 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291188821 1063305427 /nfs/dbraw/zinc/30/54/27/1063305427.db2.gz RCMSYIIBPKGYCN-KDURUIRLSA-N 1 1 450.672 2.963 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291189235 1063307453 /nfs/dbraw/zinc/30/74/53/1063307453.db2.gz XRLLQTLRKGXNKO-BGYRXZFFSA-N 1 1 468.646 2.653 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291189054 1063307576 /nfs/dbraw/zinc/30/75/76/1063307576.db2.gz VCJJDWAOKZZZPA-ZVDOUQERSA-N 1 1 486.636 2.988 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291189258 1063308336 /nfs/dbraw/zinc/30/83/36/1063308336.db2.gz YHNPTSBLJRCLSN-BGYRXZFFSA-N 1 1 476.666 2.541 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295355555 1063309470 /nfs/dbraw/zinc/30/94/70/1063309470.db2.gz NBCKSCSBPZYGMF-FCHUYYIVSA-N 1 1 475.682 2.734 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001295358401 1063315269 /nfs/dbraw/zinc/31/52/69/1063315269.db2.gz JNGQTGZKAYQQST-QFIPXVFZSA-N 1 1 467.662 2.875 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001295364737 1063326627 /nfs/dbraw/zinc/32/66/27/1063326627.db2.gz HHLQMJIUZHSXLE-PMACEKPBSA-N 1 1 472.634 2.604 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295366162 1063329410 /nfs/dbraw/zinc/32/94/10/1063329410.db2.gz NFSMQCUMCIHMTN-RBUKOAKNSA-N 1 1 462.664 2.609 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001295373609 1063341419 /nfs/dbraw/zinc/34/14/19/1063341419.db2.gz QJXMRFHAMPUBAF-VXKWHMMOSA-N 1 1 455.651 2.927 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205149 1063362487 /nfs/dbraw/zinc/36/24/87/1063362487.db2.gz FLHIOZQXNDVAHH-HUUCEWRRSA-N 1 1 487.095 2.962 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206455 1063368671 /nfs/dbraw/zinc/36/86/71/1063368671.db2.gz WWUYSIXGHIGSCJ-MSOLQXFVSA-N 1 1 496.628 2.991 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291206478 1063369449 /nfs/dbraw/zinc/36/94/49/1063369449.db2.gz XALISGXRSNBXAQ-MSOLQXFVSA-N 1 1 454.685 2.881 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCOc1ccccc1 ZINC001291208308 1063378706 /nfs/dbraw/zinc/37/87/06/1063378706.db2.gz VVOQBOQPVKUZKA-VQTJNVASSA-N 1 1 490.674 2.668 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291209808 1063385403 /nfs/dbraw/zinc/38/54/03/1063385403.db2.gz RNEQDUMCOLKGKF-DYXWJJEUSA-N 1 1 488.608 2.725 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC001295403691 1063389001 /nfs/dbraw/zinc/38/90/01/1063389001.db2.gz YMSGRQDISROROT-PKOBYXMFSA-N 1 1 460.604 2.963 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291210899 1063390892 /nfs/dbraw/zinc/39/08/92/1063390892.db2.gz KMKRKLRIUHXYTA-BXUZGUMPSA-N 1 1 463.302 2.755 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC001295406185 1063395758 /nfs/dbraw/zinc/39/57/58/1063395758.db2.gz VWCYDMLVBJRGKE-WMZHIEFXSA-N 1 1 479.647 2.564 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291212046 1063398296 /nfs/dbraw/zinc/39/82/96/1063398296.db2.gz HCHKTZOFNPFHPZ-GJZGRUSLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291212046 1063398318 /nfs/dbraw/zinc/39/83/18/1063398318.db2.gz HCHKTZOFNPFHPZ-GJZGRUSLSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291213902 1063409454 /nfs/dbraw/zinc/40/94/54/1063409454.db2.gz MUZBCDVUSPFIIT-RTBURBONSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001291222115 1063457199 /nfs/dbraw/zinc/45/71/99/1063457199.db2.gz IRILKZNCWPBFAD-UONOGXRCSA-N 1 1 479.398 2.996 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001295471944 1063476928 /nfs/dbraw/zinc/47/69/28/1063476928.db2.gz HHRAHSSFSDFEGB-LEWJYISDSA-N 1 1 480.723 2.611 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229786 1063482304 /nfs/dbraw/zinc/48/23/04/1063482304.db2.gz OFOIDIPLYNREMO-FUHWJXTLSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229786 1063482314 /nfs/dbraw/zinc/48/23/14/1063482314.db2.gz OFOIDIPLYNREMO-FUHWJXTLSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229786 1063482323 /nfs/dbraw/zinc/48/23/23/1063482323.db2.gz OFOIDIPLYNREMO-FUHWJXTLSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230727 1063484962 /nfs/dbraw/zinc/48/49/62/1063484962.db2.gz HXECBTYTYONQLA-PMACEKPBSA-N 1 1 487.649 2.576 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232447 1063490988 /nfs/dbraw/zinc/49/09/88/1063490988.db2.gz MTWDXANWKKTGMB-UYAOXDASSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232447 1063491001 /nfs/dbraw/zinc/49/10/01/1063491001.db2.gz MTWDXANWKKTGMB-UYAOXDASSA-N 1 1 485.633 2.800 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237465 1063503022 /nfs/dbraw/zinc/50/30/22/1063503022.db2.gz XNWMFDIHLKHAAD-WMZOPIPTSA-N 1 1 466.556 2.928 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237737 1063504140 /nfs/dbraw/zinc/50/41/40/1063504140.db2.gz CJQITTLOAWRVEK-LMMKCTJWSA-N 1 1 456.595 2.569 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@H+](C2CCC2)C1 ZINC001291240859 1063510734 /nfs/dbraw/zinc/51/07/34/1063510734.db2.gz GYGPQMWEELCWBF-JSGCOSHPSA-N 1 1 461.355 2.528 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291249357 1063525788 /nfs/dbraw/zinc/52/57/88/1063525788.db2.gz DIFYPJGFEWCVAJ-MOPGFXCFSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250391 1063528972 /nfs/dbraw/zinc/52/89/72/1063528972.db2.gz SCIUXPIXQLCOPQ-VQTJNVASSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250391 1063528985 /nfs/dbraw/zinc/52/89/85/1063528985.db2.gz SCIUXPIXQLCOPQ-VQTJNVASSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250390 1063529074 /nfs/dbraw/zinc/52/90/74/1063529074.db2.gz SCIUXPIXQLCOPQ-UXHICEINSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250390 1063529093 /nfs/dbraw/zinc/52/90/93/1063529093.db2.gz SCIUXPIXQLCOPQ-UXHICEINSA-N 1 1 492.665 2.729 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001291253147 1063535228 /nfs/dbraw/zinc/53/52/28/1063535228.db2.gz DSTMRLGBPMIMJN-UYAOXDASSA-N 1 1 461.632 2.698 20 0 JFADMO CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[NH+](CC)CC)C[C@@H]1C ZINC001295502330 1063536459 /nfs/dbraw/zinc/53/64/59/1063536459.db2.gz CVPLHUYUJRRICF-NRFANRHFSA-N 1 1 467.662 2.821 20 0 JFADMO CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291258455 1063550982 /nfs/dbraw/zinc/55/09/82/1063550982.db2.gz BQGUSVFYXVEYQE-SFHVURJKSA-N 1 1 454.685 2.505 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291265139 1063565310 /nfs/dbraw/zinc/56/53/10/1063565310.db2.gz OXCBSEDQJABUQF-ICSRJNTNSA-N 1 1 457.623 2.954 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCSC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291265354 1063566215 /nfs/dbraw/zinc/56/62/15/1063566215.db2.gz SFRMUWYAJQUUGJ-RDJZCZTQSA-N 1 1 456.538 2.674 20 0 JFADMO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275765 1063584500 /nfs/dbraw/zinc/58/45/00/1063584500.db2.gz YVOGMUOZLLWWMZ-GGAORHGYSA-N 1 1 468.646 2.621 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001291280296 1063602529 /nfs/dbraw/zinc/60/25/29/1063602529.db2.gz DCYHWJPPUJACEU-ICSRJNTNSA-N 1 1 464.010 2.973 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCC[C@H]1C ZINC001295582714 1063625795 /nfs/dbraw/zinc/62/57/95/1063625795.db2.gz CNHNAECPZDKXGG-LJQANCHMSA-N 1 1 464.618 2.891 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285322 1063626041 /nfs/dbraw/zinc/62/60/41/1063626041.db2.gz OXSCKSAYFJHBRA-DXBBTUNJSA-N 1 1 490.693 2.755 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291285962 1063629354 /nfs/dbraw/zinc/62/93/54/1063629354.db2.gz ADQZNCYBKKEQHS-RBUKOAKNSA-N 1 1 490.674 2.536 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291285962 1063629360 /nfs/dbraw/zinc/62/93/60/1063629360.db2.gz ADQZNCYBKKEQHS-RBUKOAKNSA-N 1 1 490.674 2.536 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295588488 1063633142 /nfs/dbraw/zinc/63/31/42/1063633142.db2.gz HLWWRINOJQAEAN-NVXWUHKLSA-N 1 1 467.039 2.939 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595931 1063640838 /nfs/dbraw/zinc/64/08/38/1063640838.db2.gz VZQWKQRONJCHQD-RBBKRZOGSA-N 1 1 472.609 2.890 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC001291287639 1063641379 /nfs/dbraw/zinc/64/13/79/1063641379.db2.gz FXGRXGRSBJOHIO-PKOBYXMFSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287915 1063644255 /nfs/dbraw/zinc/64/42/55/1063644255.db2.gz JXTLPIHQPINQSU-RDGPPVDQSA-N 1 1 491.036 2.882 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC001291288118 1063646492 /nfs/dbraw/zinc/64/64/92/1063646492.db2.gz NGMSYKCDYSTNFP-BXKMTCNYSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288150 1063646587 /nfs/dbraw/zinc/64/65/87/1063646587.db2.gz NTGWHTNDJQXWIL-SEDAZVQISA-N 1 1 494.706 2.714 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288724 1063651361 /nfs/dbraw/zinc/65/13/61/1063651361.db2.gz XTZIBOUMBURIJV-MJGOQNOKSA-N 1 1 480.535 2.561 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288723 1063651526 /nfs/dbraw/zinc/65/15/26/1063651526.db2.gz XTZIBOUMBURIJV-IEBWSBKVSA-N 1 1 480.535 2.561 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC001291289401 1063656327 /nfs/dbraw/zinc/65/63/27/1063656327.db2.gz JAOJLLBKRFGLQF-QZTJIDSGSA-N 1 1 476.025 2.586 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC001291289402 1063656431 /nfs/dbraw/zinc/65/64/31/1063656431.db2.gz JAOJLLBKRFGLQF-ROUUACIJSA-N 1 1 476.025 2.586 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291261 1063668274 /nfs/dbraw/zinc/66/82/74/1063668274.db2.gz MHZGZFRMHXJYOX-KAOXLYBCSA-N 1 1 490.693 2.660 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001291291320 1063669163 /nfs/dbraw/zinc/66/91/63/1063669163.db2.gz NCEVPQXFHRIROC-FUHIMQAGSA-N 1 1 492.571 2.966 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291754 1063670885 /nfs/dbraw/zinc/67/08/85/1063670885.db2.gz UFRRBFIYCAFKNQ-NJDAHSKKSA-N 1 1 492.665 2.776 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc(-c2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295625930 1063671346 /nfs/dbraw/zinc/67/13/46/1063671346.db2.gz TUTQBSWRJAACTE-UHFFFAOYSA-N 1 1 451.550 2.670 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291788 1063671895 /nfs/dbraw/zinc/67/18/95/1063671895.db2.gz UYFRDQOPGVFOJF-FPOVZHCZSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292081 1063673506 /nfs/dbraw/zinc/67/35/06/1063673506.db2.gz YQFQZSZZRHJFFT-MOPGFXCFSA-N 1 1 474.572 2.705 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675966 /nfs/dbraw/zinc/67/59/66/1063675966.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 1 1 486.709 2.812 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675975 /nfs/dbraw/zinc/67/59/75/1063675975.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 1 1 486.709 2.812 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292586 1063676938 /nfs/dbraw/zinc/67/69/38/1063676938.db2.gz GOJUDUQQXWMBTA-XPWALMASSA-N 1 1 497.688 2.752 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292588 1063677046 /nfs/dbraw/zinc/67/70/46/1063677046.db2.gz GOJUDUQQXWMBTA-ZRBLBEILSA-N 1 1 497.688 2.752 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291292765 1063678249 /nfs/dbraw/zinc/67/82/49/1063678249.db2.gz JHDLMIULCRJQJC-GBESFXJTSA-N 1 1 491.036 2.677 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292739 1063678377 /nfs/dbraw/zinc/67/83/77/1063678377.db2.gz ISALJYWFJBFCLG-FUPPJEDESA-N 1 1 483.661 2.504 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001295635033 1063678345 /nfs/dbraw/zinc/67/83/45/1063678345.db2.gz BYLXCUIAZNEUDI-WMZOPIPTSA-N 1 1 466.677 2.993 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCSC2)C[C@H](C)O1 ZINC001291292913 1063680142 /nfs/dbraw/zinc/68/01/42/1063680142.db2.gz LTQHUYMOONODAE-KSZLIROESA-N 1 1 478.688 2.711 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001291293555 1063685361 /nfs/dbraw/zinc/68/53/61/1063685361.db2.gz WHJKBJDOGZIWHR-ZJPYXAASSA-N 1 1 472.556 2.534 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291293786 1063686184 /nfs/dbraw/zinc/68/61/84/1063686184.db2.gz ZLYVKSZXIFAXJX-YADHBBJMSA-N 1 1 468.646 2.621 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295649940 1063692509 /nfs/dbraw/zinc/69/25/09/1063692509.db2.gz IVCXTTBUVVKPEW-HNNXBMFYSA-N 1 1 477.411 2.516 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295455 1063695748 /nfs/dbraw/zinc/69/57/48/1063695748.db2.gz ZHPYQDWSFFNVKW-QUCCMNQESA-N 1 1 490.674 2.683 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295456 1063695818 /nfs/dbraw/zinc/69/58/18/1063695818.db2.gz ZHPYQDWSFFNVKW-UYAOXDASSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295468 1063695839 /nfs/dbraw/zinc/69/58/39/1063695839.db2.gz ZJMPDYFRZQONED-SJORKVTESA-N 1 1 464.408 2.780 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCCN(C)CC(F)(F)F ZINC001291297389 1063698605 /nfs/dbraw/zinc/69/86/05/1063698605.db2.gz YTVWNKAFFAAQSK-HKUYNNGSSA-N 1 1 451.541 2.821 20 0 JFADMO C[C@@H]1COCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291297794 1063701085 /nfs/dbraw/zinc/70/10/85/1063701085.db2.gz CWVPYVFNXRSRHU-IRLDBZIGSA-N 1 1 456.635 2.731 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001295659493 1063701074 /nfs/dbraw/zinc/70/10/74/1063701074.db2.gz DQDJPHRSDRVZKA-FQEVSTJZSA-N 1 1 452.607 2.909 20 0 JFADMO C[C@@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001291305271 1063715864 /nfs/dbraw/zinc/71/58/64/1063715864.db2.gz ZWTOMALXPSZLHL-QUCCMNQESA-N 1 1 478.638 2.686 20 0 JFADMO CCN(CC1CC1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001295680064 1063717307 /nfs/dbraw/zinc/71/73/07/1063717307.db2.gz WMYJAHBETXVPMN-HXUWFJFHSA-N 1 1 460.648 2.916 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)F)CC1 ZINC001291306572 1063718484 /nfs/dbraw/zinc/71/84/84/1063718484.db2.gz BMMHVVQARRYADG-MRXNPFEDSA-N 1 1 499.404 2.815 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccc2Br)nnc1N1CCN(CC(F)F)CC1 ZINC001291306572 1063718502 /nfs/dbraw/zinc/71/85/02/1063718502.db2.gz BMMHVVQARRYADG-MRXNPFEDSA-N 1 1 499.404 2.815 20 0 JFADMO C[C@H]1N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1(C)C ZINC001291307468 1063723856 /nfs/dbraw/zinc/72/38/56/1063723856.db2.gz UOPFOIONGJGALO-LSDHHAIUSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@H]1N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1(C)C ZINC001291307468 1063723868 /nfs/dbraw/zinc/72/38/68/1063723868.db2.gz UOPFOIONGJGALO-LSDHHAIUSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 ZINC001291307587 1063724264 /nfs/dbraw/zinc/72/42/64/1063724264.db2.gz XBCBZYRKQPQWPS-HNNXBMFYSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1ccco1 ZINC001291307587 1063724272 /nfs/dbraw/zinc/72/42/72/1063724272.db2.gz XBCBZYRKQPQWPS-HNNXBMFYSA-N 1 1 463.380 2.996 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291307596 1063724370 /nfs/dbraw/zinc/72/43/70/1063724370.db2.gz XFHGHRQPFNKUKJ-LSDHHAIUSA-N 1 1 467.401 2.640 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291307596 1063724379 /nfs/dbraw/zinc/72/43/79/1063724379.db2.gz XFHGHRQPFNKUKJ-LSDHHAIUSA-N 1 1 467.401 2.640 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308097 1063727091 /nfs/dbraw/zinc/72/70/91/1063727091.db2.gz HOFAQXWWQSEIGF-RBUKOAKNSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308097 1063727107 /nfs/dbraw/zinc/72/71/07/1063727107.db2.gz HOFAQXWWQSEIGF-RBUKOAKNSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308483 1063729441 /nfs/dbraw/zinc/72/94/41/1063729441.db2.gz NYOFFHALCAAODP-PZJWPPBQSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308483 1063729451 /nfs/dbraw/zinc/72/94/51/1063729451.db2.gz NYOFFHALCAAODP-PZJWPPBQSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731301 /nfs/dbraw/zinc/73/13/01/1063731301.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 1 1 497.732 2.841 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295723867 1063739812 /nfs/dbraw/zinc/73/98/12/1063739812.db2.gz WZVISPWBWKIVNU-NVXWUHKLSA-N 1 1 467.412 2.762 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295723871 1063739836 /nfs/dbraw/zinc/73/98/36/1063739836.db2.gz WZVISPWBWKIVNU-WBVHZDCISA-N 1 1 467.412 2.762 20 0 JFADMO C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291314328 1063746671 /nfs/dbraw/zinc/74/66/71/1063746671.db2.gz ZAYLSJPZSSATPE-PKOBYXMFSA-N 1 1 462.689 2.815 20 0 JFADMO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001295741216 1063749179 /nfs/dbraw/zinc/74/91/79/1063749179.db2.gz XYWWQPVIEWUSPU-ZRBLBEILSA-N 1 1 457.615 2.745 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@H]1C ZINC001295743700 1063750961 /nfs/dbraw/zinc/75/09/61/1063750961.db2.gz XCKVDWNUTOCEBX-APWZRJJASA-N 1 1 451.539 2.530 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C[C@H]1C ZINC001295743700 1063750975 /nfs/dbraw/zinc/75/09/75/1063750975.db2.gz XCKVDWNUTOCEBX-APWZRJJASA-N 1 1 451.539 2.530 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291320841 1063760892 /nfs/dbraw/zinc/76/08/92/1063760892.db2.gz BIBWANWBPOOHNH-VFNWGFHPSA-N 1 1 481.439 2.886 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291321043 1063761786 /nfs/dbraw/zinc/76/17/86/1063761786.db2.gz DWIITWKCTPGOOG-BXKMTCNYSA-N 1 1 495.571 2.633 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291321043 1063761792 /nfs/dbraw/zinc/76/17/92/1063761792.db2.gz DWIITWKCTPGOOG-BXKMTCNYSA-N 1 1 495.571 2.633 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295758740 1063762811 /nfs/dbraw/zinc/76/28/11/1063762811.db2.gz AFDVZJAADNGNKY-RDPSFJRHSA-N 1 1 494.606 2.954 20 0 JFADMO CCN(CC1CCN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001295763818 1063769950 /nfs/dbraw/zinc/76/99/50/1063769950.db2.gz PWGJLVSYDJIOAB-DEOSSOPVSA-N 1 1 462.639 2.696 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291323562 1063770039 /nfs/dbraw/zinc/77/00/39/1063770039.db2.gz MGCMRMRMPXBGPC-NLFFAJNJSA-N 1 1 457.619 2.608 20 0 JFADMO CCN(CCCn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC001295805615 1063795396 /nfs/dbraw/zinc/79/53/96/1063795396.db2.gz BRPBNWZJEZXSKU-UHFFFAOYSA-N 1 1 462.664 2.785 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C1 ZINC001291336322 1063799353 /nfs/dbraw/zinc/79/93/53/1063799353.db2.gz GLAUAGXTPKOSKJ-LJQANCHMSA-N 1 1 493.450 2.781 20 0 JFADMO CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)S(C)(=O)=O ZINC001295809695 1063803717 /nfs/dbraw/zinc/80/37/17/1063803717.db2.gz HDWIFGMUVOZUQQ-HXUWFJFHSA-N 1 1 485.658 2.656 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc[nH+]c2C)C1 ZINC001291337184 1063803834 /nfs/dbraw/zinc/80/38/34/1063803834.db2.gz VTUGSALGHNYDTQ-QGZVFWFLSA-N 1 1 489.422 2.746 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](C)CCOC)C1 ZINC001291339283 1063811815 /nfs/dbraw/zinc/81/18/15/1063811815.db2.gz KXTXPTVVHCVYFK-FQEVSTJZSA-N 1 1 465.602 2.567 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001291341011 1063819413 /nfs/dbraw/zinc/81/94/13/1063819413.db2.gz VTBBVULSOCMGLD-PMACEKPBSA-N 1 1 454.623 2.598 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001295816409 1063821718 /nfs/dbraw/zinc/82/17/18/1063821718.db2.gz WDPQOBCJUCTQKL-FQEVSTJZSA-N 1 1 475.682 2.623 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1)C(C)C ZINC001295819045 1063823590 /nfs/dbraw/zinc/82/35/90/1063823590.db2.gz GMIPVMYSUPPUHO-FPOVZHCZSA-N 1 1 462.664 2.921 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1)C(C)C ZINC001295820325 1063824896 /nfs/dbraw/zinc/82/48/96/1063824896.db2.gz CGEPHFVMLLKUIK-IBGZPJMESA-N 1 1 479.585 2.932 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1)C(C)C ZINC001295820326 1063825420 /nfs/dbraw/zinc/82/54/20/1063825420.db2.gz CGEPHFVMLLKUIK-LJQANCHMSA-N 1 1 479.585 2.932 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2)C(C)C ZINC001295820617 1063826136 /nfs/dbraw/zinc/82/61/36/1063826136.db2.gz FWMNTRHWWDVRLO-UHFFFAOYSA-N 1 1 471.606 2.778 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295822342 1063828512 /nfs/dbraw/zinc/82/85/12/1063828512.db2.gz ZGUYYZJNZZZMKG-SFHVURJKSA-N 1 1 465.643 2.640 20 0 JFADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC)CCC(F)(F)F ZINC001295823880 1063830341 /nfs/dbraw/zinc/83/03/41/1063830341.db2.gz WATNQLONKVMEJS-UHFFFAOYSA-N 1 1 477.557 2.819 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291344456 1063833123 /nfs/dbraw/zinc/83/31/23/1063833123.db2.gz CVUFFQTWLZUFCA-FGZHOGPDSA-N 1 1 489.064 2.864 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(C)=O)CC1)C(C)C ZINC001295825252 1063833581 /nfs/dbraw/zinc/83/35/81/1063833581.db2.gz SESAQPLIQNELLJ-UHFFFAOYSA-N 1 1 450.534 2.945 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1)C1CC1 ZINC001295825170 1063833662 /nfs/dbraw/zinc/83/36/62/1063833662.db2.gz PBMCQTZSYSGSGW-UHFFFAOYSA-N 1 1 461.632 2.696 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(=O)NC)C1)C1CC1 ZINC001295825517 1063834800 /nfs/dbraw/zinc/83/48/00/1063834800.db2.gz YCAXPLRYZCNVKO-QGZVFWFLSA-N 1 1 462.545 2.993 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344818 1063834759 /nfs/dbraw/zinc/83/47/59/1063834759.db2.gz LLUZLXILXFTIBY-GGAORHGYSA-N 1 1 486.636 2.860 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344875 1063835178 /nfs/dbraw/zinc/83/51/78/1063835178.db2.gz MEQKSDFDVZSBNT-DHIUTWEWSA-N 1 1 498.672 2.729 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001291344969 1063835782 /nfs/dbraw/zinc/83/57/82/1063835782.db2.gz NTMGBXBYIBASCR-NFBKMPQASA-N 1 1 485.652 2.529 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C ZINC001295829033 1063840213 /nfs/dbraw/zinc/84/02/13/1063840213.db2.gz FDBGOVPMPYDXGY-UHFFFAOYSA-N 1 1 490.052 2.903 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291345638 1063840415 /nfs/dbraw/zinc/84/04/15/1063840415.db2.gz AYWWCVQGXUJMLX-OAQYLSRUSA-N 1 1 452.603 2.657 20 0 JFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H]1C ZINC001295829591 1063841724 /nfs/dbraw/zinc/84/17/24/1063841724.db2.gz SUOWQJCPHSMPGC-CABCVRRESA-N 1 1 457.556 2.624 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)CCC(F)(F)F ZINC001295829628 1063842240 /nfs/dbraw/zinc/84/22/40/1063842240.db2.gz JALLTETYYSVROT-AWEZNQCLSA-N 1 1 473.931 2.935 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)C(C)C ZINC001295829689 1063842368 /nfs/dbraw/zinc/84/23/68/1063842368.db2.gz JLJKEEAYEPOMLX-SFHVURJKSA-N 1 1 474.606 2.970 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001291346110 1063843482 /nfs/dbraw/zinc/84/34/82/1063843482.db2.gz KBOPBKDWPWNUDB-YADHBBJMSA-N 1 1 468.646 2.909 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1)C(C)C ZINC001295831175 1063846017 /nfs/dbraw/zinc/84/60/17/1063846017.db2.gz VBJXTTJZVVWCPX-RXVVDRJESA-N 1 1 453.595 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295834112 1063850136 /nfs/dbraw/zinc/85/01/36/1063850136.db2.gz QHVWBKLEBYSTAT-LJQANCHMSA-N 1 1 477.631 2.808 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)CCC(F)(F)F ZINC001295835492 1063852038 /nfs/dbraw/zinc/85/20/38/1063852038.db2.gz FLSGOJZFJXTDMG-GOSISDBHSA-N 1 1 467.540 2.919 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)CCC(F)(F)F ZINC001295836168 1063852758 /nfs/dbraw/zinc/85/27/58/1063852758.db2.gz OYSAPXXWNUDOCR-HNNXBMFYSA-N 1 1 469.487 2.572 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295837192 1063854556 /nfs/dbraw/zinc/85/45/56/1063854556.db2.gz JCLOAWCKEBUUBA-KRWDZBQOSA-N 1 1 455.529 2.663 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291348838 1063854952 /nfs/dbraw/zinc/85/49/52/1063854952.db2.gz YHIJHAGZLFAVHN-IIZPIQPGSA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838640 1063857147 /nfs/dbraw/zinc/85/71/47/1063857147.db2.gz KXAAZCVSXONHAN-RTBURBONSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838637 1063857255 /nfs/dbraw/zinc/85/72/55/1063857255.db2.gz KXAAZCVSXONHAN-MOPGFXCFSA-N 1 1 468.524 2.999 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295838630 1063857408 /nfs/dbraw/zinc/85/74/08/1063857408.db2.gz KNOSTRHYNGZEBT-VQIMIIECSA-N 1 1 458.611 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)C(C)=O)CC1)CCC(F)(F)F ZINC001295839103 1063857982 /nfs/dbraw/zinc/85/79/82/1063857982.db2.gz QUTKNPMDTMDBFL-UHFFFAOYSA-N 1 1 455.529 2.995 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)C(C)C ZINC001295841416 1063859868 /nfs/dbraw/zinc/85/98/68/1063859868.db2.gz FGLXJASUJTZLAO-UHFFFAOYSA-N 1 1 460.627 2.714 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](COC)C1)C(C)C ZINC001295842296 1063862089 /nfs/dbraw/zinc/86/20/89/1063862089.db2.gz UYYRMHYKVAHPGP-JOCHJYFZSA-N 1 1 453.591 2.713 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2)CCC(F)(F)F ZINC001295844906 1063865070 /nfs/dbraw/zinc/86/50/70/1063865070.db2.gz GRSVUJZSIYWUBR-QGZVFWFLSA-N 1 1 488.555 2.625 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1)CCC(F)(F)F ZINC001295845152 1063865885 /nfs/dbraw/zinc/86/58/85/1063865885.db2.gz JRYCXZJQJURLJW-QZTJIDSGSA-N 1 1 472.556 2.899 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001295845279 1063866611 /nfs/dbraw/zinc/86/66/11/1063866611.db2.gz LLNLUFANPFCMKX-NRFANRHFSA-N 1 1 473.666 2.625 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001295845616 1063867239 /nfs/dbraw/zinc/86/72/39/1063867239.db2.gz QUFNQFNKBMHROV-FGZHOGPDSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)C(C)C ZINC001295845410 1063867259 /nfs/dbraw/zinc/86/72/59/1063867259.db2.gz KODSVUGWMLSHAH-OAQYLSRUSA-N 1 1 468.650 2.961 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1)C(C)C ZINC001295846851 1063868705 /nfs/dbraw/zinc/86/87/05/1063868705.db2.gz ZGRJWAZMJMWQHC-HSZRJFAPSA-N 1 1 495.672 2.801 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001291359552 1063868832 /nfs/dbraw/zinc/86/88/32/1063868832.db2.gz JECBYJFUAKUCNY-CPJSRVTESA-N 1 1 463.586 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001295846510 1063869021 /nfs/dbraw/zinc/86/90/21/1063869021.db2.gz VYYKZXHXLSZPGB-AUSIDOKSSA-N 1 1 494.562 2.910 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295846896 1063869359 /nfs/dbraw/zinc/86/93/59/1063869359.db2.gz ZNVLVXJITPKFGT-OTWHNJEPSA-N 1 1 477.654 2.699 20 0 JFADMO CC[N@@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCOCC1)CCC(F)(F)F ZINC001295847012 1063869374 /nfs/dbraw/zinc/86/93/74/1063869374.db2.gz WXJTYJVXYRMLIZ-UHFFFAOYSA-N 1 1 493.534 2.693 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291360366 1063870571 /nfs/dbraw/zinc/87/05/71/1063870571.db2.gz UKKWNCPDJSYQQJ-CVDCTZTESA-N 1 1 461.010 2.697 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2ccnn2)CC1)CCC(F)(F)F ZINC001295847770 1063870914 /nfs/dbraw/zinc/87/09/14/1063870914.db2.gz DPYUVDANPGNWTI-LJQANCHMSA-N 1 1 484.571 2.955 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001291360524 1063871741 /nfs/dbraw/zinc/87/17/41/1063871741.db2.gz WSLPUTLYBOURIB-SANMLTNESA-N 1 1 493.612 2.726 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291361163 1063873541 /nfs/dbraw/zinc/87/35/41/1063873541.db2.gz HTWISLOVYKZARD-OXQOHEQNSA-N 1 1 451.413 2.882 20 0 JFADMO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001295852849 1063877925 /nfs/dbraw/zinc/87/79/25/1063877925.db2.gz PZBIQJFXIKFGFK-BFUOFWGJSA-N 1 1 457.930 2.997 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)C(C)C ZINC001295853135 1063879012 /nfs/dbraw/zinc/87/90/12/1063879012.db2.gz NZGZUSRPEBXYTM-OAQYLSRUSA-N 1 1 454.619 2.911 20 0 JFADMO CC[N@@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1)C(C)C ZINC001295853217 1063879674 /nfs/dbraw/zinc/87/96/74/1063879674.db2.gz PKCLWQTUAZZSAY-UHFFFAOYSA-N 1 1 491.635 2.570 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882029 /nfs/dbraw/zinc/88/20/29/1063882029.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 1 1 484.542 2.803 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291365168 1063885276 /nfs/dbraw/zinc/88/52/76/1063885276.db2.gz DPEDCMFEZKJASQ-RHGYRFJNSA-N 1 1 461.607 2.669 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291365168 1063885291 /nfs/dbraw/zinc/88/52/91/1063885291.db2.gz DPEDCMFEZKJASQ-RHGYRFJNSA-N 1 1 461.607 2.669 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291365292 1063885863 /nfs/dbraw/zinc/88/58/63/1063885863.db2.gz GPCHVCYHCLJHGC-BVZFJXPGSA-N 1 1 473.618 2.813 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCNC(=O)CC1)CCC(F)(F)F ZINC001295858611 1063888965 /nfs/dbraw/zinc/88/89/65/1063888965.db2.gz ADBRUWKCSSUVGW-UHFFFAOYSA-N 1 1 456.488 2.609 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001295858500 1063889003 /nfs/dbraw/zinc/88/90/03/1063889003.db2.gz ZBXVAZBRVHCFMS-GBXCKJPGSA-N 1 1 475.659 2.663 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291366550 1063890528 /nfs/dbraw/zinc/89/05/28/1063890528.db2.gz CELYVJPLZDADDB-VNZMSGEBSA-N 1 1 452.607 2.754 20 0 JFADMO CCN(CCn1c(Cc2ccncc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295860520 1063891853 /nfs/dbraw/zinc/89/18/53/1063891853.db2.gz CQQVPIZGDAQDST-SANMLTNESA-N 1 1 499.660 2.822 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291368108 1063893257 /nfs/dbraw/zinc/89/32/57/1063893257.db2.gz HSOQCBYGLKLMKD-VWLOTQADSA-N 1 1 468.602 2.654 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1)CCC(F)(F)F ZINC001295861971 1063894629 /nfs/dbraw/zinc/89/46/29/1063894629.db2.gz JCCVBAXVKSBYDZ-MRXNPFEDSA-N 1 1 477.535 2.936 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1)C1CC1 ZINC001295865182 1063896102 /nfs/dbraw/zinc/89/61/02/1063896102.db2.gz DMEFVQPPTLEPKF-KRWDZBQOSA-N 1 1 461.010 2.957 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccco2)C1)CCC(F)(F)F ZINC001295865429 1063897012 /nfs/dbraw/zinc/89/70/12/1063897012.db2.gz CPNXYZTVTDJXIP-GOSISDBHSA-N 1 1 484.523 2.846 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2CCOC[C@H]2C1)C(C)C ZINC001295865478 1063897895 /nfs/dbraw/zinc/89/78/95/1063897895.db2.gz LDPPUSYKTNWWSJ-JOCHJYFZSA-N 1 1 456.635 2.725 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291371879 1063898606 /nfs/dbraw/zinc/89/86/06/1063898606.db2.gz SLBBKRNKTGZAPJ-WTMJVXIESA-N 1 1 459.639 2.934 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1)CCC(F)(F)F ZINC001295867614 1063902568 /nfs/dbraw/zinc/90/25/68/1063902568.db2.gz WOPDNZXDYJTYPW-SFHVURJKSA-N 1 1 486.583 2.806 20 0 JFADMO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001295867556 1063902759 /nfs/dbraw/zinc/90/27/59/1063902759.db2.gz VIISKUVMIPHRBQ-MOPGFXCFSA-N 1 1 477.654 2.576 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291374204 1063902801 /nfs/dbraw/zinc/90/28/01/1063902801.db2.gz FOIDFKSCUIEBQX-VWLOTQADSA-N 1 1 450.587 2.626 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1)C(C)C ZINC001295869504 1063907037 /nfs/dbraw/zinc/90/70/37/1063907037.db2.gz PCNOYZZHZRZSHE-HSZRJFAPSA-N 1 1 484.645 2.760 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291379619 1063914968 /nfs/dbraw/zinc/91/49/68/1063914968.db2.gz BTDODNJZBXLLAS-UAKAABGRSA-N 1 1 462.639 2.884 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001295878856 1063921442 /nfs/dbraw/zinc/92/14/42/1063921442.db2.gz SQJWEUNLMZXUIL-MRXNPFEDSA-N 1 1 463.007 2.929 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC001295888244 1063937458 /nfs/dbraw/zinc/93/74/58/1063937458.db2.gz IBZBJRRYRJXTIC-HXUWFJFHSA-N 1 1 467.618 2.570 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291388983 1063938337 /nfs/dbraw/zinc/93/83/37/1063938337.db2.gz GEIBYMCFPDUFIR-FBRPZDKASA-N 1 1 487.645 2.916 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001291390311 1063940809 /nfs/dbraw/zinc/94/08/09/1063940809.db2.gz WBGKNDJEXAQYBM-PFDCSPEHSA-N 1 1 468.646 2.731 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291394508 1063948735 /nfs/dbraw/zinc/94/87/35/1063948735.db2.gz YXVIKLPMMKRWBI-HFJWLAOPSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291394508 1063948739 /nfs/dbraw/zinc/94/87/39/1063948739.db2.gz YXVIKLPMMKRWBI-HFJWLAOPSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001291398311 1063956065 /nfs/dbraw/zinc/95/60/65/1063956065.db2.gz WNFOKSUYLWMNPK-AJGMTHFWSA-N 1 1 494.681 2.914 20 0 JFADMO CCn1cccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[NH+](CCOC)CC2)c1=O ZINC001295938231 1063988743 /nfs/dbraw/zinc/98/87/43/1063988743.db2.gz GGOPHZYBEHGXSS-IBGZPJMESA-N 1 1 484.576 2.556 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291413899 1063990390 /nfs/dbraw/zinc/99/03/90/1063990390.db2.gz QYBFNVLZSYHKJL-SIKLNZKXSA-N 1 1 452.607 2.847 20 0 JFADMO CCn1cccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1=O ZINC001295939848 1063993440 /nfs/dbraw/zinc/99/34/40/1063993440.db2.gz YEYVVOKCNFLUST-GOSISDBHSA-N 1 1 471.005 2.985 20 0 JFADMO CCn1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1=O ZINC001295942505 1063995845 /nfs/dbraw/zinc/99/58/45/1063995845.db2.gz HKKVNEQKEAKSOX-UHFFFAOYSA-N 1 1 480.661 2.769 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001291419305 1063998652 /nfs/dbraw/zinc/99/86/52/1063998652.db2.gz JKDHXQCHPMTTAC-IRFCIJBXSA-N 1 1 467.680 2.696 20 0 JFADMO CCn1cccc(Cn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1=O ZINC001295949185 1063999217 /nfs/dbraw/zinc/99/92/17/1063999217.db2.gz HFABUNSGQRWAQY-GBXCKJPGSA-N 1 1 480.661 2.959 20 0 JFADMO CCn1cccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295950843 1064002538 /nfs/dbraw/zinc/00/25/38/1064002538.db2.gz NOYXHJIRMQCYLS-QFIPXVFZSA-N 1 1 494.640 2.861 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)CC1 ZINC001295951648 1064003340 /nfs/dbraw/zinc/00/33/40/1064003340.db2.gz KZVWSQWQUVYEJN-QGZVFWFLSA-N 1 1 450.986 2.849 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)CC2)CC1 ZINC001295951883 1064004081 /nfs/dbraw/zinc/00/40/81/1064004081.db2.gz PMYWLUAHYBWUGT-LJQANCHMSA-N 1 1 458.594 2.896 20 0 JFADMO CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295953593 1064005485 /nfs/dbraw/zinc/00/54/85/1064005485.db2.gz HFJOBMJSXXSHGY-SFHVURJKSA-N 1 1 486.596 2.764 20 0 JFADMO CCn1cnnc1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295953593 1064005497 /nfs/dbraw/zinc/00/54/97/1064005497.db2.gz HFJOBMJSXXSHGY-SFHVURJKSA-N 1 1 486.596 2.764 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291424229 1064006583 /nfs/dbraw/zinc/00/65/83/1064006583.db2.gz VJQZOVCBDPAANZ-WMZHIEFXSA-N 1 1 483.665 2.647 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291434713 1064015351 /nfs/dbraw/zinc/01/53/51/1064015351.db2.gz RZPHXKNGNXTAIL-RTWAWAEBSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291434713 1064015364 /nfs/dbraw/zinc/01/53/64/1064015364.db2.gz RZPHXKNGNXTAIL-RTWAWAEBSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291434713 1064015376 /nfs/dbraw/zinc/01/53/76/1064015376.db2.gz RZPHXKNGNXTAIL-RTWAWAEBSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291435256 1064016014 /nfs/dbraw/zinc/01/60/14/1064016014.db2.gz ZXVKRTZHCXXQLO-FGZHOGPDSA-N 1 1 469.682 2.714 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001295975440 1064019175 /nfs/dbraw/zinc/01/91/75/1064019175.db2.gz DECLCTJGRNCCOW-IRFCIJBXSA-N 1 1 488.658 2.807 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001295975473 1064019199 /nfs/dbraw/zinc/01/91/99/1064019199.db2.gz DJYREEHEWZOTMJ-UXHICEINSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001295975471 1064019261 /nfs/dbraw/zinc/01/92/61/1064019261.db2.gz DJYREEHEWZOTMJ-PMACEKPBSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001295975490 1064019813 /nfs/dbraw/zinc/01/98/13/1064019813.db2.gz CKKRRYQYMUPKNI-HKBOAZHASA-N 1 1 453.635 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)c2ccccc2)C[C@H]1C ZINC001295975492 1064019829 /nfs/dbraw/zinc/01/98/29/1064019829.db2.gz CKKRRYQYMUPKNI-NJYVYQBISA-N 1 1 453.635 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975931 1064020818 /nfs/dbraw/zinc/02/08/18/1064020818.db2.gz HAGSAHQVJDQHNK-PBPSECFOSA-N 1 1 462.545 2.944 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976067 1064021102 /nfs/dbraw/zinc/02/11/02/1064021102.db2.gz CFEHPRSQROAWOK-HSALFYBXSA-N 1 1 488.608 2.725 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001295976221 1064021675 /nfs/dbraw/zinc/02/16/75/1064021675.db2.gz GRPTZJQMUHAZQP-DLBZAZTESA-N 1 1 495.550 2.745 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295976146 1064021710 /nfs/dbraw/zinc/02/17/10/1064021710.db2.gz IKHXLEBZVYLWKG-HLLBOEOZSA-N 1 1 499.479 2.922 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001295976146 1064021715 /nfs/dbraw/zinc/02/17/15/1064021715.db2.gz IKHXLEBZVYLWKG-HLLBOEOZSA-N 1 1 499.479 2.922 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291456181 1064022115 /nfs/dbraw/zinc/02/21/15/1064022115.db2.gz LGLJPFZMCSRSSJ-GOSISDBHSA-N 1 1 468.602 2.635 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976267 1064022162 /nfs/dbraw/zinc/02/21/62/1064022162.db2.gz HFBQOMJOAKEVTP-XQBPLPMBSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001295976267 1064022164 /nfs/dbraw/zinc/02/21/64/1064022164.db2.gz HFBQOMJOAKEVTP-XQBPLPMBSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976224 1064022181 /nfs/dbraw/zinc/02/21/81/1064022181.db2.gz GRPTZJQMUHAZQP-SJORKVTESA-N 1 1 495.550 2.745 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001295977250 1064022977 /nfs/dbraw/zinc/02/29/77/1064022977.db2.gz NXVULBPQXDITLG-IAGOWNOFSA-N 1 1 485.658 2.666 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295977309 1064023022 /nfs/dbraw/zinc/02/30/22/1064023022.db2.gz KDKZQANHOCOHOM-IAGOWNOFSA-N 1 1 480.548 2.622 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457310 1064023287 /nfs/dbraw/zinc/02/32/87/1064023287.db2.gz IWPROCPGDVXSSU-VWNXMTODSA-N 1 1 470.662 2.851 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 ZINC001291458467 1064024770 /nfs/dbraw/zinc/02/47/70/1064024770.db2.gz HXAFJFWUZCHVDL-BESBDSHLSA-N 1 1 472.682 2.765 20 0 JFADMO CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978347 1064025541 /nfs/dbraw/zinc/02/55/41/1064025541.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 1 1 474.675 2.752 20 0 JFADMO CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978347 1064025543 /nfs/dbraw/zinc/02/55/43/1064025543.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 1 1 474.675 2.752 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCOCc2ccc(OC)cc2)C[C@H]1C ZINC001295978797 1064026432 /nfs/dbraw/zinc/02/64/32/1064026432.db2.gz NOKONQYLABHLDF-MOPGFXCFSA-N 1 1 458.607 2.561 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026457 /nfs/dbraw/zinc/02/64/57/1064026457.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026463 /nfs/dbraw/zinc/02/64/63/1064026463.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 1 1 474.675 2.752 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001291470209 1064030646 /nfs/dbraw/zinc/03/06/46/1064030646.db2.gz NAAOWSPNMZTOPK-CTAFRAEOSA-N 1 1 491.681 2.694 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1COC ZINC001291470285 1064031085 /nfs/dbraw/zinc/03/10/85/1064031085.db2.gz NSAPNTDRDPKFLV-ROKPMTFOSA-N 1 1 468.646 2.975 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@@H]1C ZINC001295980711 1064031141 /nfs/dbraw/zinc/03/11/41/1064031141.db2.gz PRZBTTOQBBNWPV-GBESFXJTSA-N 1 1 487.674 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980891 1064031420 /nfs/dbraw/zinc/03/14/20/1064031420.db2.gz PYSKXPWXWOBAQX-GBESFXJTSA-N 1 1 492.690 2.794 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981283 1064031699 /nfs/dbraw/zinc/03/16/99/1064031699.db2.gz RATJUFVLRIMZHR-BZDHPDOMSA-N 1 1 451.637 2.890 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC(=O)N1CCCCCC1 ZINC001291470829 1064032085 /nfs/dbraw/zinc/03/20/85/1064032085.db2.gz WGBVPOPYNUCTLN-FUDKSRODSA-N 1 1 487.693 2.573 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470920 1064032431 /nfs/dbraw/zinc/03/24/31/1064032431.db2.gz XDONRGYMLPMNEU-CMKODMSKSA-N 1 1 459.664 2.870 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032713 /nfs/dbraw/zinc/03/27/13/1064032713.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 1 1 459.683 2.945 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032721 /nfs/dbraw/zinc/03/27/21/1064032721.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 1 1 459.683 2.945 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471091 1064033452 /nfs/dbraw/zinc/03/34/52/1064033452.db2.gz YWPJVZTVBLRQJC-JAXLGGSGSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001295982244 1064034271 /nfs/dbraw/zinc/03/42/71/1064034271.db2.gz WWSWNOCXGBVQTF-KCYKTTMJSA-N 1 1 458.607 2.551 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001295982285 1064034635 /nfs/dbraw/zinc/03/46/35/1064034635.db2.gz DCELPSBGNOMLJV-ROUUACIJSA-N 1 1 468.606 2.643 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@H]1C ZINC001295982474 1064035709 /nfs/dbraw/zinc/03/57/09/1064035709.db2.gz TUXCMZFNHMZBPW-SQNIBIBYSA-N 1 1 466.627 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)C[C@H]1C ZINC001295982799 1064036668 /nfs/dbraw/zinc/03/66/68/1064036668.db2.gz YJLJMJAPULDHCT-UWVAXJGDSA-N 1 1 461.010 2.959 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982892 1064037133 /nfs/dbraw/zinc/03/71/33/1064037133.db2.gz GLVYZXLPMHECTJ-QZTJIDSGSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982892 1064037146 /nfs/dbraw/zinc/03/71/46/1064037146.db2.gz GLVYZXLPMHECTJ-QZTJIDSGSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983174 1064038371 /nfs/dbraw/zinc/03/83/71/1064038371.db2.gz YOMJFHCIJOADGG-ZRBLBEILSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983174 1064038374 /nfs/dbraw/zinc/03/83/74/1064038374.db2.gz YOMJFHCIJOADGG-ZRBLBEILSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@H]1C ZINC001295983541 1064039464 /nfs/dbraw/zinc/03/94/64/1064039464.db2.gz WYZDKVPOABQXJM-HSALFYBXSA-N 1 1 468.606 2.550 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984097 1064040698 /nfs/dbraw/zinc/04/06/98/1064040698.db2.gz LCOFTOFIMHDHFX-DLBZAZTESA-N 1 1 458.998 2.692 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984246 1064041919 /nfs/dbraw/zinc/04/19/19/1064041919.db2.gz YITHLWMBGBKEHH-SQNIBIBYSA-N 1 1 480.704 2.886 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001295987168 1064042863 /nfs/dbraw/zinc/04/28/63/1064042863.db2.gz YXAMCTFPTYBICI-QZTJIDSGSA-N 1 1 453.591 2.971 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989547 1064044449 /nfs/dbraw/zinc/04/44/49/1064044449.db2.gz BNQMJPDCIGJTSF-RBUKOAKNSA-N 1 1 463.586 2.698 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001295992678 1064047333 /nfs/dbraw/zinc/04/73/33/1064047333.db2.gz FCLZWIRBNWNIKD-QZTJIDSGSA-N 1 1 466.565 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295993217 1064048372 /nfs/dbraw/zinc/04/83/72/1064048372.db2.gz GYLMURCTDTVQHS-HBFSDRIKSA-N 1 1 472.638 2.997 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001295993651 1064049273 /nfs/dbraw/zinc/04/92/73/1064049273.db2.gz DQSJOUHGOJDUDW-SKWRMQMOSA-N 1 1 488.702 2.710 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291497441 1064050021 /nfs/dbraw/zinc/05/00/21/1064050021.db2.gz XKAKFQNBDVABSI-DYESRHJHSA-N 1 1 485.608 2.829 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295994072 1064050238 /nfs/dbraw/zinc/05/02/38/1064050238.db2.gz IULLLQRCFDVLGN-RBUKOAKNSA-N 1 1 451.575 2.728 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1nnc(C)s1 ZINC001291498137 1064050421 /nfs/dbraw/zinc/05/04/21/1064050421.db2.gz JCRMABCCZJMYEX-GOSISDBHSA-N 1 1 488.706 2.965 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994746 1064050653 /nfs/dbraw/zinc/05/06/53/1064050653.db2.gz JKARCAZWKWBMAT-BQFCYCMXSA-N 1 1 493.454 2.588 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995188 1064051168 /nfs/dbraw/zinc/05/11/68/1064051168.db2.gz XPZYOUDDWQOGLR-HZPDHXFCSA-N 1 1 474.411 2.703 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996168 1064052268 /nfs/dbraw/zinc/05/22/68/1064052268.db2.gz MPDXMUYSAGJQJW-IRXDYDNUSA-N 1 1 469.590 2.672 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291503174 1064054216 /nfs/dbraw/zinc/05/42/16/1064054216.db2.gz UEGPIKIBHUBBHZ-MRXNPFEDSA-N 1 1 474.572 2.797 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291503174 1064054224 /nfs/dbraw/zinc/05/42/24/1064054224.db2.gz UEGPIKIBHUBBHZ-MRXNPFEDSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001295997741 1064054150 /nfs/dbraw/zinc/05/41/50/1064054150.db2.gz RWGCZHBWZTZPIL-GIYDNNGJSA-N 1 1 475.588 2.729 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998208 1064055143 /nfs/dbraw/zinc/05/51/43/1064055143.db2.gz TYVOJAYHSXMIKY-WOJBJXKFSA-N 1 1 465.602 2.865 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295999510 1064056578 /nfs/dbraw/zinc/05/65/78/1064056578.db2.gz BGLMNKSCNVETIZ-QZTJIDSGSA-N 1 1 451.550 2.961 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291504869 1064056577 /nfs/dbraw/zinc/05/65/77/1064056577.db2.gz YVNXTUXREXGPAM-NRFANRHFSA-N 1 1 482.677 2.751 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001296000815 1064057095 /nfs/dbraw/zinc/05/70/95/1064057095.db2.gz FAHNZOCKDNNYPI-WOJBJXKFSA-N 1 1 477.613 2.709 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001467 1064057584 /nfs/dbraw/zinc/05/75/84/1064057584.db2.gz IAFUIZRYGXCVGQ-FCHUYYIVSA-N 1 1 467.662 2.744 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058333 /nfs/dbraw/zinc/05/83/33/1064058333.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 1 1 470.662 2.907 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296007633 1064061282 /nfs/dbraw/zinc/06/12/82/1064061282.db2.gz FILVQVXZZJCZOS-OALUTQOASA-N 1 1 466.634 2.598 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291510346 1064061852 /nfs/dbraw/zinc/06/18/52/1064061852.db2.gz UAGMQCOSPYCJOP-WOJBJXKFSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001291510320 1064061876 /nfs/dbraw/zinc/06/18/76/1064061876.db2.gz SUPNSOKPMVHKLB-TZIWHRDSSA-N 1 1 459.683 2.701 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291510345 1064061985 /nfs/dbraw/zinc/06/19/85/1064061985.db2.gz UAGMQCOSPYCJOP-VQTJNVASSA-N 1 1 461.655 2.677 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008828 1064063098 /nfs/dbraw/zinc/06/30/98/1064063098.db2.gz BPOZYDZWJKWIQU-VQTJNVASSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001296008855 1064063537 /nfs/dbraw/zinc/06/35/37/1064063537.db2.gz BUHCXTQUJKOPIL-UPUUWEMXSA-N 1 1 457.619 2.933 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296009313 1064063827 /nfs/dbraw/zinc/06/38/27/1064063827.db2.gz JRJJUDHCHHTXOL-FUHIMQAGSA-N 1 1 459.664 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009476 1064064772 /nfs/dbraw/zinc/06/47/72/1064064772.db2.gz GSINKCPVGOMQQV-LEWJYISDSA-N 1 1 492.690 2.721 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@H]1C ZINC001296009567 1064065408 /nfs/dbraw/zinc/06/54/08/1064065408.db2.gz LNYLBQVIKDUMRK-ZRCGQRJVSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066325 /nfs/dbraw/zinc/06/63/25/1064066325.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 1 1 470.662 2.712 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009915 1064066919 /nfs/dbraw/zinc/06/69/19/1064066919.db2.gz JEKZYPCQEDWJEN-RTWAWAEBSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010005 1064067539 /nfs/dbraw/zinc/06/75/39/1064067539.db2.gz JQVQLAADWZVIHE-PMACEKPBSA-N 1 1 474.654 2.973 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296010167 1064068146 /nfs/dbraw/zinc/06/81/46/1064068146.db2.gz PKZCTSCCBMFJFG-WOJBJXKFSA-N 1 1 457.619 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296010830 1064069581 /nfs/dbraw/zinc/06/95/81/1064069581.db2.gz MJNHCLWDAFNKMR-RBUKOAKNSA-N 1 1 468.577 2.971 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291517324 1064070492 /nfs/dbraw/zinc/07/04/92/1064070492.db2.gz SPZMTJXXUJNRDQ-XXBNENTESA-N 1 1 499.660 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011247 1064070659 /nfs/dbraw/zinc/07/06/59/1064070659.db2.gz UNQAELYSLMEFDD-LNLFQRSKSA-N 1 1 458.573 2.803 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001296011895 1064072228 /nfs/dbraw/zinc/07/22/28/1064072228.db2.gz XGRMLDOKCAIRNO-QONNDPFASA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001296011895 1064072238 /nfs/dbraw/zinc/07/22/38/1064072238.db2.gz XGRMLDOKCAIRNO-QONNDPFASA-N 1 1 497.732 2.969 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012575 1064073557 /nfs/dbraw/zinc/07/35/57/1064073557.db2.gz UAWAYJQVWWWMFD-RTBURBONSA-N 1 1 470.647 2.550 20 0 JFADMO CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001296015311 1064077708 /nfs/dbraw/zinc/07/77/08/1064077708.db2.gz RUMUVZAVVYUVCX-XRXFAXGQSA-N 1 1 498.738 2.787 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2CCCO)Oc2ccccc21 ZINC001296016913 1064078071 /nfs/dbraw/zinc/07/80/71/1064078071.db2.gz VWJZHKLLRVUOCO-LEWJYISDSA-N 1 1 456.635 2.972 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@H]1C ZINC001296016991 1064078371 /nfs/dbraw/zinc/07/83/71/1064078371.db2.gz WNLYRBDTIFYIID-QZTJIDSGSA-N 1 1 470.574 2.967 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291538983 1064080216 /nfs/dbraw/zinc/08/02/16/1064080216.db2.gz XYUFJMYEXAYASL-XUVXKRRUSA-N 1 1 454.685 2.678 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001291539035 1064080311 /nfs/dbraw/zinc/08/03/11/1064080311.db2.gz YZGCSIIWHQTARS-ROUUACIJSA-N 1 1 480.704 2.677 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001291539034 1064080354 /nfs/dbraw/zinc/08/03/54/1064080354.db2.gz YZGCSIIWHQTARS-QZTJIDSGSA-N 1 1 480.704 2.677 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001291539692 1064081607 /nfs/dbraw/zinc/08/16/07/1064081607.db2.gz HYEYQYFUUHIHBE-UYAOXDASSA-N 1 1 452.669 2.670 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001296032689 1064090046 /nfs/dbraw/zinc/09/00/46/1064090046.db2.gz BQOGSDNHLXDDET-JAXLGGSGSA-N 1 1 470.618 2.729 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC001296033071 1064091001 /nfs/dbraw/zinc/09/10/01/1064091001.db2.gz JBIXBAYEVACRHY-VQTJNVASSA-N 1 1 490.674 2.758 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296035373 1064094249 /nfs/dbraw/zinc/09/42/49/1064094249.db2.gz BTSZKJKIJDOYRE-BTYIYWSLSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296036156 1064094993 /nfs/dbraw/zinc/09/49/93/1064094993.db2.gz GIBMBHJCYGGZJS-QGZVFWFLSA-N 1 1 494.482 2.925 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)C1 ZINC001296036470 1064096184 /nfs/dbraw/zinc/09/61/84/1064096184.db2.gz KKILAFNIVOTFJN-VQTJNVASSA-N 1 1 484.645 2.997 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(CC(=O)NC)CC2)C1 ZINC001296036391 1064096198 /nfs/dbraw/zinc/09/61/98/1064096198.db2.gz JFVJJLNRAQZEOW-IBGZPJMESA-N 1 1 470.618 2.657 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291570082 1064096964 /nfs/dbraw/zinc/09/69/64/1064096964.db2.gz ULWACYYDCIDKJY-WOJBJXKFSA-N 1 1 459.614 2.889 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCc1nccnc1C ZINC001291570344 1064097290 /nfs/dbraw/zinc/09/72/90/1064097290.db2.gz VFNKPMFHGVNKBX-LJQANCHMSA-N 1 1 456.639 2.513 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCc1nccnc1C ZINC001291570344 1064097293 /nfs/dbraw/zinc/09/72/93/1064097293.db2.gz VFNKPMFHGVNKBX-LJQANCHMSA-N 1 1 456.639 2.513 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001291571185 1064097747 /nfs/dbraw/zinc/09/77/47/1064097747.db2.gz RBYXRJJVNVTQCU-FQEVSTJZSA-N 1 1 462.664 2.832 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291571719 1064098359 /nfs/dbraw/zinc/09/83/59/1064098359.db2.gz WMTDUWYRLRDFNO-NRFANRHFSA-N 1 1 454.619 2.753 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001296038583 1064098995 /nfs/dbraw/zinc/09/89/95/1064098995.db2.gz QMIXDIJNHWQADH-HOTGVXAUSA-N 1 1 485.029 2.550 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001296039103 1064099091 /nfs/dbraw/zinc/09/90/91/1064099091.db2.gz QSVOYQZYGNCHMJ-KRWDZBQOSA-N 1 1 461.408 2.718 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cn2nc(C(F)F)cc2C(F)F)CC1 ZINC001291576165 1064099839 /nfs/dbraw/zinc/09/98/39/1064099839.db2.gz GELQPFGQHLMIMW-UHFFFAOYSA-N 1 1 451.465 2.817 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291576894 1064100282 /nfs/dbraw/zinc/10/02/82/1064100282.db2.gz CNRPKCXIAXFIJS-SIKLNZKXSA-N 1 1 472.609 2.740 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001296040950 1064100812 /nfs/dbraw/zinc/10/08/12/1064100812.db2.gz ZUNQHROCXXRFAY-QVKFZJNVSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001296040769 1064100842 /nfs/dbraw/zinc/10/08/42/1064100842.db2.gz WXJRJBCYGYUOTP-MRXNPFEDSA-N 1 1 461.408 2.636 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042400 1064101841 /nfs/dbraw/zinc/10/18/41/1064101841.db2.gz JQINHQPMMNTVBJ-MGPUTAFESA-N 1 1 455.529 2.550 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccnc(SC)c1 ZINC001291578571 1064103613 /nfs/dbraw/zinc/10/36/13/1064103613.db2.gz FFWHRDAYPLFQEY-MJGOQNOKSA-N 1 1 457.648 2.700 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001296044719 1064104500 /nfs/dbraw/zinc/10/45/00/1064104500.db2.gz FTRROGADYKZKKL-AABGKKOBSA-N 1 1 492.665 2.932 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001291579680 1064106613 /nfs/dbraw/zinc/10/66/13/1064106613.db2.gz KHYRKLLMHVTAEZ-AVRDEDQJSA-N 1 1 467.618 2.541 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001296048663 1064108398 /nfs/dbraw/zinc/10/83/98/1064108398.db2.gz XZHAMSFDHXAYLW-AABGKKOBSA-N 1 1 462.639 2.817 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001296048949 1064108818 /nfs/dbraw/zinc/10/88/18/1064108818.db2.gz ZLIGOAZQUGNLSJ-VQTJNVASSA-N 1 1 461.632 2.554 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001296049063 1064109222 /nfs/dbraw/zinc/10/92/22/1064109222.db2.gz GLWCWMOILKSNSY-LJQANCHMSA-N 1 1 474.679 2.559 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296048992 1064109252 /nfs/dbraw/zinc/10/92/52/1064109252.db2.gz FREKCMSMHIMYHB-QFIPXVFZSA-N 1 1 468.646 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296050306 1064110089 /nfs/dbraw/zinc/11/00/89/1064110089.db2.gz PVTAKDZNODBFHB-SFHVURJKSA-N 1 1 463.623 2.753 20 0 JFADMO CCN(C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1)S(C)(=O)=O ZINC001296050997 1064111325 /nfs/dbraw/zinc/11/13/25/1064111325.db2.gz WRGIXPJHMYOGSF-JOCHJYFZSA-N 1 1 488.702 2.655 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001296051693 1064112082 /nfs/dbraw/zinc/11/20/82/1064112082.db2.gz JDBPZLVYTGHAAY-DLBZAZTESA-N 1 1 499.607 2.684 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296051940 1064112979 /nfs/dbraw/zinc/11/29/79/1064112979.db2.gz LMBYFSZSWAZKTB-FPOVZHCZSA-N 1 1 461.632 2.521 20 0 JFADMO CCN(c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296052121 1064113013 /nfs/dbraw/zinc/11/30/13/1064113013.db2.gz OILLIBQDGCSGTC-NHCUHLMSSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296052642 1064113998 /nfs/dbraw/zinc/11/39/98/1064113998.db2.gz TZBPNNNCTCIHGA-QZTJIDSGSA-N 1 1 479.672 2.544 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296053161 1064114458 /nfs/dbraw/zinc/11/44/58/1064114458.db2.gz WRZZOZFTSZZHMV-FQEVSTJZSA-N 1 1 499.660 2.838 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(N(C)CCCS(C)(=O)=O)nnc2C2(c3ccccc3)CCC2)C1 ZINC001296053228 1064114466 /nfs/dbraw/zinc/11/44/66/1064114466.db2.gz YMLWUCMCELPSPO-HXUWFJFHSA-N 1 1 459.660 2.961 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 ZINC001296053495 1064114905 /nfs/dbraw/zinc/11/49/05/1064114905.db2.gz ZVMOSGKYOMQWNO-PMACEKPBSA-N 1 1 456.591 2.784 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001296054416 1064115857 /nfs/dbraw/zinc/11/58/57/1064115857.db2.gz AVIVJUXCKKSDIU-KSEOMHKRSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(CO)CC2)C1 ZINC001296057174 1064119031 /nfs/dbraw/zinc/11/90/31/1064119031.db2.gz SRIKTSALUWTCGQ-AQNXPRMDSA-N 1 1 462.639 2.599 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNC(=O)C(C)C ZINC001296058469 1064120408 /nfs/dbraw/zinc/12/04/08/1064120408.db2.gz AWDFOGIFINHMJN-INIZCTEOSA-N 1 1 466.428 2.728 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001296058729 1064120721 /nfs/dbraw/zinc/12/07/21/1064120721.db2.gz CUXKQMSTKARXME-HOCLYGCPSA-N 1 1 487.468 2.779 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccccc2F)CC1 ZINC001296058741 1064120736 /nfs/dbraw/zinc/12/07/36/1064120736.db2.gz CYVIFRWTJSJHLY-PMACEKPBSA-N 1 1 460.598 2.952 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001296058728 1064120740 /nfs/dbraw/zinc/12/07/40/1064120740.db2.gz CUXKQMSTKARXME-GOEBONIOSA-N 1 1 487.468 2.779 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291589324 1064121094 /nfs/dbraw/zinc/12/10/94/1064121094.db2.gz GMOUDAOCPJEIOI-PMACEKPBSA-N 1 1 463.671 2.779 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001296058954 1064121502 /nfs/dbraw/zinc/12/15/02/1064121502.db2.gz FWADYXJDRRVIHW-DNVCBOLYSA-N 1 1 467.039 2.589 20 0 JFADMO CCN1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059434 1064122270 /nfs/dbraw/zinc/12/22/70/1064122270.db2.gz FQDMCGHGRPKBCJ-OAQYLSRUSA-N 1 1 474.675 2.800 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291590461 1064123935 /nfs/dbraw/zinc/12/39/35/1064123935.db2.gz XEDHZCDLYAZQGM-UXHICEINSA-N 1 1 491.681 2.791 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291590463 1064123952 /nfs/dbraw/zinc/12/39/52/1064123952.db2.gz XEDHZCDLYAZQGM-WOJBJXKFSA-N 1 1 491.681 2.791 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001296060041 1064123996 /nfs/dbraw/zinc/12/39/96/1064123996.db2.gz KQKHNHHAYCDIIO-IXDOHACOSA-N 1 1 452.600 2.709 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 ZINC001296060071 1064124012 /nfs/dbraw/zinc/12/40/12/1064124012.db2.gz LJECAAHNFYGNAM-MOPGFXCFSA-N 1 1 453.653 2.589 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCSC2(CCOCC2)C1 ZINC001296060072 1064124016 /nfs/dbraw/zinc/12/40/16/1064124016.db2.gz LJECAAHNFYGNAM-OALUTQOASA-N 1 1 453.653 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001296060258 1064124212 /nfs/dbraw/zinc/12/42/12/1064124212.db2.gz LLWRHUQMWFCCAG-HJEWZCFVSA-N 1 1 460.648 2.912 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296060274 1064124795 /nfs/dbraw/zinc/12/47/95/1064124795.db2.gz LNAMUNHOAJKIML-PKOBYXMFSA-N 1 1 474.581 2.512 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296060276 1064124857 /nfs/dbraw/zinc/12/48/57/1064124857.db2.gz LNTJRDQZMVHPOY-FXAWDEMLSA-N 1 1 481.066 2.848 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001296060412 1064125317 /nfs/dbraw/zinc/12/53/17/1064125317.db2.gz ARZQRFGFDBUJKL-SFHVURJKSA-N 1 1 458.632 2.792 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001296060631 1064125790 /nfs/dbraw/zinc/12/57/90/1064125790.db2.gz DNCGCFYYAHSKED-LJQANCHMSA-N 1 1 456.982 2.891 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296061774 1064127697 /nfs/dbraw/zinc/12/76/97/1064127697.db2.gz QNMVUYQPTRWYJZ-YUMYIRISSA-N 1 1 485.629 2.879 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 ZINC001296062635 1064128288 /nfs/dbraw/zinc/12/82/88/1064128288.db2.gz TYAFTVKRJFILLH-CTNGQTDRSA-N 1 1 460.598 2.810 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291594657 1064130783 /nfs/dbraw/zinc/13/07/83/1064130783.db2.gz IPSXJRRVDSQKDC-OTWHNJEPSA-N 1 1 459.605 2.890 20 0 JFADMO CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296066440 1064132065 /nfs/dbraw/zinc/13/20/65/1064132065.db2.gz XZHNLGOCCKARNO-QFIPXVFZSA-N 1 1 457.596 2.681 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296067631 1064132758 /nfs/dbraw/zinc/13/27/58/1064132758.db2.gz KGGAAYYMVMCUGG-VQTJNVASSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296067633 1064132884 /nfs/dbraw/zinc/13/28/84/1064132884.db2.gz KGGAAYYMVMCUGG-WOJBJXKFSA-N 1 1 489.665 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291598300 1064133479 /nfs/dbraw/zinc/13/34/79/1064133479.db2.gz AIUWIEHRGXPRHK-ZVDOUQERSA-N 1 1 474.654 2.723 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccccc1C ZINC001296068219 1064133769 /nfs/dbraw/zinc/13/37/69/1064133769.db2.gz NAGIYEDNMOHGQZ-RTWAWAEBSA-N 1 1 475.659 2.878 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291598757 1064133791 /nfs/dbraw/zinc/13/37/91/1064133791.db2.gz CTCDAPQKAGIESS-JAXLGGSGSA-N 1 1 454.619 2.750 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccccc1C ZINC001296068220 1064133866 /nfs/dbraw/zinc/13/38/66/1064133866.db2.gz NAGIYEDNMOHGQZ-SFTDATJTSA-N 1 1 475.659 2.878 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001296068409 1064134484 /nfs/dbraw/zinc/13/44/84/1064134484.db2.gz ORFZDEVAUHTLTK-TUNNFDKTSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001296072281 1064135977 /nfs/dbraw/zinc/13/59/77/1064135977.db2.gz BNVPNNPEAOSDNU-FQEVSTJZSA-N 1 1 489.665 2.626 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296072369 1064136615 /nfs/dbraw/zinc/13/66/15/1064136615.db2.gz MVGGXKLKIPFALL-FCHUYYIVSA-N 1 1 457.619 2.992 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001296072370 1064136662 /nfs/dbraw/zinc/13/66/62/1064136662.db2.gz MVGGXKLKIPFALL-FGZHOGPDSA-N 1 1 457.619 2.992 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001296072834 1064137626 /nfs/dbraw/zinc/13/76/26/1064137626.db2.gz FTVODBVVCMXFGP-QZTJIDSGSA-N 1 1 468.023 2.618 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001296072835 1064137645 /nfs/dbraw/zinc/13/76/45/1064137645.db2.gz FTVODBVVCMXFGP-ROUUACIJSA-N 1 1 468.023 2.618 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001296072976 1064137966 /nfs/dbraw/zinc/13/79/66/1064137966.db2.gz HHEFSXQHYHPHCC-PKOBYXMFSA-N 1 1 460.554 2.757 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296073531 1064138613 /nfs/dbraw/zinc/13/86/13/1064138613.db2.gz RMCDFMDJUFEHBE-PMACEKPBSA-N 1 1 455.607 2.852 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291605581 1064141547 /nfs/dbraw/zinc/14/15/47/1064141547.db2.gz JUZYKLWPOJMUNQ-QHAWAJNXSA-N 1 1 482.677 2.980 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296075144 1064142706 /nfs/dbraw/zinc/14/27/06/1064142706.db2.gz NKSXLJTZEFCGAE-KSZLIROESA-N 1 1 473.540 2.834 20 0 JFADMO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001296075276 1064142744 /nfs/dbraw/zinc/14/27/44/1064142744.db2.gz ZEBKNULVQLGGBF-LJQANCHMSA-N 1 1 458.367 2.591 20 0 JFADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001296075276 1064142748 /nfs/dbraw/zinc/14/27/48/1064142748.db2.gz ZEBKNULVQLGGBF-LJQANCHMSA-N 1 1 458.367 2.591 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296075688 1064143490 /nfs/dbraw/zinc/14/34/90/1064143490.db2.gz PZXZIORLLUACKW-WOIUINJBSA-N 1 1 488.599 2.876 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001296079075 1064146057 /nfs/dbraw/zinc/14/60/57/1064146057.db2.gz BTJFISWDQCNALX-SIKLNZKXSA-N 1 1 459.639 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296079417 1064147305 /nfs/dbraw/zinc/14/73/05/1064147305.db2.gz GAAQCBFOOFECCF-LJQANCHMSA-N 1 1 461.010 2.944 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296081456 1064149293 /nfs/dbraw/zinc/14/92/93/1064149293.db2.gz UQIJGGZKHLPBOT-LJQANCHMSA-N 1 1 492.571 2.716 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082049 1064149808 /nfs/dbraw/zinc/14/98/08/1064149808.db2.gz ZTUNJVACRADCHJ-VQTJNVASSA-N 1 1 488.608 2.727 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001296082632 1064150371 /nfs/dbraw/zinc/15/03/71/1064150371.db2.gz DPCZVGWJAHWTPQ-UYAOXDASSA-N 1 1 453.505 2.735 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291613180 1064150946 /nfs/dbraw/zinc/15/09/46/1064150946.db2.gz CWENELDNXUKMRN-FPOVZHCZSA-N 1 1 486.665 2.582 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296084670 1064151773 /nfs/dbraw/zinc/15/17/73/1064151773.db2.gz NSGSQDNQYQNOMY-OAQYLSRUSA-N 1 1 469.634 2.502 20 0 JFADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2CC)c2ccccc2c1=O ZINC001296084713 1064152277 /nfs/dbraw/zinc/15/22/77/1064152277.db2.gz NZMJYBTWGNOAEL-LJQANCHMSA-N 1 1 494.644 2.510 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296084737 1064152293 /nfs/dbraw/zinc/15/22/93/1064152293.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001296084737 1064152297 /nfs/dbraw/zinc/15/22/97/1064152297.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084803 1064152815 /nfs/dbraw/zinc/15/28/15/1064152815.db2.gz OVPGFNOZNHDZCM-WOJBJXKFSA-N 1 1 489.665 2.939 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087094 1064154967 /nfs/dbraw/zinc/15/49/67/1064154967.db2.gz JQPATBYGEIGQQZ-CEWLAPEOSA-N 1 1 490.674 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001296086931 1064155438 /nfs/dbraw/zinc/15/54/38/1064155438.db2.gz CEUDNGKBVAOKFC-MSOLQXFVSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001296087305 1064156161 /nfs/dbraw/zinc/15/61/61/1064156161.db2.gz DTUSPBGVDBVDJY-FPOVZHCZSA-N 1 1 490.674 2.685 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 ZINC001296087354 1064156200 /nfs/dbraw/zinc/15/62/00/1064156200.db2.gz FNRVLDIDAONKCI-LJQANCHMSA-N 1 1 458.588 2.847 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296088883 1064158834 /nfs/dbraw/zinc/15/88/34/1064158834.db2.gz NCEXELVNSTXOEP-MJGOQNOKSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296088898 1064159454 /nfs/dbraw/zinc/15/94/54/1064159454.db2.gz NRLJQDCGXOQQQG-HXUWFJFHSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621867 1064162397 /nfs/dbraw/zinc/16/23/97/1064162397.db2.gz PZDKPSHMYYMIIN-MOPGFXCFSA-N 1 1 454.619 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296091752 1064163025 /nfs/dbraw/zinc/16/30/25/1064163025.db2.gz BPZOVAXPZKOZKT-FPOVZHCZSA-N 1 1 459.664 2.813 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296091779 1064163091 /nfs/dbraw/zinc/16/30/91/1064163091.db2.gz BVGNLCYEDIGNMG-NHCUHLMSSA-N 1 1 454.619 2.648 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001296092001 1064163637 /nfs/dbraw/zinc/16/36/37/1064163637.db2.gz DVQUVZISISVSTH-FQEVSTJZSA-N 1 1 459.664 2.990 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296092681 1064165019 /nfs/dbraw/zinc/16/50/19/1064165019.db2.gz JPMQSLUTFJIHHC-CTNGQTDRSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296093544 1064165660 /nfs/dbraw/zinc/16/56/60/1064165660.db2.gz OUDODCAKMOJWGV-OAQYLSRUSA-N 1 1 492.665 2.648 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296094167 1064166611 /nfs/dbraw/zinc/16/66/11/1064166611.db2.gz VPRSBHRESAHTAS-MZYLBHOOSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094714 1064167011 /nfs/dbraw/zinc/16/70/11/1064167011.db2.gz DEVOXJJCTRTLHL-VXKWHMMOSA-N 1 1 467.662 2.799 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CCCCn1cc[nH+]c1C ZINC001291627196 1064168688 /nfs/dbraw/zinc/16/86/88/1064168688.db2.gz KXONQSILKFMHJC-HXUWFJFHSA-N 1 1 456.639 2.521 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1cc(C)no1 ZINC001291627586 1064169637 /nfs/dbraw/zinc/16/96/37/1064169637.db2.gz DPQYKLRPQDDFII-UYAOXDASSA-N 1 1 454.575 2.698 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1=O ZINC001296096322 1064170064 /nfs/dbraw/zinc/17/00/64/1064170064.db2.gz NOWCSTAXJDOJHC-JOCHJYFZSA-N 1 1 468.646 2.925 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cnccc1OC ZINC001291628637 1064171194 /nfs/dbraw/zinc/17/11/94/1064171194.db2.gz IZYUXJOCDFQVTR-QGZVFWFLSA-N 1 1 452.607 2.916 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296098489 1064171812 /nfs/dbraw/zinc/17/18/12/1064171812.db2.gz XYISPDSOKIPFCE-NRFANRHFSA-N 1 1 470.666 2.709 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001296098377 1064171820 /nfs/dbraw/zinc/17/18/20/1064171820.db2.gz XLGSAGGESTXRDY-ZCNNSNEGSA-N 1 1 489.665 2.891 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O ZINC001296098630 1064172143 /nfs/dbraw/zinc/17/21/43/1064172143.db2.gz YPVSUKANOZRFSN-FQEVSTJZSA-N 1 1 463.648 2.829 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCS(C)(=O)=O ZINC001296098630 1064172146 /nfs/dbraw/zinc/17/21/46/1064172146.db2.gz YPVSUKANOZRFSN-FQEVSTJZSA-N 1 1 463.648 2.829 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291632817 1064182246 /nfs/dbraw/zinc/18/22/46/1064182246.db2.gz WDZRLHRROYSTBK-SFTDATJTSA-N 1 1 496.660 2.748 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291639456 1064187499 /nfs/dbraw/zinc/18/74/99/1064187499.db2.gz RFVHYORYICTKJF-SFHVURJKSA-N 1 1 461.680 2.990 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001291639456 1064187501 /nfs/dbraw/zinc/18/75/01/1064187501.db2.gz RFVHYORYICTKJF-SFHVURJKSA-N 1 1 461.680 2.990 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639696 1064188016 /nfs/dbraw/zinc/18/80/16/1064188016.db2.gz OCCZRUCMYACDPO-RBUKOAKNSA-N 1 1 476.588 2.949 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640265 1064188581 /nfs/dbraw/zinc/18/85/81/1064188581.db2.gz QSCDNXQVLADJOF-YADHBBJMSA-N 1 1 462.683 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001291641851 1064191325 /nfs/dbraw/zinc/19/13/25/1064191325.db2.gz GDQOUYPKGYYDCZ-IBGZPJMESA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643398 1064193827 /nfs/dbraw/zinc/19/38/27/1064193827.db2.gz OPLLMMQJIQCFAE-NJYVYQBISA-N 1 1 480.723 2.754 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3CCC(C)(C)O)CC2)CC1 ZINC001296118466 1064200529 /nfs/dbraw/zinc/20/05/29/1064200529.db2.gz BLNAUEXCKRZJFI-UHFFFAOYSA-N 1 1 468.646 2.877 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3C[C@@H](C)OC)CC2)CC1 ZINC001296118619 1064201017 /nfs/dbraw/zinc/20/10/17/1064201017.db2.gz FUWQXNYBZDWXCN-HXUWFJFHSA-N 1 1 454.619 2.751 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001296118685 1064201472 /nfs/dbraw/zinc/20/14/72/1064201472.db2.gz HBSGATWALGHSKK-OAQYLSRUSA-N 1 1 459.683 2.656 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cnn(C)c4)n3CCSC(C)C)CC2)CC1 ZINC001296118743 1064201933 /nfs/dbraw/zinc/20/19/33/1064201933.db2.gz JCYSYPUSFAWBQM-UHFFFAOYSA-N 1 1 488.706 2.591 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCOC4)n3CCCCSC)CC2)CC1 ZINC001296118954 1064202736 /nfs/dbraw/zinc/20/27/36/1064202736.db2.gz MHZSOCHDLJEBJI-OAQYLSRUSA-N 1 1 478.707 2.696 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650037 1064203097 /nfs/dbraw/zinc/20/30/97/1064203097.db2.gz PBOIBFMIPPVKNF-AZUAARDMSA-N 1 1 460.648 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291649905 1064203188 /nfs/dbraw/zinc/20/31/88/1064203188.db2.gz JRJXNWIGUWIMOG-FKBYEOEOSA-N 1 1 475.682 2.875 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001296119660 1064205880 /nfs/dbraw/zinc/20/58/80/1064205880.db2.gz HINMYUPBFYSRAM-XMMPIXPASA-N 1 1 498.672 2.889 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](C)COC)CC2)CC1 ZINC001296119784 1064205952 /nfs/dbraw/zinc/20/59/52/1064205952.db2.gz XAYFCKINMFCUHQ-IFMALSPDSA-N 1 1 476.666 2.573 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119856 1064206660 /nfs/dbraw/zinc/20/66/60/1064206660.db2.gz BQUJEYTZECZUPF-ZWKOTPCHSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120054 1064207438 /nfs/dbraw/zinc/20/74/38/1064207438.db2.gz DFZJIOVKQTVGHR-INIZCTEOSA-N 1 1 483.430 2.955 20 0 JFADMO C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001291658857 1064208111 /nfs/dbraw/zinc/20/81/11/1064208111.db2.gz NGSNBMXWUIKKOG-KRWDZBQOSA-N 1 1 456.612 2.644 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120118 1064208340 /nfs/dbraw/zinc/20/83/40/1064208340.db2.gz FDPFJNAHVSPNBC-UXHICEINSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121492 1064212653 /nfs/dbraw/zinc/21/26/53/1064212653.db2.gz PAIKCJQRIRTFAN-SFHVURJKSA-N 1 1 488.587 2.942 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121614 1064213246 /nfs/dbraw/zinc/21/32/46/1064213246.db2.gz QQJRJLDHZNTIRJ-OAQYLSRUSA-N 1 1 455.651 2.763 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001296122091 1064214164 /nfs/dbraw/zinc/21/41/64/1064214164.db2.gz SPGXVMQCTWSURG-LJQANCHMSA-N 1 1 471.650 2.600 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122264 1064214259 /nfs/dbraw/zinc/21/42/59/1064214259.db2.gz UXXYOSXIORRAMS-VQTJNVASSA-N 1 1 463.671 2.873 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001291677619 1064215929 /nfs/dbraw/zinc/21/59/29/1064215929.db2.gz BQGCXONHJNYMAH-UHFFFAOYSA-N 1 1 457.575 2.560 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC001291678594 1064215945 /nfs/dbraw/zinc/21/59/45/1064215945.db2.gz JYHMLSLEBNIEEY-UHFFFAOYSA-N 1 1 453.564 2.796 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123902 1064216558 /nfs/dbraw/zinc/21/65/58/1064216558.db2.gz DLKMIIYYEJZFSO-MRXNPFEDSA-N 1 1 482.460 2.850 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124456 1064216996 /nfs/dbraw/zinc/21/69/96/1064216996.db2.gz HLFGKTCPLZKQHB-HXUWFJFHSA-N 1 1 481.645 2.963 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124789 1064217576 /nfs/dbraw/zinc/21/75/76/1064217576.db2.gz ITHNUTRDLMBZQU-PKOBYXMFSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126462 1064220843 /nfs/dbraw/zinc/22/08/43/1064220843.db2.gz QKPMUZBDWAGCID-MOPGFXCFSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296130107 1064223739 /nfs/dbraw/zinc/22/37/39/1064223739.db2.gz BYYUJECRTULELH-HSZRJFAPSA-N 1 1 483.705 2.976 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296131343 1064225455 /nfs/dbraw/zinc/22/54/55/1064225455.db2.gz JTZVXRLLOYWNBE-KRWDZBQOSA-N 1 1 451.063 2.916 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131438 1064225984 /nfs/dbraw/zinc/22/59/84/1064225984.db2.gz KQLOVDNSUQPFKG-RTWAWAEBSA-N 1 1 493.697 2.705 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131731 1064226514 /nfs/dbraw/zinc/22/65/14/1064226514.db2.gz LRABRJZOWDRNAV-HZPDHXFCSA-N 1 1 487.596 2.920 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131730 1064226538 /nfs/dbraw/zinc/22/65/38/1064226538.db2.gz LRABRJZOWDRNAV-HOTGVXAUSA-N 1 1 487.596 2.920 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296131797 1064226973 /nfs/dbraw/zinc/22/69/73/1064226973.db2.gz NKZGRKZVXNHHRN-AZUAARDMSA-N 1 1 461.680 2.523 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N(C)C[C@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132581 1064230144 /nfs/dbraw/zinc/23/01/44/1064230144.db2.gz BRRZUPZOBFSKFK-FCHUYYIVSA-N 1 1 481.689 2.592 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N(C)C[C@@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132582 1064230164 /nfs/dbraw/zinc/23/01/64/1064230164.db2.gz BRRZUPZOBFSKFK-FGZHOGPDSA-N 1 1 481.689 2.592 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133188 1064232711 /nfs/dbraw/zinc/23/27/11/1064232711.db2.gz GMKVHNFFSKUSHE-UQBPGWFLSA-N 1 1 458.626 2.839 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133362 1064233421 /nfs/dbraw/zinc/23/34/21/1064233421.db2.gz TVOKQEGBWGJKPR-WOJBJXKFSA-N 1 1 475.682 2.923 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001296134691 1064236208 /nfs/dbraw/zinc/23/62/08/1064236208.db2.gz PIXMCJUHMCSDIL-FQEVSTJZSA-N 1 1 454.623 2.704 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCC(C(=O)N(C)C(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001296135186 1064238407 /nfs/dbraw/zinc/23/84/07/1064238407.db2.gz XBMHIBSSGADHMZ-HXUWFJFHSA-N 1 1 461.699 2.685 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2)CC1 ZINC001296135205 1064238864 /nfs/dbraw/zinc/23/88/64/1064238864.db2.gz XEHYHYZRLALXCS-SFHVURJKSA-N 1 1 471.631 2.525 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296135264 1064239090 /nfs/dbraw/zinc/23/90/90/1064239090.db2.gz XRVRAJIAARUNKW-GBESFXJTSA-N 1 1 491.731 2.626 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291759417 1064239407 /nfs/dbraw/zinc/23/94/07/1064239407.db2.gz DYIDNKMNKXETLV-QTEQDKRBSA-N 1 1 456.635 2.841 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001291759872 1064240515 /nfs/dbraw/zinc/24/05/15/1064240515.db2.gz LQDGHQYGTGFLAP-IBGZPJMESA-N 1 1 469.634 2.545 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760014 1064240806 /nfs/dbraw/zinc/24/08/06/1064240806.db2.gz MODWPKMMEPFDMR-PMACEKPBSA-N 1 1 484.649 2.705 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291760043 1064241323 /nfs/dbraw/zinc/24/13/23/1064241323.db2.gz NANNMFQDDTYZIG-RCCFBDPRSA-N 1 1 460.554 2.928 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001291760159 1064241833 /nfs/dbraw/zinc/24/18/33/1064241833.db2.gz KBFKQXXGEKAEKH-WIYYLYMNSA-N 1 1 492.690 2.787 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761841 1064242666 /nfs/dbraw/zinc/24/26/66/1064242666.db2.gz VSAOXXODJIQUEZ-ROUUACIJSA-N 1 1 461.586 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291763378 1064244309 /nfs/dbraw/zinc/24/43/09/1064244309.db2.gz WHZMYIQVWFCFOU-UWVAXJGDSA-N 1 1 494.482 2.923 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291763456 1064244370 /nfs/dbraw/zinc/24/43/70/1064244370.db2.gz XCXMROSIUANGQR-JLTOFOAXSA-N 1 1 466.428 2.728 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291763860 1064244811 /nfs/dbraw/zinc/24/48/11/1064244811.db2.gz YCGWGDKOQCRLNP-KRWDZBQOSA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001291765650 1064246897 /nfs/dbraw/zinc/24/68/97/1064246897.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001296141182 1064247001 /nfs/dbraw/zinc/24/70/01/1064247001.db2.gz BGSXTTXBSNMFLX-NBGIEHNGSA-N 1 1 473.618 2.937 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291766677 1064247977 /nfs/dbraw/zinc/24/79/77/1064247977.db2.gz DYLLLMPHPFGVFX-RTWAWAEBSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291766677 1064247988 /nfs/dbraw/zinc/24/79/88/1064247988.db2.gz DYLLLMPHPFGVFX-RTWAWAEBSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C2CCC2)C[C@H]1C ZINC001296141921 1064248000 /nfs/dbraw/zinc/24/80/00/1064248000.db2.gz HAAVMBVJSZDAAY-OAHLLOKOSA-N 1 1 478.439 2.873 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001296141948 1064248105 /nfs/dbraw/zinc/24/81/05/1064248105.db2.gz HCOPGBCDVPAKEV-SFHVURJKSA-N 1 1 464.561 2.799 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1C ZINC001296142127 1064248609 /nfs/dbraw/zinc/24/86/09/1064248609.db2.gz JOMTYSIFARWYKE-MOPGFXCFSA-N 1 1 473.622 2.674 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1C ZINC001296142128 1064248698 /nfs/dbraw/zinc/24/86/98/1064248698.db2.gz JOMTYSIFARWYKE-OALUTQOASA-N 1 1 473.622 2.674 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)C[C@H]1C ZINC001296142049 1064248741 /nfs/dbraw/zinc/24/87/41/1064248741.db2.gz IHGVTVPBKOZEOA-OAHLLOKOSA-N 1 1 456.547 2.846 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296142401 1064249680 /nfs/dbraw/zinc/24/96/80/1064249680.db2.gz KQQUQPLRUGGSAW-INIZCTEOSA-N 1 1 457.529 2.713 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001296142626 1064250029 /nfs/dbraw/zinc/25/00/29/1064250029.db2.gz DUVVTTJXXCYZLK-ZWKOTPCHSA-N 1 1 489.024 2.776 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CCN(CCOC)CC1 ZINC001291767894 1064250278 /nfs/dbraw/zinc/25/02/78/1064250278.db2.gz OYFZUBUNXOZPCM-FQEVSTJZSA-N 1 1 451.619 2.992 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001296143116 1064250505 /nfs/dbraw/zinc/25/05/05/1064250505.db2.gz FYYJXPXJPJWZQX-AZUAARDMSA-N 1 1 478.663 2.505 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250651 /nfs/dbraw/zinc/25/06/51/1064250651.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 1 1 454.623 2.576 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250658 /nfs/dbraw/zinc/25/06/58/1064250658.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 1 1 454.623 2.576 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001296142698 1064251000 /nfs/dbraw/zinc/25/10/00/1064251000.db2.gz MDJXMKHBQNAWED-OAHLLOKOSA-N 1 1 487.468 2.781 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001296143065 1064251458 /nfs/dbraw/zinc/25/14/58/1064251458.db2.gz OZQMENAHIGOJAP-WMZHIEFXSA-N 1 1 467.680 2.761 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001296143064 1064251623 /nfs/dbraw/zinc/25/16/23/1064251623.db2.gz OZQMENAHIGOJAP-CVDCTZTESA-N 1 1 467.680 2.761 20 0 JFADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2)CC1 ZINC001291769592 1064251875 /nfs/dbraw/zinc/25/18/75/1064251875.db2.gz DPKZYOSFNLZXTQ-UHFFFAOYSA-N 1 1 455.990 2.973 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC=CCC2)C[C@H]1C ZINC001296143256 1064251916 /nfs/dbraw/zinc/25/19/16/1064251916.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 1 1 472.037 2.654 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC=CCC2)C[C@H]1C ZINC001296143256 1064251926 /nfs/dbraw/zinc/25/19/26/1064251926.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 1 1 472.037 2.654 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](CCOC)C1 ZINC001291771153 1064252554 /nfs/dbraw/zinc/25/25/54/1064252554.db2.gz CLOPHXJZCZGQKH-OALUTQOASA-N 1 1 467.618 2.785 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 ZINC001291770989 1064252619 /nfs/dbraw/zinc/25/26/19/1064252619.db2.gz BMOOWRRBWPPRCH-QGZVFWFLSA-N 1 1 453.591 2.627 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291771258 1064253029 /nfs/dbraw/zinc/25/30/29/1064253029.db2.gz HJHKFLGKQPPLAO-LJQANCHMSA-N 1 1 454.623 2.694 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291771366 1064253342 /nfs/dbraw/zinc/25/33/42/1064253342.db2.gz DJNASLHEVHCZAO-FGZHOGPDSA-N 1 1 482.677 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(C)n2)C[C@H]1C ZINC001296144557 1064253805 /nfs/dbraw/zinc/25/38/05/1064253805.db2.gz ANQDBHQADMXCTR-MRXNPFEDSA-N 1 1 474.656 2.887 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254335 /nfs/dbraw/zinc/25/43/35/1064254335.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 1 1 465.440 2.816 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254340 /nfs/dbraw/zinc/25/43/40/1064254340.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 1 1 465.440 2.816 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001296144801 1064254353 /nfs/dbraw/zinc/25/43/53/1064254353.db2.gz WEOJQSRHROJTSZ-GOEBONIOSA-N 1 1 468.371 2.793 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291771908 1064254615 /nfs/dbraw/zinc/25/46/15/1064254615.db2.gz KIHYCVYZNUYNMH-SJORKVTESA-N 1 1 489.621 2.840 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001296145082 1064254845 /nfs/dbraw/zinc/25/48/45/1064254845.db2.gz CXTBWBCBTLZXBU-SJLPKXTDSA-N 1 1 464.408 2.962 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 ZINC001291772477 1064255670 /nfs/dbraw/zinc/25/56/70/1064255670.db2.gz OVJNEEILLCOJBM-MSOLQXFVSA-N 1 1 463.652 2.584 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 ZINC001291772478 1064255689 /nfs/dbraw/zinc/25/56/89/1064255689.db2.gz OVJNEEILLCOJBM-QZTJIDSGSA-N 1 1 463.652 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](OC)C1 ZINC001291772489 1064256241 /nfs/dbraw/zinc/25/62/41/1064256241.db2.gz PCLFLZANVZATGV-ROUUACIJSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2c[nH]nc2C)C[C@H]1C ZINC001296145936 1064256840 /nfs/dbraw/zinc/25/68/40/1064256840.db2.gz HIZOHSLQEARKTR-QGZVFWFLSA-N 1 1 471.631 2.543 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291772997 1064257288 /nfs/dbraw/zinc/25/72/88/1064257288.db2.gz DFPXTBPPPRBUCV-IFMALSPDSA-N 1 1 480.723 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772958 1064257341 /nfs/dbraw/zinc/25/73/41/1064257341.db2.gz CUTHSZBVLGXCGH-UTZODRGISA-N 1 1 480.723 2.611 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291773115 1064257887 /nfs/dbraw/zinc/25/78/87/1064257887.db2.gz UUNRADUSTWYHFG-RBUKOAKNSA-N 1 1 450.591 2.563 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001291773513 1064259038 /nfs/dbraw/zinc/25/90/38/1064259038.db2.gz WEEAXWDFZHUVCT-QFIPXVFZSA-N 1 1 482.677 2.595 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001296148226 1064259321 /nfs/dbraw/zinc/25/93/21/1064259321.db2.gz UOIOXNAWKWYOPV-AONNBLCTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)C[C@H]1C ZINC001296148226 1064259324 /nfs/dbraw/zinc/25/93/24/1064259324.db2.gz UOIOXNAWKWYOPV-AONNBLCTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773683 1064259801 /nfs/dbraw/zinc/25/98/01/1064259801.db2.gz IWTNOXQWJPJKIC-UXHICEINSA-N 1 1 472.638 2.684 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001296148325 1064259877 /nfs/dbraw/zinc/25/98/77/1064259877.db2.gz VTRCKDVDQBXHEN-KAGYGMCKSA-N 1 1 490.674 2.541 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001291773742 1064260232 /nfs/dbraw/zinc/26/02/32/1064260232.db2.gz VXCARMRAEYWIOP-IQOKHDRSSA-N 1 1 475.037 2.797 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001291773741 1064260316 /nfs/dbraw/zinc/26/03/16/1064260316.db2.gz VXCARMRAEYWIOP-GERBCZOESA-N 1 1 475.037 2.797 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260735 /nfs/dbraw/zinc/26/07/35/1064260735.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 1 1 486.661 2.994 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260740 /nfs/dbraw/zinc/26/07/40/1064260740.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(CC)C1 ZINC001291774041 1064261249 /nfs/dbraw/zinc/26/12/49/1064261249.db2.gz XDHWTKGFGHTZCF-AVRWGWEMSA-N 1 1 467.618 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001291774494 1064263091 /nfs/dbraw/zinc/26/30/91/1064263091.db2.gz OKZBSXPBKPSIKA-YSIASYRMSA-N 1 1 496.703 2.744 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774665 1064263148 /nfs/dbraw/zinc/26/31/48/1064263148.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 1 1 458.655 2.696 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774665 1064263156 /nfs/dbraw/zinc/26/31/56/1064263156.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 1 1 458.655 2.696 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001296153596 1064263295 /nfs/dbraw/zinc/26/32/95/1064263295.db2.gz BUQURVONPNAUCP-HNNXBMFYSA-N 1 1 461.496 2.791 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2C[C@@H](C)SC)c2ccccc2c1=O ZINC001296154242 1064264586 /nfs/dbraw/zinc/26/45/86/1064264586.db2.gz CDPJAFSWDLFUIB-DLBZAZTESA-N 1 1 455.632 2.957 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291775776 1064264842 /nfs/dbraw/zinc/26/48/42/1064264842.db2.gz ZMFWXRLWPVCTQK-SVMVAKDDSA-N 1 1 456.591 2.578 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775801 1064265024 /nfs/dbraw/zinc/26/50/24/1064265024.db2.gz ZQLPQOSHARDIQV-AVRDEDQJSA-N 1 1 491.658 2.924 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC001296154441 1064265107 /nfs/dbraw/zinc/26/51/07/1064265107.db2.gz FLSGLURCUCLIPT-SIBVEZHUSA-N 1 1 481.645 2.910 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCCCCCO)c2ccccc2c1=O ZINC001296154506 1064265471 /nfs/dbraw/zinc/26/54/71/1064265471.db2.gz GOMIGFRFKZGGCY-IBGZPJMESA-N 1 1 467.618 2.758 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001296154802 1064265863 /nfs/dbraw/zinc/26/58/63/1064265863.db2.gz KFYFVYNXEBVEDL-MOPGFXCFSA-N 1 1 470.622 2.913 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001296155710 1064267582 /nfs/dbraw/zinc/26/75/82/1064267582.db2.gz RZMONDDRJHPOFP-MHECFPHRSA-N 1 1 454.575 2.918 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001296155865 1064268180 /nfs/dbraw/zinc/26/81/80/1064268180.db2.gz SEPCMYXIHYBQIG-KXSVPLAASA-N 1 1 471.631 2.672 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@](=O)C(C)(C)C)C[C@H]1C ZINC001296155865 1064268190 /nfs/dbraw/zinc/26/81/90/1064268190.db2.gz SEPCMYXIHYBQIG-KXSVPLAASA-N 1 1 471.631 2.672 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291782421 1064271181 /nfs/dbraw/zinc/27/11/81/1064271181.db2.gz OVQAGZXWANOFFS-GMAHTHKFSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001291782421 1064271191 /nfs/dbraw/zinc/27/11/91/1064271191.db2.gz OVQAGZXWANOFFS-GMAHTHKFSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001291782583 1064272840 /nfs/dbraw/zinc/27/28/40/1064272840.db2.gz FLGUBMXSHIILSR-GAJHUEQPSA-N 1 1 461.010 2.957 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001296160811 1064274854 /nfs/dbraw/zinc/27/48/54/1064274854.db2.gz PMHJJDXILVICBZ-VAMGGRTRSA-N 1 1 463.671 2.873 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001291783297 1064275395 /nfs/dbraw/zinc/27/53/95/1064275395.db2.gz JUCQKIUGEWKUBL-PWIZWCRZSA-N 1 1 459.547 2.710 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001291783415 1064276343 /nfs/dbraw/zinc/27/63/43/1064276343.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001291783415 1064276355 /nfs/dbraw/zinc/27/63/55/1064276355.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784378 1064279013 /nfs/dbraw/zinc/27/90/13/1064279013.db2.gz GYSZBWNYEDTRFI-DLBZAZTESA-N 1 1 462.599 2.794 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001291784944 1064280576 /nfs/dbraw/zinc/28/05/76/1064280576.db2.gz SZNMFGXRRABOFM-VWPQPMDRSA-N 1 1 454.619 2.858 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291785012 1064280702 /nfs/dbraw/zinc/28/07/02/1064280702.db2.gz VCTLFWBULAAVAV-KRWDZBQOSA-N 1 1 467.611 2.740 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@@H]1C ZINC001296163958 1064281429 /nfs/dbraw/zinc/28/14/29/1064281429.db2.gz ZLDNMELZACRVQD-SFHVURJKSA-N 1 1 483.082 2.724 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296164673 1064281711 /nfs/dbraw/zinc/28/17/11/1064281711.db2.gz AQGPFCGMQZVQBR-KRWDZBQOSA-N 1 1 468.524 2.683 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC ZINC001291785921 1064281691 /nfs/dbraw/zinc/28/16/91/1064281691.db2.gz OCBSOWPMZYYZQZ-MSOLQXFVSA-N 1 1 465.643 2.653 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296164700 1064282352 /nfs/dbraw/zinc/28/23/52/1064282352.db2.gz BAQXNYLHHXCFNJ-HXUWFJFHSA-N 1 1 456.639 2.509 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001291785905 1064282302 /nfs/dbraw/zinc/28/23/02/1064282302.db2.gz YKTKMYWWXLCDKJ-GOSISDBHSA-N 1 1 490.599 2.897 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001291785896 1064282365 /nfs/dbraw/zinc/28/23/65/1064282365.db2.gz YDXQOCSNWRGWIJ-UGKGYDQZSA-N 1 1 469.638 2.664 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001291786201 1064282993 /nfs/dbraw/zinc/28/29/93/1064282993.db2.gz ZEVVWAAJZBDROT-GBESFXJTSA-N 1 1 460.648 2.863 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001291786303 1064283612 /nfs/dbraw/zinc/28/36/12/1064283612.db2.gz SCMXLRLKONOIKX-ZJOUEHCJSA-N 1 1 475.613 2.593 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C ZINC001291786491 1064283789 /nfs/dbraw/zinc/28/37/89/1064283789.db2.gz SWHVUAKGBSFMRB-LEWJYISDSA-N 1 1 461.699 2.829 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296164971 1064284129 /nfs/dbraw/zinc/28/41/29/1064284129.db2.gz GEBQOBAMXYRTIC-WOJBJXKFSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296166221 1064286922 /nfs/dbraw/zinc/28/69/22/1064286922.db2.gz NHBGFRHKKJANAT-FCHUYYIVSA-N 1 1 456.635 2.664 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001296166757 1064288533 /nfs/dbraw/zinc/28/85/33/1064288533.db2.gz PLIXHYNZGKTQOC-HNNXBMFYSA-N 1 1 489.422 2.819 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001296166757 1064288547 /nfs/dbraw/zinc/28/85/47/1064288547.db2.gz PLIXHYNZGKTQOC-HNNXBMFYSA-N 1 1 489.422 2.819 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001296166757 1064288559 /nfs/dbraw/zinc/28/85/59/1064288559.db2.gz PLIXHYNZGKTQOC-HNNXBMFYSA-N 1 1 489.422 2.819 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167112 1064289123 /nfs/dbraw/zinc/28/91/23/1064289123.db2.gz QRXZWNCVGZZFPG-VQTJNVASSA-N 1 1 473.691 2.922 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296167381 1064289631 /nfs/dbraw/zinc/28/96/31/1064289631.db2.gz SEYQGSCNVHKMLF-KRWDZBQOSA-N 1 1 484.626 2.866 20 0 JFADMO CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001296167346 1064290046 /nfs/dbraw/zinc/29/00/46/1064290046.db2.gz GLBDPLFOMXVULX-NRFANRHFSA-N 1 1 463.630 2.783 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)NC)C[C@H]1C ZINC001296167389 1064290924 /nfs/dbraw/zinc/29/09/24/1064290924.db2.gz SFPRTVDFXFKNSL-GOSISDBHSA-N 1 1 463.026 2.918 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001296172980 1064294808 /nfs/dbraw/zinc/29/48/08/1064294808.db2.gz DJTWAEGELLEUJP-QGZVFWFLSA-N 1 1 453.591 2.795 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296183 /nfs/dbraw/zinc/29/61/83/1064296183.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291794984 1064298372 /nfs/dbraw/zinc/29/83/72/1064298372.db2.gz FLDQLNGXOZARLU-IBGZPJMESA-N 1 1 490.674 2.574 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296173861 1064298526 /nfs/dbraw/zinc/29/85/26/1064298526.db2.gz MECWXJOHVNMSGE-UFYCRDLUSA-N 1 1 480.654 2.837 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296173860 1064298952 /nfs/dbraw/zinc/29/89/52/1064298952.db2.gz MECWXJOHVNMSGE-AABGKKOBSA-N 1 1 480.654 2.837 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001296175054 1064303732 /nfs/dbraw/zinc/30/37/32/1064303732.db2.gz VMLRFWQJVQXAON-HSZRJFAPSA-N 1 1 467.662 2.993 20 0 JFADMO CCN1CCN(C2CCN(c3nnc([C@H]4CCCCO4)n3CC[N@@H+](CC)C(C)C)CC2)C1=O ZINC001296178619 1064305789 /nfs/dbraw/zinc/30/57/89/1064305789.db2.gz BMDSTERPERJIGT-OAQYLSRUSA-N 1 1 461.655 2.976 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C)n3CC(CC)(CC)NC(=O)OC(C)(C)C)C2)CC1 ZINC001296178627 1064306671 /nfs/dbraw/zinc/30/66/71/1064306671.db2.gz ARRZSOIKBPXOAU-HXUWFJFHSA-N 1 1 463.671 2.886 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178946 1064307845 /nfs/dbraw/zinc/30/78/45/1064307845.db2.gz CPZWLYCHIKIPQR-YKSBVNFPSA-N 1 1 480.723 2.677 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CC(O)(CC)CC)C2)CC1 ZINC001296179848 1064309591 /nfs/dbraw/zinc/30/95/91/1064309591.db2.gz JEAOSXQFOPYCLB-NRFANRHFSA-N 1 1 456.635 2.721 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296180748 1064313016 /nfs/dbraw/zinc/31/30/16/1064313016.db2.gz QSYZCNBJKBRJBM-NRFANRHFSA-N 1 1 456.635 2.721 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181551 1064316298 /nfs/dbraw/zinc/31/62/98/1064316298.db2.gz XIENCHBQHALDBV-HXUWFJFHSA-N 1 1 461.655 2.677 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181764 1064317736 /nfs/dbraw/zinc/31/77/36/1064317736.db2.gz CEYHXTLZTBEAPT-BWKNWUBXSA-N 1 1 456.635 2.543 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)CC1 ZINC001296181857 1064319184 /nfs/dbraw/zinc/31/91/84/1064319184.db2.gz FOEPBCXDPVWGJO-NHRFMIRVSA-N 1 1 472.703 2.620 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001296181959 1064320408 /nfs/dbraw/zinc/32/04/08/1064320408.db2.gz IHTUWAGSAKJNSN-HXUWFJFHSA-N 1 1 471.625 2.563 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)COC)C2)CC1 ZINC001296182648 1064323975 /nfs/dbraw/zinc/32/39/75/1064323975.db2.gz VWHQQYACZMLPMF-JOCHJYFZSA-N 1 1 458.626 2.897 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296182922 1064325404 /nfs/dbraw/zinc/32/54/04/1064325404.db2.gz AZKUUYFXDGUKIC-SFTDATJTSA-N 1 1 487.718 2.963 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOCC2)CC1 ZINC001296182919 1064325552 /nfs/dbraw/zinc/32/55/52/1064325552.db2.gz AZCVNQDNDCNUCY-GOSISDBHSA-N 1 1 477.451 2.818 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183161 1064326625 /nfs/dbraw/zinc/32/66/25/1064326625.db2.gz YWFIPYUAPBALHC-OAQYLSRUSA-N 1 1 456.635 2.519 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296183515 1064329078 /nfs/dbraw/zinc/32/90/78/1064329078.db2.gz DXMVWGGLDTYTHZ-HXUWFJFHSA-N 1 1 491.631 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184052 1064330347 /nfs/dbraw/zinc/33/03/47/1064330347.db2.gz IPUMOYBSYGFYCO-QGZVFWFLSA-N 1 1 497.457 2.761 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184422 1064331808 /nfs/dbraw/zinc/33/18/08/1064331808.db2.gz KWENHIQGXBWDPM-JOCHJYFZSA-N 1 1 477.698 2.980 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296184424 1064331836 /nfs/dbraw/zinc/33/18/36/1064331836.db2.gz KXYUCVSHBAWKTA-AEFFLSMTSA-N 1 1 480.455 2.534 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296185989 1064333612 /nfs/dbraw/zinc/33/36/12/1064333612.db2.gz RQWHWTFQWNMQKM-PKOBYXMFSA-N 1 1 494.482 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296186679 1064334363 /nfs/dbraw/zinc/33/43/63/1064334363.db2.gz XWYFXPGMHIMNHB-IFMALSPDSA-N 1 1 486.661 2.851 20 0 JFADMO CC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001296188624 1064335437 /nfs/dbraw/zinc/33/54/37/1064335437.db2.gz NAHDLBIOSCBOCU-QFIPXVFZSA-N 1 1 457.596 2.681 20 0 JFADMO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(C)n1CCCCN1CC[NH+](CC)CC1 ZINC001296191750 1064342574 /nfs/dbraw/zinc/34/25/74/1064342574.db2.gz AGAPZJDWCHGIMT-UHFFFAOYSA-N 1 1 452.607 2.680 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192106 1064344005 /nfs/dbraw/zinc/34/40/05/1064344005.db2.gz MDKBGJNUNACYHJ-ATIYNZHBSA-N 1 1 469.678 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)CC1 ZINC001296192662 1064346689 /nfs/dbraw/zinc/34/66/89/1064346689.db2.gz GGALNXXMKLUGHL-OAQYLSRUSA-N 1 1 497.688 2.517 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296192904 1064348158 /nfs/dbraw/zinc/34/81/58/1064348158.db2.gz GWEOMNSFJBJSAC-KXEAFHOWSA-N 1 1 462.683 2.902 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193160 1064348971 /nfs/dbraw/zinc/34/89/71/1064348971.db2.gz HQCRARZZSUJHMY-PZJWPPBQSA-N 1 1 475.682 2.923 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291817329 1064349401 /nfs/dbraw/zinc/34/94/01/1064349401.db2.gz KGNKKCGACHETPL-QNWVGRARSA-N 1 1 468.646 2.639 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193410 1064351189 /nfs/dbraw/zinc/35/11/89/1064351189.db2.gz JHFHYZIXGKTTBN-UHFFFAOYSA-N 1 1 459.605 2.894 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193709 1064352666 /nfs/dbraw/zinc/35/26/66/1064352666.db2.gz PGBAQTUBISQRTO-BWKNWUBXSA-N 1 1 462.683 2.525 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193767 1064353355 /nfs/dbraw/zinc/35/33/55/1064353355.db2.gz QCZHXQSVHGJWQN-PXDATVDWSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001296194352 1064355341 /nfs/dbraw/zinc/35/53/41/1064355341.db2.gz RKYKWJWEYVKLLC-UNMCSNQZSA-N 1 1 456.683 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001296194350 1064355572 /nfs/dbraw/zinc/35/55/72/1064355572.db2.gz RKYKWJWEYVKLLC-RBBKRZOGSA-N 1 1 456.683 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194424 1064356100 /nfs/dbraw/zinc/35/61/00/1064356100.db2.gz SGTTXFKQCDTGDN-YADHBBJMSA-N 1 1 464.699 2.771 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296194691 1064356920 /nfs/dbraw/zinc/35/69/20/1064356920.db2.gz NWLMHZWWPYUNKA-FQEVSTJZSA-N 1 1 470.666 2.793 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296195191 1064358983 /nfs/dbraw/zinc/35/89/83/1064358983.db2.gz OMGZDGPEEJDBAZ-SFHVURJKSA-N 1 1 456.664 2.959 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195043 1064359063 /nfs/dbraw/zinc/35/90/63/1064359063.db2.gz UUXXRGFCLBJBNJ-YADHBBJMSA-N 1 1 456.683 2.553 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296195220 1064359944 /nfs/dbraw/zinc/35/99/44/1064359944.db2.gz OYJKNAUCDODKJC-KRWDZBQOSA-N 1 1 482.551 2.988 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822224 1064362092 /nfs/dbraw/zinc/36/20/92/1064362092.db2.gz ZFLNVUHYRYSZOO-RBUKOAKNSA-N 1 1 460.648 2.861 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195655 1064362639 /nfs/dbraw/zinc/36/26/39/1064362639.db2.gz WXOUFXQWNGEUDP-GBESFXJTSA-N 1 1 461.680 2.521 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291822339 1064363212 /nfs/dbraw/zinc/36/32/12/1064363212.db2.gz HQDSVLRVIOUOFM-SFHVURJKSA-N 1 1 484.674 2.828 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296195692 1064363425 /nfs/dbraw/zinc/36/34/25/1064363425.db2.gz QHSGFGMZCAXMRG-VQTJNVASSA-N 1 1 488.080 2.964 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195873 1064364401 /nfs/dbraw/zinc/36/44/01/1064364401.db2.gz RIMDIMVJLVGEMM-QFQXNSOFSA-N 1 1 486.709 2.809 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197005 1064371966 /nfs/dbraw/zinc/37/19/66/1064371966.db2.gz WPMCWIFZCMVKQF-REWPJTCUSA-N 1 1 470.662 2.973 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cn1 ZINC001291825678 1064372993 /nfs/dbraw/zinc/37/29/93/1064372993.db2.gz NZUWWHSKLOUTFA-SFHVURJKSA-N 1 1 453.930 2.773 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197383 1064373487 /nfs/dbraw/zinc/37/34/87/1064373487.db2.gz XQHZYCPADLOCHM-RCZVLFRGSA-N 1 1 462.683 2.829 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197385 1064373525 /nfs/dbraw/zinc/37/35/25/1064373525.db2.gz XQHZYCPADLOCHM-WIOPSUGQSA-N 1 1 462.683 2.829 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296202211 1064377217 /nfs/dbraw/zinc/37/72/17/1064377217.db2.gz BEYXQWQFYVDBSU-JOCHJYFZSA-N 1 1 458.655 2.534 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202542 1064377928 /nfs/dbraw/zinc/37/79/28/1064377928.db2.gz FEGQYIVBVNBBTG-NRFANRHFSA-N 1 1 471.650 2.712 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203904 1064384097 /nfs/dbraw/zinc/38/40/97/1064384097.db2.gz CZXSCDDNWZEKOF-SFTDATJTSA-N 1 1 450.697 2.922 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001296204166 1064385020 /nfs/dbraw/zinc/38/50/20/1064385020.db2.gz HJVNGZYLDSBXJI-UHFFFAOYSA-N 1 1 455.651 2.630 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296204172 1064385048 /nfs/dbraw/zinc/38/50/48/1064385048.db2.gz HPVQUNYFEMFJQO-UHFFFAOYSA-N 1 1 451.619 2.956 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296204639 1064387148 /nfs/dbraw/zinc/38/71/48/1064387148.db2.gz YGODQUMRSGVFPA-UHFFFAOYSA-N 1 1 451.623 2.646 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001291829513 1064387738 /nfs/dbraw/zinc/38/77/38/1064387738.db2.gz NEOZEDYNYJUTNE-HXUWFJFHSA-N 1 1 461.699 2.734 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205078 1064387765 /nfs/dbraw/zinc/38/77/65/1064387765.db2.gz WVPHGVMXIRPWOY-SIKLNZKXSA-N 1 1 471.625 2.983 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296204809 1064387803 /nfs/dbraw/zinc/38/78/03/1064387803.db2.gz LZUSMEJMYQPLCZ-UHFFFAOYSA-N 1 1 455.651 2.630 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296204952 1064388601 /nfs/dbraw/zinc/38/86/01/1064388601.db2.gz OCYKDAOGTWASCL-UHFFFAOYSA-N 1 1 494.610 2.751 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296205869 1064391692 /nfs/dbraw/zinc/39/16/92/1064391692.db2.gz DNXCRCGAEDLKDM-UHFFFAOYSA-N 1 1 453.591 2.914 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832256 1064395241 /nfs/dbraw/zinc/39/52/41/1064395241.db2.gz GBOSHXOBGQSNRN-FCHUYYIVSA-N 1 1 497.688 2.722 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296207334 1064397822 /nfs/dbraw/zinc/39/78/22/1064397822.db2.gz XRYRRIGZIQVLLM-UHFFFAOYSA-N 1 1 467.662 2.586 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296207603 1064398714 /nfs/dbraw/zinc/39/87/14/1064398714.db2.gz ZHLFAYFJRAPQAF-FQEVSTJZSA-N 1 1 472.634 2.605 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296207641 1064398834 /nfs/dbraw/zinc/39/88/34/1064398834.db2.gz ZWMNMASVFYINEM-GBXCKJPGSA-N 1 1 486.661 2.851 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296211286 1064401899 /nfs/dbraw/zinc/40/18/99/1064401899.db2.gz LSGBHLSHZNFTDB-FNZWTVRRSA-N 1 1 489.709 2.998 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001291834201 1064408650 /nfs/dbraw/zinc/40/86/50/1064408650.db2.gz VBXOHFZCNJEKDN-MOPGFXCFSA-N 1 1 489.068 2.515 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001291834337 1064409595 /nfs/dbraw/zinc/40/95/95/1064409595.db2.gz VXHIKAZPCYYGAC-IBGZPJMESA-N 1 1 476.069 2.975 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296214850 1064414471 /nfs/dbraw/zinc/41/44/71/1064414471.db2.gz PEINZEIRFWGXLN-NZQKXSOJSA-N 1 1 474.625 2.885 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296214853 1064414949 /nfs/dbraw/zinc/41/49/49/1064414949.db2.gz PEINZEIRFWGXLN-REWPJTCUSA-N 1 1 474.625 2.885 20 0 JFADMO CCn1nc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296221768 1064441795 /nfs/dbraw/zinc/44/17/95/1064441795.db2.gz IPLOVKJQPKOGTN-LJQANCHMSA-N 1 1 497.644 2.647 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001291845915 1064453551 /nfs/dbraw/zinc/45/35/51/1064453551.db2.gz UHBOFIVVVRKFQP-ACIOBRDBSA-N 1 1 489.686 2.944 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001296230833 1064464944 /nfs/dbraw/zinc/46/49/44/1064464944.db2.gz BWLMEEGECLBIPI-DENIHFKCSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291859114 1064468359 /nfs/dbraw/zinc/46/83/59/1064468359.db2.gz WSWQSTILMABJEN-QNWVGRARSA-N 1 1 467.662 2.513 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291859115 1064468468 /nfs/dbraw/zinc/46/84/68/1064468468.db2.gz WSWQSTILMABJEN-QZNHQXDQSA-N 1 1 467.662 2.513 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291859102 1064468533 /nfs/dbraw/zinc/46/85/33/1064468533.db2.gz WSWQSTILMABJEN-FUPPJEDESA-N 1 1 467.662 2.513 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291859917 1064469571 /nfs/dbraw/zinc/46/95/71/1064469571.db2.gz JGXXTXQJSGAHMR-CEWLAPEOSA-N 1 1 490.599 2.748 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291862177 1064471581 /nfs/dbraw/zinc/47/15/81/1064471581.db2.gz IPKRSGIMTJAVSU-GOTSBHOMSA-N 1 1 468.646 2.629 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291862844 1064473231 /nfs/dbraw/zinc/47/32/31/1064473231.db2.gz MDYCVLYNFPHJDY-UNIVCBNLSA-N 1 1 468.646 2.751 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291862898 1064474284 /nfs/dbraw/zinc/47/42/84/1064474284.db2.gz MVRYBJSDBUPRAQ-XLGIIRLISA-N 1 1 468.646 2.879 20 0 JFADMO CC[C@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291864501 1064478264 /nfs/dbraw/zinc/47/82/64/1064478264.db2.gz GVDMXOQMEASHIZ-CVDCTZTESA-N 1 1 494.562 2.800 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001296238907 1064484492 /nfs/dbraw/zinc/48/44/92/1064484492.db2.gz FKKLCDLZCHSYMS-UHFFFAOYSA-N 1 1 471.650 2.605 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001296239429 1064485184 /nfs/dbraw/zinc/48/51/84/1064485184.db2.gz JDWKQSTZXBFYFI-BVSLBCMMSA-N 1 1 495.672 2.881 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296241587 1064497634 /nfs/dbraw/zinc/49/76/34/1064497634.db2.gz RJHRLVDLGRDCPC-ROUUACIJSA-N 1 1 460.648 2.889 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001296242551 1064501437 /nfs/dbraw/zinc/50/14/37/1064501437.db2.gz WBBUJQBYUZYBJV-IBGZPJMESA-N 1 1 486.636 2.860 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291881746 1064504174 /nfs/dbraw/zinc/50/41/74/1064504174.db2.gz OPFTXYZNVWFMEL-HSZRJFAPSA-N 1 1 468.646 2.989 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291881747 1064504201 /nfs/dbraw/zinc/50/42/01/1064504201.db2.gz OPFTXYZNVWFMEL-QHCPKHFHSA-N 1 1 468.646 2.989 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296248050 1064507828 /nfs/dbraw/zinc/50/78/28/1064507828.db2.gz FCSIFARIRWBDPB-LJQANCHMSA-N 1 1 456.635 2.765 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887929 1064509789 /nfs/dbraw/zinc/50/97/89/1064509789.db2.gz LFSKBAPLIAALBL-LEWJYISDSA-N 1 1 454.619 2.633 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001296248698 1064509994 /nfs/dbraw/zinc/50/99/94/1064509994.db2.gz FQPPVDMEWUXUPZ-SFHVURJKSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887957 1064510350 /nfs/dbraw/zinc/51/03/50/1064510350.db2.gz LPUFMWXBZWNMSW-YTFSRNRJSA-N 1 1 468.646 2.879 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291890157 1064515518 /nfs/dbraw/zinc/51/55/18/1064515518.db2.gz BACHBDDYNNSDNV-ISKFKSNPSA-N 1 1 481.689 2.762 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(N2CCC[N@@H+](Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001296252210 1064515750 /nfs/dbraw/zinc/51/57/50/1064515750.db2.gz YOGUZASTYKRPMR-HHHXNRCGSA-N 1 1 498.672 2.805 20 0 JFADMO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1=CC[N@@H+](C)CC1 ZINC001296254823 1064516974 /nfs/dbraw/zinc/51/69/74/1064516974.db2.gz WHTCFFINWMSJMP-OAHLLOKOSA-N 1 1 459.534 2.873 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893010 1064521035 /nfs/dbraw/zinc/52/10/35/1064521035.db2.gz JLIPKRZHKRVIGS-VVZHRXSXSA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894882 1064524188 /nfs/dbraw/zinc/52/41/88/1064524188.db2.gz QWRRMYRILSLBKW-VXKWHMMOSA-N 1 1 474.675 2.822 20 0 JFADMO CCNC(=O)C1(Cn2c(-c3ccccc3C)nnc2N2CC[NH+](CCOCC)CC2)CCC1 ZINC001296260272 1064526206 /nfs/dbraw/zinc/52/62/06/1064526206.db2.gz PZCMPWCRFZAMSW-UHFFFAOYSA-N 1 1 454.619 2.718 20 0 JFADMO CC[C@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291895608 1064527177 /nfs/dbraw/zinc/52/71/77/1064527177.db2.gz XJCMUZUNNQIYDK-IRLDBZIGSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291895927 1064528063 /nfs/dbraw/zinc/52/80/63/1064528063.db2.gz ZPHPKYWBUKDLLZ-YADHBBJMSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291897098 1064528647 /nfs/dbraw/zinc/52/86/47/1064528647.db2.gz AQIKMZAIZMDTQW-RRJCBXKSSA-N 1 1 498.672 2.661 20 0 JFADMO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)CCC1 ZINC001296262815 1064528773 /nfs/dbraw/zinc/52/87/73/1064528773.db2.gz CJPGIJLSTSFJBQ-UXHICEINSA-N 1 1 460.667 2.720 20 0 JFADMO CCNC(=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CCC1 ZINC001296265632 1064533032 /nfs/dbraw/zinc/53/30/32/1064533032.db2.gz UHXUKKWOESKEAM-HXUWFJFHSA-N 1 1 454.619 2.736 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291904329 1064534838 /nfs/dbraw/zinc/53/48/38/1064534838.db2.gz ORBIHTTWZUERLB-BDKRGJGYSA-N 1 1 455.603 2.665 20 0 JFADMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001296269554 1064536990 /nfs/dbraw/zinc/53/69/90/1064536990.db2.gz YOMQZRUPHFCEAL-OAQYLSRUSA-N 1 1 456.587 2.855 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930842 1064548370 /nfs/dbraw/zinc/54/83/70/1064548370.db2.gz DQINTZZZYSDXLE-YMPZKCBVSA-N 1 1 490.693 2.756 20 0 JFADMO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001296279768 1064549673 /nfs/dbraw/zinc/54/96/73/1064549673.db2.gz GXWGBSGIDRTBSV-JOCHJYFZSA-N 1 1 459.612 2.602 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)OC ZINC001291932285 1064550069 /nfs/dbraw/zinc/55/00/69/1064550069.db2.gz GRXXCLDGGSLFAS-IBGZPJMESA-N 1 1 469.696 2.944 20 0 JFADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291933475 1064552391 /nfs/dbraw/zinc/55/23/91/1064552391.db2.gz HMXWMCCYIQJBFA-URXFXBBRSA-N 1 1 497.688 2.848 20 0 JFADMO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933474 1064552482 /nfs/dbraw/zinc/55/24/82/1064552482.db2.gz HMXWMCCYIQJBFA-QPPBQGQZSA-N 1 1 497.688 2.848 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001296283917 1064555834 /nfs/dbraw/zinc/55/58/34/1064555834.db2.gz YUQBMRUIHKBCTB-QFIPXVFZSA-N 1 1 468.646 2.966 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001291951855 1064564118 /nfs/dbraw/zinc/56/41/18/1064564118.db2.gz HTUATNALKIIUDT-GOTSBHOMSA-N 1 1 490.693 2.806 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001296289301 1064564053 /nfs/dbraw/zinc/56/40/53/1064564053.db2.gz RGSSGRFGJYXLKZ-HXUWFJFHSA-N 1 1 489.068 2.516 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCCOC1)[NH+]1CCOCC1 ZINC001291952647 1064565804 /nfs/dbraw/zinc/56/58/04/1064565804.db2.gz MUZUYKXVOAZWBE-RBBKRZOGSA-N 1 1 476.666 2.514 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296293508 1064569155 /nfs/dbraw/zinc/56/91/55/1064569155.db2.gz JFMYIIZAASSXMW-XPWALMASSA-N 1 1 489.709 2.536 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCN(CC3CC3)C(=O)OC(C)(C)C)cc2)CC1 ZINC001291959476 1064572682 /nfs/dbraw/zinc/57/26/82/1064572682.db2.gz TXZVUGWMXDWYOD-UHFFFAOYSA-N 1 1 458.603 2.979 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296302660 1064582986 /nfs/dbraw/zinc/58/29/86/1064582986.db2.gz QIHLLDKBPDDAES-QHAWAJNXSA-N 1 1 493.697 2.610 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001296306196 1064584679 /nfs/dbraw/zinc/58/46/79/1064584679.db2.gz HCKWOFCDTTZEMY-QGZVFWFLSA-N 1 1 477.560 2.882 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+](C)CCOC)CC1 ZINC001296306759 1064585703 /nfs/dbraw/zinc/58/57/03/1064585703.db2.gz NUJOQZIBCXRWJI-UHFFFAOYSA-N 1 1 471.650 2.672 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296307752 1064588523 /nfs/dbraw/zinc/58/85/23/1064588523.db2.gz NLHJJMLPMMRWGE-QFIPXVFZSA-N 1 1 499.660 2.934 20 0 JFADMO CC[N@@H+](CCNC(=O)c1ccc2ncc(I)n2c1)CCC(F)(F)F ZINC001296309851 1064590569 /nfs/dbraw/zinc/59/05/69/1064590569.db2.gz ITWHTRYCHQRCTD-UHFFFAOYSA-N 1 1 454.234 2.943 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)on1 ZINC001291976718 1064592813 /nfs/dbraw/zinc/59/28/13/1064592813.db2.gz FUJKYJMGEAUJOR-LJQANCHMSA-N 1 1 473.622 2.716 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)on1 ZINC001291976718 1064592827 /nfs/dbraw/zinc/59/28/27/1064592827.db2.gz FUJKYJMGEAUJOR-LJQANCHMSA-N 1 1 473.622 2.716 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001296318013 1064600017 /nfs/dbraw/zinc/60/00/17/1064600017.db2.gz DOFIVXXDLCFEMZ-DEOSSOPVSA-N 1 1 497.688 2.662 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@]3(O)CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001291988728 1064603241 /nfs/dbraw/zinc/60/32/41/1064603241.db2.gz AFBWZXUTGQCRAP-UNVFRBQDSA-N 1 1 451.567 2.902 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COc3ccccc3OCC)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001296325456 1064616362 /nfs/dbraw/zinc/61/63/62/1064616362.db2.gz WSJRSILPTBSSCO-OAQYLSRUSA-N 1 1 499.660 2.982 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016180 1064648505 /nfs/dbraw/zinc/64/85/05/1064648505.db2.gz DDOABSWIYACRIY-DENIHFKCSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001292015866 1064648562 /nfs/dbraw/zinc/64/85/62/1064648562.db2.gz BDDWMCADRIBHPB-RDJZCZTQSA-N 1 1 474.572 2.942 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001292016613 1064650201 /nfs/dbraw/zinc/65/02/01/1064650201.db2.gz HDBMIQKTLBRHMY-SFYKDHMMSA-N 1 1 468.646 2.904 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCc1ccccc1 ZINC001292018347 1064653081 /nfs/dbraw/zinc/65/30/81/1064653081.db2.gz QSRASLCMCSPUIV-NZQKXSOJSA-N 1 1 468.646 2.986 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1F ZINC001292018288 1064653158 /nfs/dbraw/zinc/65/31/58/1064653158.db2.gz QDKZXDTVUUBGBQ-HRAATJIYSA-N 1 1 476.572 2.680 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCc1ccsc1 ZINC001292018283 1064653256 /nfs/dbraw/zinc/65/32/56/1064653256.db2.gz PZYREXBCFGIXFO-YLJYHZDGSA-N 1 1 460.648 2.658 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020471 1064659522 /nfs/dbraw/zinc/65/95/22/1064659522.db2.gz HQSKIWUHQLYHIC-MSOLQXFVSA-N 1 1 487.624 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC001292024867 1064674726 /nfs/dbraw/zinc/67/47/26/1064674726.db2.gz GEYMELPQRQKDCA-DENIHFKCSA-N 1 1 472.609 2.931 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC001292024870 1064674764 /nfs/dbraw/zinc/67/47/64/1064674764.db2.gz GEYMELPQRQKDCA-SIKLNZKXSA-N 1 1 472.609 2.931 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001292035412 1064696233 /nfs/dbraw/zinc/69/62/33/1064696233.db2.gz FHYGPBTZQWAUOG-UHFFFAOYSA-N 1 1 473.666 2.542 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(C)(C)SC ZINC001292040502 1064705116 /nfs/dbraw/zinc/70/51/16/1064705116.db2.gz GGXKFQNDJVVBTQ-JOCHJYFZSA-N 1 1 452.669 2.639 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001292052834 1064717515 /nfs/dbraw/zinc/71/75/15/1064717515.db2.gz HANOQFUQEZOFLN-JOCHJYFZSA-N 1 1 487.693 2.908 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCCO3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292053709 1064719058 /nfs/dbraw/zinc/71/90/58/1064719058.db2.gz RPAXODRWZKQQKY-XZOQPEGZSA-N 1 1 490.693 2.949 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292054791 1064722022 /nfs/dbraw/zinc/72/20/22/1064722022.db2.gz JWELJTLFVVVMJP-FQEVSTJZSA-N 1 1 456.639 2.651 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1(SC)CCC1 ZINC001292056285 1064726530 /nfs/dbraw/zinc/72/65/30/1064726530.db2.gz ZEBPXJKCIPRDLI-SFHVURJKSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292064550 1064738868 /nfs/dbraw/zinc/73/88/68/1064738868.db2.gz BCLDWADUGDPQGX-IBGZPJMESA-N 1 1 496.722 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292066073 1064743446 /nfs/dbraw/zinc/74/34/46/1064743446.db2.gz JIVVMJWRBNQYIM-AVRWGWEMSA-N 1 1 472.609 2.918 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292070555 1064749659 /nfs/dbraw/zinc/74/96/59/1064749659.db2.gz OCCVOSLDBYJBLF-UXHICEINSA-N 1 1 487.693 2.766 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072393 1064751328 /nfs/dbraw/zinc/75/13/28/1064751328.db2.gz RALXRFIMTJUAOG-FPTDNZKUSA-N 1 1 452.958 2.873 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292078313 1064760779 /nfs/dbraw/zinc/76/07/79/1064760779.db2.gz DOFYGKKQKMNECY-FCEUIQTBSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292086782 1064770080 /nfs/dbraw/zinc/77/00/80/1064770080.db2.gz WJYGZNHVFYVKRX-IRXDYDNUSA-N 1 1 474.572 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001292092635 1064780461 /nfs/dbraw/zinc/78/04/61/1064780461.db2.gz YQOAOJOUAPAEQV-NHCUHLMSSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001292092634 1064780605 /nfs/dbraw/zinc/78/06/05/1064780605.db2.gz YQOAOJOUAPAEQV-LEWJYISDSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)n1CC[NH+]1CCSCC1 ZINC001292094752 1064785649 /nfs/dbraw/zinc/78/56/49/1064785649.db2.gz PFLPYOYOGCIPOM-PMACEKPBSA-N 1 1 478.707 2.888 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095137 1064786388 /nfs/dbraw/zinc/78/63/88/1064786388.db2.gz TWTBMGDPRJNGDQ-NHCUHLMSSA-N 1 1 490.693 2.829 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292095403 1064787329 /nfs/dbraw/zinc/78/73/29/1064787329.db2.gz XQNFXDABUDZVIF-HKUYNNGSSA-N 1 1 472.638 2.831 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC001292098388 1064789199 /nfs/dbraw/zinc/78/91/99/1064789199.db2.gz QYNZYGSJHAOHNI-PHIMTYICSA-N 1 1 451.207 2.676 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001292101935 1064792441 /nfs/dbraw/zinc/79/24/41/1064792441.db2.gz SRVCLTDYVIBGHT-SFTDATJTSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001292101935 1064792454 /nfs/dbraw/zinc/79/24/54/1064792454.db2.gz SRVCLTDYVIBGHT-SFTDATJTSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001292104420 1064797020 /nfs/dbraw/zinc/79/70/20/1064797020.db2.gz FICNDGAMJYCEBS-ICSRJNTNSA-N 1 1 474.629 2.781 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001292104911 1064797781 /nfs/dbraw/zinc/79/77/81/1064797781.db2.gz KNUQIMNDOUNSOS-FQEVSTJZSA-N 1 1 473.666 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292106575 1064804308 /nfs/dbraw/zinc/80/43/08/1064804308.db2.gz XXEMGRZMZAAYBG-SFHVURJKSA-N 1 1 473.588 2.755 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001292110301 1064812847 /nfs/dbraw/zinc/81/28/47/1064812847.db2.gz PXLHLLRDDOBUPN-FQEVSTJZSA-N 1 1 484.645 2.692 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001292110301 1064812864 /nfs/dbraw/zinc/81/28/64/1064812864.db2.gz PXLHLLRDDOBUPN-FQEVSTJZSA-N 1 1 484.645 2.692 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC1CCOCC1 ZINC001292110414 1064813561 /nfs/dbraw/zinc/81/35/61/1064813561.db2.gz QXXGYRVWDIUTTE-NRFANRHFSA-N 1 1 476.666 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCn1cc[nH+]c1C ZINC001292116715 1064840156 /nfs/dbraw/zinc/84/01/56/1064840156.db2.gz TYQXNBSCLIHVOT-UHFFFAOYSA-N 1 1 468.581 2.867 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001292123329 1064861021 /nfs/dbraw/zinc/86/10/21/1064861021.db2.gz CNWWIZGYZXRAMX-OAQYLSRUSA-N 1 1 497.688 2.920 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCOC[C@@H]1OC ZINC001292123627 1064862460 /nfs/dbraw/zinc/86/24/60/1064862460.db2.gz HBBHOFCMMHGCLH-SSPYTLHUSA-N 1 1 498.672 2.959 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292126439 1064875654 /nfs/dbraw/zinc/87/56/54/1064875654.db2.gz QCOAOOMBMWGBKZ-IBGZPJMESA-N 1 1 473.666 2.520 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1sc(C)nc1C ZINC001292126875 1064878688 /nfs/dbraw/zinc/87/86/88/1064878688.db2.gz QYBCVEBXONBOLP-IBGZPJMESA-N 1 1 475.663 2.619 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H]1CSCCS1 ZINC001292132147 1064885160 /nfs/dbraw/zinc/88/51/60/1064885160.db2.gz DVXVBKMDMFMJFT-ZWKOTPCHSA-N 1 1 452.694 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(CSC)cc1 ZINC001292133763 1064888915 /nfs/dbraw/zinc/88/89/15/1064888915.db2.gz LBGNUJCKTNEOBT-OAQYLSRUSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(CSC)cc1 ZINC001292133763 1064888935 /nfs/dbraw/zinc/88/89/35/1064888935.db2.gz LBGNUJCKTNEOBT-OAQYLSRUSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001292133886 1064890079 /nfs/dbraw/zinc/89/00/79/1064890079.db2.gz KOEOXUDZTLMQGX-NHCUHLMSSA-N 1 1 473.666 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCc1ccc(C)cc1C ZINC001292134358 1064894176 /nfs/dbraw/zinc/89/41/76/1064894176.db2.gz SGIIABVHMNMYTA-QFIPXVFZSA-N 1 1 454.619 2.577 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCc1ccc(C)cc1C ZINC001292134358 1064894190 /nfs/dbraw/zinc/89/41/90/1064894190.db2.gz SGIIABVHMNMYTA-QFIPXVFZSA-N 1 1 454.619 2.577 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292135406 1064900326 /nfs/dbraw/zinc/90/03/26/1064900326.db2.gz KFLYBUDNVRCMOA-CEXWTWQISA-N 1 1 464.655 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292136231 1064903032 /nfs/dbraw/zinc/90/30/32/1064903032.db2.gz QWXHFQJMOMIOQR-IDISGSTGSA-N 1 1 498.672 2.917 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001292145255 1064918364 /nfs/dbraw/zinc/91/83/64/1064918364.db2.gz SQEJBKRCCNAEJL-PKOBYXMFSA-N 1 1 475.663 2.963 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001292154289 1064933173 /nfs/dbraw/zinc/93/31/73/1064933173.db2.gz ULLZAPCPTBJVDU-QFIPXVFZSA-N 1 1 454.619 2.870 20 0 JFADMO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)Oc1ccccc1F ZINC001292160616 1064943443 /nfs/dbraw/zinc/94/34/43/1064943443.db2.gz RJCUMTNHSSCDJW-VQTJNVASSA-N 1 1 488.608 2.668 20 0 JFADMO CC[C@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292163474 1064949142 /nfs/dbraw/zinc/94/91/42/1064949142.db2.gz NYKFAOZCBJDUIS-SIKLNZKXSA-N 1 1 474.675 2.709 20 0 JFADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)C(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292199748 1064991024 /nfs/dbraw/zinc/99/10/24/1064991024.db2.gz QBZICEBNGLRNCX-XXBNENTESA-N 1 1 461.614 2.995 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC001292206709 1064994900 /nfs/dbraw/zinc/99/49/00/1064994900.db2.gz GLVGXIODYVXEMA-DENIHFKCSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC)[N@H+]1CCc2ccccc2C1 ZINC001292206709 1064994909 /nfs/dbraw/zinc/99/49/09/1064994909.db2.gz GLVGXIODYVXEMA-DENIHFKCSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001292208923 1064998366 /nfs/dbraw/zinc/99/83/66/1064998366.db2.gz RETZGVDGEFWSIA-ICSRJNTNSA-N 1 1 469.565 2.889 20 0 JFADMO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001292208922 1064998519 /nfs/dbraw/zinc/99/85/19/1064998519.db2.gz RETZGVDGEFWSIA-AZUAARDMSA-N 1 1 469.565 2.889 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208848 1064998543 /nfs/dbraw/zinc/99/85/43/1064998543.db2.gz GBEDPTIOCZTAHX-QUCCMNQESA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208848 1064998551 /nfs/dbraw/zinc/99/85/51/1064998551.db2.gz GBEDPTIOCZTAHX-QUCCMNQESA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211924 1065001939 /nfs/dbraw/zinc/00/19/39/1065001939.db2.gz ZVKNBMOKBYHFOF-HDAAZOAOSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211924 1065001957 /nfs/dbraw/zinc/00/19/57/1065001957.db2.gz ZVKNBMOKBYHFOF-HDAAZOAOSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211925 1065001978 /nfs/dbraw/zinc/00/19/78/1065001978.db2.gz ZVKNBMOKBYHFOF-JTJHWIPRSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC001292211925 1065001993 /nfs/dbraw/zinc/00/19/93/1065001993.db2.gz ZVKNBMOKBYHFOF-JTJHWIPRSA-N 1 1 488.608 2.771 20 0 JFADMO CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@@H+](CC)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212057 1065002447 /nfs/dbraw/zinc/00/24/47/1065002447.db2.gz OKGZCGJWIMHWMU-SJORKVTESA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292219339 1065006778 /nfs/dbraw/zinc/00/67/78/1065006778.db2.gz NEBFZXDQEHQIHG-QHAWAJNXSA-N 1 1 492.665 2.634 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001292231171 1065017964 /nfs/dbraw/zinc/01/79/64/1065017964.db2.gz RMMDQYZPYGLPCP-CDNPAEQRSA-N 1 1 489.064 2.936 20 0 JFADMO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001292231174 1065018151 /nfs/dbraw/zinc/01/81/51/1065018151.db2.gz RMMDQYZPYGLPCP-YSZBQJHXSA-N 1 1 489.064 2.936 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C ZINC001292243898 1065027190 /nfs/dbraw/zinc/02/71/90/1065027190.db2.gz PZDDTORFXUVNDC-VXKWHMMOSA-N 1 1 499.660 2.868 20 0 JFADMO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)OC ZINC001292254864 1065037667 /nfs/dbraw/zinc/03/76/67/1065037667.db2.gz HTBUIWVCUGCEKP-PBQROFAYSA-N 1 1 492.665 2.775 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292261277 1065040651 /nfs/dbraw/zinc/04/06/51/1065040651.db2.gz HXEVNZVZPMTZCT-HBMCJLEFSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292264480 1065044213 /nfs/dbraw/zinc/04/42/13/1065044213.db2.gz QXGGOPNQDWKAJS-FCHUYYIVSA-N 1 1 475.659 2.837 20 0 JFADMO CC[C@@H](Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292264480 1065044224 /nfs/dbraw/zinc/04/42/24/1065044224.db2.gz QXGGOPNQDWKAJS-FCHUYYIVSA-N 1 1 475.659 2.837 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292286141 1065059891 /nfs/dbraw/zinc/05/98/91/1065059891.db2.gz SJGGVIYVYJIRIT-UHFFFAOYSA-N 1 1 450.653 2.732 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292286141 1065059901 /nfs/dbraw/zinc/05/99/01/1065059901.db2.gz SJGGVIYVYJIRIT-UHFFFAOYSA-N 1 1 450.653 2.732 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292286392 1065060395 /nfs/dbraw/zinc/06/03/95/1065060395.db2.gz XHWJVGLCKBLMNW-UHFFFAOYSA-N 1 1 482.673 2.863 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292286392 1065060411 /nfs/dbraw/zinc/06/04/11/1065060411.db2.gz XHWJVGLCKBLMNW-UHFFFAOYSA-N 1 1 482.673 2.863 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001292304934 1065075183 /nfs/dbraw/zinc/07/51/83/1065075183.db2.gz OGDBIVIOSNNDTQ-UMEGOILYSA-N 1 1 460.667 2.957 20 0 JFADMO CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001292315808 1065082698 /nfs/dbraw/zinc/08/26/98/1065082698.db2.gz AMDSLOSPAAMQQD-BWKNWUBXSA-N 1 1 454.619 2.658 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001292332290 1065088599 /nfs/dbraw/zinc/08/85/99/1065088599.db2.gz RHPMOUKFVOPDLF-PQNGQFLHSA-N 1 1 496.722 2.892 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001292344850 1065092883 /nfs/dbraw/zinc/09/28/83/1065092883.db2.gz BNGPUPRRZGFFIC-GTCCEBARSA-N 1 1 499.081 2.850 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421060 1065153654 /nfs/dbraw/zinc/15/36/54/1065153654.db2.gz YSNAHQJQTXLMGQ-UXLLHSPISA-N 1 1 450.536 2.660 20 0 JFADMO C[C@H](NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454321 1065176208 /nfs/dbraw/zinc/17/62/08/1065176208.db2.gz MPLFQMIXMDVIEI-FNZWTVRRSA-N 1 1 450.583 2.757 20 0 JFADMO CCc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001292459996 1065187150 /nfs/dbraw/zinc/18/71/50/1065187150.db2.gz WDXBRJSLNQQNJO-IFMALSPDSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC001292460001 1065187205 /nfs/dbraw/zinc/18/72/05/1065187205.db2.gz WDXBRJSLNQQNJO-RBBKRZOGSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292460583 1065189119 /nfs/dbraw/zinc/18/91/19/1065189119.db2.gz IXHTWRQWCTVJKI-FSSWDIPSSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292471344 1065197236 /nfs/dbraw/zinc/19/72/36/1065197236.db2.gz FEYVLHSRASGFEN-RUZDIDTESA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292471344 1065197241 /nfs/dbraw/zinc/19/72/41/1065197241.db2.gz FEYVLHSRASGFEN-RUZDIDTESA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(=O)NCc2ccco2)cc1 ZINC001292472402 1065198423 /nfs/dbraw/zinc/19/84/23/1065198423.db2.gz XLDMIXVPCZKSIT-UHFFFAOYSA-N 1 1 480.613 2.964 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(=O)NCc2ccco2)cc1 ZINC001292472402 1065198432 /nfs/dbraw/zinc/19/84/32/1065198432.db2.gz XLDMIXVPCZKSIT-UHFFFAOYSA-N 1 1 480.613 2.964 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292477915 1065201814 /nfs/dbraw/zinc/20/18/14/1065201814.db2.gz DCZNBAMPMWHXIE-KNQAVFIVSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292479479 1065203645 /nfs/dbraw/zinc/20/36/45/1065203645.db2.gz NPIAIBZYIJJMFW-SIKLNZKXSA-N 1 1 468.646 2.827 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001292494627 1065212663 /nfs/dbraw/zinc/21/26/63/1065212663.db2.gz GREULLMHTIPSTR-UHFFFAOYSA-N 1 1 468.646 2.971 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001292494627 1065212679 /nfs/dbraw/zinc/21/26/79/1065212679.db2.gz GREULLMHTIPSTR-UHFFFAOYSA-N 1 1 468.646 2.971 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001292495279 1065213219 /nfs/dbraw/zinc/21/32/19/1065213219.db2.gz SICLARYRSSQFCD-UHFFFAOYSA-N 1 1 467.662 2.625 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001292495279 1065213232 /nfs/dbraw/zinc/21/32/32/1065213232.db2.gz SICLARYRSSQFCD-UHFFFAOYSA-N 1 1 467.662 2.625 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001292495279 1065213243 /nfs/dbraw/zinc/21/32/43/1065213243.db2.gz SICLARYRSSQFCD-UHFFFAOYSA-N 1 1 467.662 2.625 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(COC)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001292500440 1065220565 /nfs/dbraw/zinc/22/05/65/1065220565.db2.gz SZBKSFCVTDYMRL-UHFFFAOYSA-N 1 1 454.619 2.534 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001292507072 1065224651 /nfs/dbraw/zinc/22/46/51/1065224651.db2.gz IEJRTFPZVSDKEG-HXUWFJFHSA-N 1 1 462.664 2.613 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)COC)cc1 ZINC001292512450 1065230293 /nfs/dbraw/zinc/23/02/93/1065230293.db2.gz MFJROWMLQJLCIX-NRFANRHFSA-N 1 1 468.646 2.925 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)COC)cc1 ZINC001292512450 1065230298 /nfs/dbraw/zinc/23/02/98/1065230298.db2.gz MFJROWMLQJLCIX-NRFANRHFSA-N 1 1 468.646 2.925 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513197 1065232184 /nfs/dbraw/zinc/23/21/84/1065232184.db2.gz AGZRBOAYPRXGAY-NFBKMPQASA-N 1 1 495.672 2.555 20 0 JFADMO O=C(c1c(F)ccc(I)c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001292515688 1065236832 /nfs/dbraw/zinc/23/68/32/1065236832.db2.gz UQJAGDYZAIQPIW-STQMWFEESA-N 1 1 452.695 2.755 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001292516464 1065237411 /nfs/dbraw/zinc/23/74/11/1065237411.db2.gz SRQVHZLSGSCTNH-DHIUTWEWSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001292517646 1065239438 /nfs/dbraw/zinc/23/94/38/1065239438.db2.gz GSWFKVUGLOKLMR-UHFFFAOYSA-N 1 1 481.689 2.982 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245450 /nfs/dbraw/zinc/24/54/50/1065245450.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 1 1 470.662 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCCNS(C)(=O)=O)cc1 ZINC001292520521 1065245932 /nfs/dbraw/zinc/24/59/32/1065245932.db2.gz MIRUADDLCHTRKM-UHFFFAOYSA-N 1 1 488.683 2.831 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)N(CC)C(=O)[C@H]4C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292524372 1065249565 /nfs/dbraw/zinc/24/95/65/1065249565.db2.gz DUGXMYMSDWKFTC-OAQYLSRUSA-N 1 1 467.618 2.711 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001292524401 1065249591 /nfs/dbraw/zinc/24/95/91/1065249591.db2.gz FKAOTCGPLCLQJP-IPJJNNNSSA-N 1 1 454.619 2.579 20 0 JFADMO Cn1nc(I)cc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001292541205 1065263038 /nfs/dbraw/zinc/26/30/38/1065263038.db2.gz RJIHFYLDDFYCHI-UHFFFAOYSA-N 1 1 452.340 2.805 20 0 JFADMO CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292542989 1065264805 /nfs/dbraw/zinc/26/48/05/1065264805.db2.gz ZNQDIGKAZDVBEZ-DHIUTWEWSA-N 1 1 468.646 2.924 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292578343 1065290542 /nfs/dbraw/zinc/29/05/42/1065290542.db2.gz IDGCNKDDTAMKRH-FQEVSTJZSA-N 1 1 467.618 2.522 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292579391 1065293877 /nfs/dbraw/zinc/29/38/77/1065293877.db2.gz UQQIPUPEUXECFV-IRLDBZIGSA-N 1 1 484.645 2.920 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)Cc2c(C)noc2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001292584381 1065299910 /nfs/dbraw/zinc/29/99/10/1065299910.db2.gz RCYXPYTZFHJHDH-DEOSSOPVSA-N 1 1 454.575 2.727 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292589229 1065305380 /nfs/dbraw/zinc/30/53/80/1065305380.db2.gz JMFPVPAJJXEZAO-RBBKRZOGSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292589229 1065305390 /nfs/dbraw/zinc/30/53/90/1065305390.db2.gz JMFPVPAJJXEZAO-RBBKRZOGSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(CC(=O)NC)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292598330 1065319137 /nfs/dbraw/zinc/31/91/37/1065319137.db2.gz JHALQUAHSWDGNK-UHFFFAOYSA-N 1 1 498.672 2.883 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292606613 1065332642 /nfs/dbraw/zinc/33/26/42/1065332642.db2.gz SBPYDAJRNHPYOL-PZJWPPBQSA-N 1 1 475.659 2.775 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CCCCn1cc[nH+]c1C ZINC001292610224 1065338135 /nfs/dbraw/zinc/33/81/35/1065338135.db2.gz NARVALFWPCMVIJ-UHFFFAOYSA-N 1 1 480.617 2.866 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616013 1065349965 /nfs/dbraw/zinc/34/99/65/1065349965.db2.gz WYJURFVKUOPITE-NRFANRHFSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292619808 1065356680 /nfs/dbraw/zinc/35/66/80/1065356680.db2.gz PMQZGPZAVWCQLO-ZDXQCDESSA-N 1 1 484.689 2.900 20 0 JFADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634348 1065372403 /nfs/dbraw/zinc/37/24/03/1065372403.db2.gz CABBNAXHYCCBMK-NRFANRHFSA-N 1 1 458.603 2.652 20 0 JFADMO C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001292641945 1065377359 /nfs/dbraw/zinc/37/73/59/1065377359.db2.gz MSFLYERJCUYHHJ-KSFYIVLOSA-N 1 1 452.983 2.791 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001292678511 1065417742 /nfs/dbraw/zinc/41/77/42/1065417742.db2.gz NPMUKFNBXPJDAT-UZUQRXQVSA-N 1 1 455.632 2.855 20 0 JFADMO Cc1cc(C2(C(=O)NCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)CCOCC2)on1 ZINC001292706712 1065461660 /nfs/dbraw/zinc/46/16/60/1065461660.db2.gz SIBZYRMGXOMLNL-UHFFFAOYSA-N 1 1 457.571 2.837 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292720643 1065481535 /nfs/dbraw/zinc/48/15/35/1065481535.db2.gz LHUYXQCTFMTDLF-IAGOWNOFSA-N 1 1 483.708 2.664 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)cs1 ZINC001292727335 1065487363 /nfs/dbraw/zinc/48/73/63/1065487363.db2.gz VZBXBAILDLXNFS-UHFFFAOYSA-N 1 1 471.606 2.904 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)cs1 ZINC001292727797 1065488350 /nfs/dbraw/zinc/48/83/50/1065488350.db2.gz BPZOSWPFEZOMIF-SFHVURJKSA-N 1 1 471.679 2.608 20 0 JFADMO C[N@@H+](CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)[C@@H]1CCC[C@H]1O ZINC001292741982 1065502195 /nfs/dbraw/zinc/50/21/95/1065502195.db2.gz MENJLZICVVOMRS-IAGOWNOFSA-N 1 1 464.326 2.962 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292759201 1065514880 /nfs/dbraw/zinc/51/48/80/1065514880.db2.gz BSHQQNILQBXTFK-KDURUIRLSA-N 1 1 466.634 2.792 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292759201 1065514890 /nfs/dbraw/zinc/51/48/90/1065514890.db2.gz BSHQQNILQBXTFK-KDURUIRLSA-N 1 1 466.634 2.792 20 0 JFADMO CCc1nnc(Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](CCOC)CC2)s1 ZINC001292790400 1065551358 /nfs/dbraw/zinc/55/13/58/1065551358.db2.gz FNDAVFWAPZEKFJ-UHFFFAOYSA-N 1 1 478.022 2.838 20 0 JFADMO CCc1nnc(N(C)Cc2nc(CCOC)no2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001292843199 1065574244 /nfs/dbraw/zinc/57/42/44/1065574244.db2.gz JAIHYODTTHOOLF-UHFFFAOYSA-N 1 1 453.591 2.886 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001292863001 1065578278 /nfs/dbraw/zinc/57/82/78/1065578278.db2.gz DJECWKDPNOFFPT-UHFFFAOYSA-N 1 1 450.628 2.787 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001292863001 1065578287 /nfs/dbraw/zinc/57/82/87/1065578287.db2.gz DJECWKDPNOFFPT-UHFFFAOYSA-N 1 1 450.628 2.787 20 0 JFADMO CCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292867452 1065580319 /nfs/dbraw/zinc/58/03/19/1065580319.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 1 1 472.682 2.594 20 0 JFADMO CCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292867452 1065580330 /nfs/dbraw/zinc/58/03/30/1065580330.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 1 1 472.682 2.594 20 0 JFADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)CC2)oc1C ZINC001292880669 1065584492 /nfs/dbraw/zinc/58/44/92/1065584492.db2.gz KVNBKLYEBKKMOS-OAQYLSRUSA-N 1 1 453.587 2.635 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OCC(C)C)cc1 ZINC001292892202 1065589204 /nfs/dbraw/zinc/58/92/04/1065589204.db2.gz AIVFPNCKLMPZEW-YKSBVNFPSA-N 1 1 468.646 2.912 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292892407 1065589741 /nfs/dbraw/zinc/58/97/41/1065589741.db2.gz DMVXFRRFLZVDLW-CRAIPNDOSA-N 1 1 451.518 2.656 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892895 1065591941 /nfs/dbraw/zinc/59/19/41/1065591941.db2.gz IRDKDPFEJXNHBG-SXLOBPIMSA-N 1 1 450.697 2.997 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001292893418 1065594358 /nfs/dbraw/zinc/59/43/58/1065594358.db2.gz NRQHIUQHEDEDEA-LPHOPBHVSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1cc(C)ccc1OC(F)F ZINC001292893857 1065595351 /nfs/dbraw/zinc/59/53/51/1065595351.db2.gz SICSLPIMKRBKHU-XLIONFOSSA-N 1 1 476.572 2.787 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894290 1065595423 /nfs/dbraw/zinc/59/54/23/1065595423.db2.gz WKOSWDMQBIPXEG-UWJYYQICSA-N 1 1 493.578 2.876 20 0 JFADMO NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC001292896092 1065596888 /nfs/dbraw/zinc/59/68/88/1065596888.db2.gz FDWQUPXTJLMKJT-GOSISDBHSA-N 1 1 451.976 2.537 20 0 JFADMO NS(=O)(=O)c1ccc(OCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC001292896092 1065596900 /nfs/dbraw/zinc/59/69/00/1065596900.db2.gz FDWQUPXTJLMKJT-GOSISDBHSA-N 1 1 451.976 2.537 20 0 JFADMO CCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(OC)c(Br)c1 ZINC001292932386 1065621636 /nfs/dbraw/zinc/62/16/36/1065621636.db2.gz HAPVYPBZAMUOMV-NRFANRHFSA-N 1 1 464.408 2.961 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001292934489 1065624095 /nfs/dbraw/zinc/62/40/95/1065624095.db2.gz XYKPXLMXRQWUDL-TVZXLZGTSA-N 1 1 457.615 2.941 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H](C)c1nccs1 ZINC001292951855 1065632357 /nfs/dbraw/zinc/63/23/57/1065632357.db2.gz KWADALMMWPQNKP-SFHVURJKSA-N 1 1 459.664 2.871 20 0 JFADMO CC[NH+]1CCN(CCCCNC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC001292957244 1065634559 /nfs/dbraw/zinc/63/45/59/1065634559.db2.gz CFCFVAYETISGGT-FQEVSTJZSA-N 1 1 453.425 2.550 20 0 JFADMO CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001292959619 1065638847 /nfs/dbraw/zinc/63/88/47/1065638847.db2.gz CIHBDZCALXHUHO-TZIWHRDSSA-N 1 1 466.696 2.745 20 0 JFADMO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292962765 1065644407 /nfs/dbraw/zinc/64/44/07/1065644407.db2.gz IZLTVUMUSJAWKW-OALUTQOASA-N 1 1 460.589 2.908 20 0 JFADMO CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292962764 1065644479 /nfs/dbraw/zinc/64/44/79/1065644479.db2.gz IZLTVUMUSJAWKW-MOPGFXCFSA-N 1 1 460.589 2.908 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968504 1065648202 /nfs/dbraw/zinc/64/82/02/1065648202.db2.gz RHZSLEIVJHMATF-DYTRJAOYSA-N 1 1 451.600 2.544 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968504 1065648211 /nfs/dbraw/zinc/64/82/11/1065648211.db2.gz RHZSLEIVJHMATF-DYTRJAOYSA-N 1 1 451.600 2.544 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968504 1065648217 /nfs/dbraw/zinc/64/82/17/1065648217.db2.gz RHZSLEIVJHMATF-DYTRJAOYSA-N 1 1 451.600 2.544 20 0 JFADMO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001292971112 1065651737 /nfs/dbraw/zinc/65/17/37/1065651737.db2.gz QDNOIAPEDXPJMK-HKUYNNGSSA-N 1 1 498.694 2.765 20 0 JFADMO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001292971112 1065651747 /nfs/dbraw/zinc/65/17/47/1065651747.db2.gz QDNOIAPEDXPJMK-HKUYNNGSSA-N 1 1 498.694 2.765 20 0 JFADMO CCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979545 1065661322 /nfs/dbraw/zinc/66/13/22/1065661322.db2.gz WYAZYSXJKWRBQC-SFHVURJKSA-N 1 1 464.561 2.715 20 0 JFADMO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292986116 1065670202 /nfs/dbraw/zinc/67/02/02/1065670202.db2.gz BDMUMFDBPPIJTM-GOSISDBHSA-N 1 1 463.573 2.964 20 0 JFADMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001292986502 1065671802 /nfs/dbraw/zinc/67/18/02/1065671802.db2.gz MUKRUSHKMJAVKM-UHFFFAOYSA-N 1 1 454.596 2.620 20 0 JFADMO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001292993645 1065681276 /nfs/dbraw/zinc/68/12/76/1065681276.db2.gz FZTJVGLELJCVPW-NHCUHLMSSA-N 1 1 462.683 2.810 20 0 JFADMO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292995918 1065684183 /nfs/dbraw/zinc/68/41/83/1065684183.db2.gz YDQOGWIRFIINQE-CTNGQTDRSA-N 1 1 454.619 2.612 20 0 JFADMO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292995921 1065684214 /nfs/dbraw/zinc/68/42/14/1065684214.db2.gz YDQOGWIRFIINQE-TZIWHRDSSA-N 1 1 454.619 2.612 20 0 JFADMO CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293022491 1065696249 /nfs/dbraw/zinc/69/62/49/1065696249.db2.gz ANBMYINGLOBSRG-BJKOFHAPSA-N 1 1 461.672 2.550 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031605 1065701426 /nfs/dbraw/zinc/70/14/26/1065701426.db2.gz DHEYZEBDKQLEMZ-GGAORHGYSA-N 1 1 451.615 2.811 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001293039387 1065707132 /nfs/dbraw/zinc/70/71/32/1065707132.db2.gz ALSXVEDKJICDNM-QFIPXVFZSA-N 1 1 468.646 2.852 20 0 JFADMO COc1cc2nc(C(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)c(=O)n(C)c2cc1OC ZINC001293052969 1065713974 /nfs/dbraw/zinc/71/39/74/1065713974.db2.gz MURHOTPREXWYEE-UHFFFAOYSA-N 1 1 450.539 2.687 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001293069897 1065723326 /nfs/dbraw/zinc/72/33/26/1065723326.db2.gz ZWIRPDXUMZEDAL-UHFFFAOYSA-N 1 1 499.626 2.639 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001293069897 1065723336 /nfs/dbraw/zinc/72/33/36/1065723336.db2.gz ZWIRPDXUMZEDAL-UHFFFAOYSA-N 1 1 499.626 2.639 20 0 JFADMO CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293083322 1065733957 /nfs/dbraw/zinc/73/39/57/1065733957.db2.gz NRMBJPKAUKQAQC-OYRHEFFESA-N 1 1 498.672 2.628 20 0 JFADMO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293085167 1065735423 /nfs/dbraw/zinc/73/54/23/1065735423.db2.gz CRFBTXQSVYDEBP-FQEVSTJZSA-N 1 1 472.609 2.828 20 0 JFADMO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293091974 1065739808 /nfs/dbraw/zinc/73/98/08/1065739808.db2.gz ITXSYKDANIZPTC-KDURUIRLSA-N 1 1 450.628 2.643 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293093082 1065741251 /nfs/dbraw/zinc/74/12/51/1065741251.db2.gz QDJGHLODNWFOAQ-XUZZJYLKSA-N 1 1 467.662 2.701 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293096519 1065746653 /nfs/dbraw/zinc/74/66/53/1065746653.db2.gz UAEJGJXUXOULSY-UYAOXDASSA-N 1 1 462.589 2.849 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001293096547 1065746695 /nfs/dbraw/zinc/74/66/95/1065746695.db2.gz XGXZNEAVXMLQRL-NQIIRXRSSA-N 1 1 496.578 2.995 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001293096548 1065747234 /nfs/dbraw/zinc/74/72/34/1065747234.db2.gz XGXZNEAVXMLQRL-RXVVDRJESA-N 1 1 496.578 2.995 20 0 JFADMO CC[C@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001293111500 1065757783 /nfs/dbraw/zinc/75/77/83/1065757783.db2.gz MKEXZOSOKMHYHK-XMMPIXPASA-N 1 1 450.624 2.569 20 0 JFADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCc3cccc(F)c3Br)CC2)CC1 ZINC001293111882 1065758268 /nfs/dbraw/zinc/75/82/68/1065758268.db2.gz SKGRCXKRKFGQCU-UHFFFAOYSA-N 1 1 454.384 2.924 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293118782 1065765987 /nfs/dbraw/zinc/76/59/87/1065765987.db2.gz DTWIEBCNZJEJNL-DHIUTWEWSA-N 1 1 481.689 2.884 20 0 JFADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 ZINC001293125466 1065777158 /nfs/dbraw/zinc/77/71/58/1065777158.db2.gz OHLOIONABAMLMS-UHFFFAOYSA-N 1 1 459.550 2.987 20 0 JFADMO CCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001293129633 1065779972 /nfs/dbraw/zinc/77/99/72/1065779972.db2.gz BTAPJKQAECLLQB-KRWDZBQOSA-N 1 1 454.497 2.526 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 ZINC001293137529 1065788073 /nfs/dbraw/zinc/78/80/73/1065788073.db2.gz PZKQCSFXLYIKOP-XMMPIXPASA-N 1 1 470.662 2.769 20 0 JFADMO O=C(c1nc(C(F)(F)F)n2c1CCCC2)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137954 1065788396 /nfs/dbraw/zinc/78/83/96/1065788396.db2.gz SFWHRIQJYQLVHS-UHFFFAOYSA-N 1 1 451.493 2.998 20 0 JFADMO CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293137930 1065788455 /nfs/dbraw/zinc/78/84/55/1065788455.db2.gz RQGDIIFNSPPQRH-GOSISDBHSA-N 1 1 456.534 2.681 20 0 JFADMO CCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293176992 1065802162 /nfs/dbraw/zinc/80/21/62/1065802162.db2.gz CFQUOJPVKAQESJ-OALUTQOASA-N 1 1 462.639 2.787 20 0 JFADMO CCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293176992 1065802176 /nfs/dbraw/zinc/80/21/76/1065802176.db2.gz CFQUOJPVKAQESJ-OALUTQOASA-N 1 1 462.639 2.787 20 0 JFADMO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293178732 1065803433 /nfs/dbraw/zinc/80/34/33/1065803433.db2.gz XSMAGBRKMSRMAJ-HSALFYBXSA-N 1 1 492.665 2.855 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001293184773 1065808308 /nfs/dbraw/zinc/80/83/08/1065808308.db2.gz KDKXPLJXAVALFD-VQTJNVASSA-N 1 1 488.681 2.905 20 0 JFADMO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001293188705 1065813484 /nfs/dbraw/zinc/81/34/84/1065813484.db2.gz MXRKBYVYNBXRCK-HZPDHXFCSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001293199183 1065826822 /nfs/dbraw/zinc/82/68/22/1065826822.db2.gz VGFZLRWAUIJGMS-GOSISDBHSA-N 1 1 478.663 2.646 20 0 JFADMO CN(C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OC(C)(C)C ZINC001293202273 1065830377 /nfs/dbraw/zinc/83/03/77/1065830377.db2.gz VWIONQPORLJEEP-GOSISDBHSA-N 1 1 454.612 2.645 20 0 JFADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210317 1065845830 /nfs/dbraw/zinc/84/58/30/1065845830.db2.gz BHXQKCOJUMCHMD-UZLBHIALSA-N 1 1 453.414 2.883 20 0 JFADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210317 1065845834 /nfs/dbraw/zinc/84/58/34/1065845834.db2.gz BHXQKCOJUMCHMD-UZLBHIALSA-N 1 1 453.414 2.883 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293216337 1065854796 /nfs/dbraw/zinc/85/47/96/1065854796.db2.gz HFRMPKJJQXIMDQ-IFMALSPDSA-N 1 1 481.645 2.982 20 0 JFADMO CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC001293216365 1065854886 /nfs/dbraw/zinc/85/48/86/1065854886.db2.gz ZHBBITWSLPAYHK-OAQYLSRUSA-N 1 1 458.603 2.647 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293219525 1065866580 /nfs/dbraw/zinc/86/65/80/1065866580.db2.gz QWQPSUWFBDTYLF-RTBURBONSA-N 1 1 497.003 2.597 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@H+]1CC ZINC001293220975 1065873708 /nfs/dbraw/zinc/87/37/08/1065873708.db2.gz VYOYWCSWQZONLS-QZTJIDSGSA-N 1 1 461.408 2.907 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293227005 1065879442 /nfs/dbraw/zinc/87/94/42/1065879442.db2.gz DOWMLILRQGOGEN-NZQKXSOJSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293227005 1065879450 /nfs/dbraw/zinc/87/94/50/1065879450.db2.gz DOWMLILRQGOGEN-NZQKXSOJSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(Br)c2)n1CC[N@@H+](CC)C1CC1 ZINC001293229031 1065884061 /nfs/dbraw/zinc/88/40/61/1065884061.db2.gz QNNZUHXTDLLOQE-SFHVURJKSA-N 1 1 491.434 2.915 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001293229354 1065885189 /nfs/dbraw/zinc/88/51/89/1065885189.db2.gz SWJHWULIXMDHLP-GOSISDBHSA-N 1 1 477.382 2.823 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293239831 1065896321 /nfs/dbraw/zinc/89/63/21/1065896321.db2.gz UGAPRNWGZNWNBY-RZUBCFFCSA-N 1 1 468.646 2.780 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001293244946 1065909140 /nfs/dbraw/zinc/90/91/40/1065909140.db2.gz YDAIEGQODNOCJN-IBGZPJMESA-N 1 1 487.674 2.639 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293272889 1065929433 /nfs/dbraw/zinc/92/94/33/1065929433.db2.gz NIOSNGZXZRQBAS-NRSPTQNISA-N 1 1 482.695 2.500 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293272890 1065929558 /nfs/dbraw/zinc/92/95/58/1065929558.db2.gz NIOSNGZXZRQBAS-TYPHKJRUSA-N 1 1 482.695 2.500 20 0 JFADMO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001293287730 1065934296 /nfs/dbraw/zinc/93/42/96/1065934296.db2.gz BIIMCEDJGKGJFN-JFIYKMOQSA-N 1 1 466.677 2.948 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293298894 1065939725 /nfs/dbraw/zinc/93/97/25/1065939725.db2.gz DCPDTLPFWHZHQP-BKSPAHHJSA-N 1 1 462.683 2.970 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2ccccc2C)c1 ZINC001293325611 1065949868 /nfs/dbraw/zinc/94/98/68/1065949868.db2.gz VRDHGNHJRQIZII-UHFFFAOYSA-N 1 1 458.628 2.959 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293329586 1065951016 /nfs/dbraw/zinc/95/10/16/1065951016.db2.gz IGCQRBKACODTKG-ITBHCLRTSA-N 1 1 476.666 2.570 20 0 JFADMO CC[C@H]1CC2(CCC2)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C ZINC001293337536 1065954641 /nfs/dbraw/zinc/95/46/41/1065954641.db2.gz YRXGPIIQUGMSRL-PMACEKPBSA-N 1 1 482.695 2.500 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)[nH+]1 ZINC001293342471 1065956822 /nfs/dbraw/zinc/95/68/22/1065956822.db2.gz STJFDMRWOZEMCM-RBUKOAKNSA-N 1 1 459.591 2.556 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)CN2C(=O)COc3cc(Br)ccc32)[nH+]1 ZINC001293342738 1065956881 /nfs/dbraw/zinc/95/68/81/1065956881.db2.gz VSIGLTBABLXREZ-MRXNPFEDSA-N 1 1 459.344 2.981 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CN[C@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC001293363083 1065966645 /nfs/dbraw/zinc/96/66/45/1065966645.db2.gz SBECZKKAVFIEMV-JOCHJYFZSA-N 1 1 454.537 2.672 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001293363981 1065967897 /nfs/dbraw/zinc/96/78/97/1065967897.db2.gz LDNJEICTDNWCMX-OAQYLSRUSA-N 1 1 471.650 2.758 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001293364365 1065968850 /nfs/dbraw/zinc/96/88/50/1065968850.db2.gz FMULGOBRWULZDY-NHCUHLMSSA-N 1 1 468.650 2.988 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001293364364 1065968875 /nfs/dbraw/zinc/96/88/75/1065968875.db2.gz FMULGOBRWULZDY-LEWJYISDSA-N 1 1 468.650 2.988 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001293364301 1065968990 /nfs/dbraw/zinc/96/89/90/1065968990.db2.gz DPRIAHLNZMYMJZ-HXUWFJFHSA-N 1 1 454.623 2.741 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001293365684 1065970742 /nfs/dbraw/zinc/97/07/42/1065970742.db2.gz PCDUUMSLZBFSNT-IBGZPJMESA-N 1 1 478.638 2.820 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001293366651 1065971968 /nfs/dbraw/zinc/97/19/68/1065971968.db2.gz XTONYMVKNMEVLH-VXKWHMMOSA-N 1 1 454.619 2.859 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373467 1065977480 /nfs/dbraw/zinc/97/74/80/1065977480.db2.gz QXWYEECKSIRLRW-MSOLQXFVSA-N 1 1 459.607 2.926 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373734 1065978393 /nfs/dbraw/zinc/97/83/93/1065978393.db2.gz RFBUDIHRMRHSRS-IRLDBZIGSA-N 1 1 475.659 2.787 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373763 1065978799 /nfs/dbraw/zinc/97/87/99/1065978799.db2.gz ROMXRLFLFFNGST-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373794 1065978824 /nfs/dbraw/zinc/97/88/24/1065978824.db2.gz RYZPUQWSUZGVJH-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001293373844 1065979276 /nfs/dbraw/zinc/97/92/76/1065979276.db2.gz RZUFMGXMVOIBJE-IRLDBZIGSA-N 1 1 459.683 2.530 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001293374136 1065979730 /nfs/dbraw/zinc/97/97/30/1065979730.db2.gz UGBISLAQJICUPS-BHDDXSALSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293374896 1065980766 /nfs/dbraw/zinc/98/07/66/1065980766.db2.gz YNUFCDPAXOEUFF-PWRODBHTSA-N 1 1 482.695 2.550 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001293377385 1065981879 /nfs/dbraw/zinc/98/18/79/1065981879.db2.gz TZJWEOCSUWGYOT-YZGWKJHDSA-N 1 1 451.612 2.581 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001293379458 1065983605 /nfs/dbraw/zinc/98/36/05/1065983605.db2.gz PRNXJUMSAZOSHX-IBGZPJMESA-N 1 1 454.685 2.606 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 ZINC001293379503 1065984095 /nfs/dbraw/zinc/98/40/95/1065984095.db2.gz QXJRSNOFRKKDRB-LJQANCHMSA-N 1 1 461.632 2.699 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001293379644 1065984215 /nfs/dbraw/zinc/98/42/15/1065984215.db2.gz SPVAYZKFQJAFBX-IBGZPJMESA-N 1 1 454.685 2.748 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001293380520 1065985065 /nfs/dbraw/zinc/98/50/65/1065985065.db2.gz ZMZXFFQLGGLMSN-NJDAHSKKSA-N 1 1 475.682 2.923 20 0 JFADMO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CC1 ZINC001293386240 1065986942 /nfs/dbraw/zinc/98/69/42/1065986942.db2.gz LOYGWGHBXCGIRF-FYYLOGMGSA-N 1 1 450.583 2.883 20 0 JFADMO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CC1 ZINC001293386240 1065986952 /nfs/dbraw/zinc/98/69/52/1065986952.db2.gz LOYGWGHBXCGIRF-FYYLOGMGSA-N 1 1 450.583 2.883 20 0 JFADMO CC[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001293388044 1065988925 /nfs/dbraw/zinc/98/89/25/1065988925.db2.gz XXVJAXXICWTYNL-DHLKQENFSA-N 1 1 462.683 2.973 20 0 JFADMO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C1([NH+]2CCOCC2)CCCC1 ZINC001293420342 1066002322 /nfs/dbraw/zinc/00/23/22/1066002322.db2.gz RSGCKLBHOBKIGE-UONOGXRCSA-N 1 1 458.422 2.779 20 0 JFADMO CCC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC[N@@H+](C)CCOC)CC1 ZINC001293478032 1066018884 /nfs/dbraw/zinc/01/88/84/1066018884.db2.gz FYFQQRPZUWIETH-UHFFFAOYSA-N 1 1 467.618 2.787 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)s2)CC[N@H+]1CCOC ZINC001293505846 1066029021 /nfs/dbraw/zinc/02/90/21/1066029021.db2.gz JLGWMFKWZMMFCD-MRXNPFEDSA-N 1 1 467.039 2.824 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@H+]1CCOC ZINC001293507253 1066031799 /nfs/dbraw/zinc/03/17/99/1066031799.db2.gz AGFWRDCWCNEDIA-KNQAVFIVSA-N 1 1 493.612 2.574 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293508577 1066032711 /nfs/dbraw/zinc/03/27/11/1066032711.db2.gz LBBPUIXJJPMVQI-KNQAVFIVSA-N 1 1 488.608 2.572 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293508578 1066032761 /nfs/dbraw/zinc/03/27/61/1066032761.db2.gz LBBPUIXJJPMVQI-SIKLNZKXSA-N 1 1 488.608 2.572 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001293509689 1066034377 /nfs/dbraw/zinc/03/43/77/1066034377.db2.gz JFBWMWWCBSTHIT-JOCHJYFZSA-N 1 1 470.618 2.875 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001293510106 1066035130 /nfs/dbraw/zinc/03/51/30/1066035130.db2.gz PQFKTJZILWMKFQ-OALUTQOASA-N 1 1 468.593 2.887 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC001293510638 1066036160 /nfs/dbraw/zinc/03/61/60/1066036160.db2.gz UBDDDJNMSZLFFY-WIYYLYMNSA-N 1 1 475.037 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293517506 1066040149 /nfs/dbraw/zinc/04/01/49/1066040149.db2.gz DMRHYVQDOXSAQA-OAQYLSRUSA-N 1 1 456.635 2.861 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCCNC(=O)c2occc2C)C[C@@H]1[NH+]1CCOCC1 ZINC001293518099 1066040566 /nfs/dbraw/zinc/04/05/66/1066040566.db2.gz KOLOZEREXQNIBM-UXHICEINSA-N 1 1 458.607 2.670 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCCNC(=O)c2occc2C)C[C@@H]1[NH+]1CCOCC1 ZINC001293518098 1066040741 /nfs/dbraw/zinc/04/07/41/1066040741.db2.gz KOLOZEREXQNIBM-PMACEKPBSA-N 1 1 458.607 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293518938 1066041010 /nfs/dbraw/zinc/04/10/10/1066041010.db2.gz IRHGWRLMDKZFAQ-OAQYLSRUSA-N 1 1 456.635 2.781 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCCNC(=O)c2occc2C)C[C@H]1[NH+]1CCOCC1 ZINC001293518101 1066041043 /nfs/dbraw/zinc/04/10/43/1066041043.db2.gz KOLOZEREXQNIBM-WOJBJXKFSA-N 1 1 458.607 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001293530407 1066049934 /nfs/dbraw/zinc/04/99/34/1066049934.db2.gz FGKGXTXXWZBGNB-QPPBQGQZSA-N 1 1 480.723 2.678 20 0 JFADMO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+]2CCN(CC)CC2)CCS1 ZINC001293530409 1066049989 /nfs/dbraw/zinc/04/99/89/1066049989.db2.gz FGKGXTXXWZBGNB-URXFXBBRSA-N 1 1 480.723 2.678 20 0 JFADMO CC[C@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001293530920 1066050523 /nfs/dbraw/zinc/05/05/23/1066050523.db2.gz IYNAUHYQFIHYCK-QFIPXVFZSA-N 1 1 468.646 2.773 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCO2)CC[N@H+]1CCOC ZINC001293537180 1066054442 /nfs/dbraw/zinc/05/44/42/1066054442.db2.gz IBBQJDFBNKBEKF-ZWKOTPCHSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CCN1CCOC ZINC001293538954 1066056810 /nfs/dbraw/zinc/05/68/10/1066056810.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CCN1CCOC ZINC001293538954 1066056823 /nfs/dbraw/zinc/05/68/23/1066056823.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H]2C)C[C@H](C)O1 ZINC001293540969 1066060486 /nfs/dbraw/zinc/06/04/86/1066060486.db2.gz RVBWWYQPWPBQRM-CMKODMSKSA-N 1 1 461.632 2.837 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)[nH]1 ZINC001293543955 1066063823 /nfs/dbraw/zinc/06/38/23/1066063823.db2.gz ZZUGOAGUTGKJEV-OALUTQOASA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)[nH]1 ZINC001293543955 1066063834 /nfs/dbraw/zinc/06/38/34/1066063834.db2.gz ZZUGOAGUTGKJEV-OALUTQOASA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)[nH]1 ZINC001293543956 1066063878 /nfs/dbraw/zinc/06/38/78/1066063878.db2.gz ZZUGOAGUTGKJEV-RBUKOAKNSA-N 1 1 454.571 2.608 20 0 JFADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)[nH]1 ZINC001293543956 1066063889 /nfs/dbraw/zinc/06/38/89/1066063889.db2.gz ZZUGOAGUTGKJEV-RBUKOAKNSA-N 1 1 454.571 2.608 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001293548878 1066064943 /nfs/dbraw/zinc/06/49/43/1066064943.db2.gz BIQGXYHJANTSPQ-UWJYYQICSA-N 1 1 464.408 2.698 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](COC)OC)C[C@H]1[NH+]1CCOCC1 ZINC001293549464 1066065291 /nfs/dbraw/zinc/06/52/91/1066065291.db2.gz LSUCGCKUWLSCEG-JRGCBEDISA-N 1 1 464.010 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293549754 1066065705 /nfs/dbraw/zinc/06/57/05/1066065705.db2.gz QRGBNJBYKZWGED-XLIONFOSSA-N 1 1 461.010 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293554865 1066069265 /nfs/dbraw/zinc/06/92/65/1066069265.db2.gz VQYXORPHBBFHRW-VGSWGCGISA-N 1 1 484.428 2.950 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293555040 1066069377 /nfs/dbraw/zinc/06/93/77/1066069377.db2.gz BRVXEJDMNDKOLH-NQIIRXRSSA-N 1 1 459.591 2.546 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)COC)C[C@H]1[NH+]1CCOCC1 ZINC001293557901 1066071803 /nfs/dbraw/zinc/07/18/03/1066071803.db2.gz PKKWGQZNQFMAAZ-NNMXDRDESA-N 1 1 473.618 2.792 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293560122 1066074647 /nfs/dbraw/zinc/07/46/47/1066074647.db2.gz IGMZBACMOHXXRN-GGAORHGYSA-N 1 1 454.619 2.751 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293562581 1066075856 /nfs/dbraw/zinc/07/58/56/1066075856.db2.gz VFGWTTFEQOXRRS-XUZZJYLKSA-N 1 1 458.676 2.929 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@](C)(O)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293565278 1066077163 /nfs/dbraw/zinc/07/71/63/1066077163.db2.gz KSZXHIVSIVSFTK-UTSGNWPNSA-N 1 1 478.037 2.933 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CC[N@H+]1CCOC ZINC001293565343 1066077354 /nfs/dbraw/zinc/07/73/54/1066077354.db2.gz LLWNWUAWVIZXGA-HXUWFJFHSA-N 1 1 477.053 2.868 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293565874 1066077984 /nfs/dbraw/zinc/07/79/84/1066077984.db2.gz ASFDNFQVFOSLDE-SQJMNOBHSA-N 1 1 450.587 2.795 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1CCOC ZINC001293568676 1066081030 /nfs/dbraw/zinc/08/10/30/1066081030.db2.gz QZMJKJPEYLVNES-OALUTQOASA-N 1 1 481.567 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(OC)c2OC)CC[N@H+]1CCOC ZINC001293569331 1066081975 /nfs/dbraw/zinc/08/19/75/1066081975.db2.gz WFCFXTSXVUKTBY-HXUWFJFHSA-N 1 1 466.586 2.953 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293570589 1066082520 /nfs/dbraw/zinc/08/25/20/1066082520.db2.gz GZPGJDCNMYCNNT-OFVILXPXSA-N 1 1 470.593 2.877 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C2CCCCC2)CC[N@H+]1CCOC ZINC001293571959 1066083719 /nfs/dbraw/zinc/08/37/19/1066083719.db2.gz PJCRFXGSXKBBIA-LJQANCHMSA-N 1 1 457.623 2.611 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293578650 1066089357 /nfs/dbraw/zinc/08/93/57/1066089357.db2.gz KQNMRMFFBJNUQK-QHCPKHFHSA-N 1 1 491.640 2.854 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCN1CCOC ZINC001293587778 1066095651 /nfs/dbraw/zinc/09/56/51/1066095651.db2.gz QSRGUGLFXUIPPQ-GGAORHGYSA-N 1 1 492.709 2.956 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCN1CCOC ZINC001293587785 1066095832 /nfs/dbraw/zinc/09/58/32/1066095832.db2.gz QSRGUGLFXUIPPQ-JTHBVZDNSA-N 1 1 492.709 2.956 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293592612 1066098253 /nfs/dbraw/zinc/09/82/53/1066098253.db2.gz BVDBJTSNKUKMJC-GOTSBHOMSA-N 1 1 462.683 2.841 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293592121 1066098367 /nfs/dbraw/zinc/09/83/67/1066098367.db2.gz AZUMYQSKKJICQB-KZNAEPCWSA-N 1 1 493.546 2.636 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001293593979 1066100562 /nfs/dbraw/zinc/10/05/62/1066100562.db2.gz IXMLWBWSCGRDHN-YADARESESA-N 1 1 494.706 2.791 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293594254 1066101577 /nfs/dbraw/zinc/10/15/77/1066101577.db2.gz JDMMXXAUEJEQSC-RBUKOAKNSA-N 1 1 463.652 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC[N@H+]1CCOC ZINC001293595755 1066105432 /nfs/dbraw/zinc/10/54/32/1066105432.db2.gz CVXIZYPFPYQECZ-UXHICEINSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293597433 1066110014 /nfs/dbraw/zinc/11/00/14/1066110014.db2.gz SXBPGNKOQYMGMP-XZOQPEGZSA-N 1 1 484.645 2.805 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001293599665 1066114097 /nfs/dbraw/zinc/11/40/97/1066114097.db2.gz NOGHQMDWQZFHJU-UWHLTILDSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC[N@H+]1CCOC ZINC001293603334 1066119979 /nfs/dbraw/zinc/11/99/79/1066119979.db2.gz XIQWNHMULIIRQG-OAQYLSRUSA-N 1 1 456.635 2.755 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC[N@H+]1CCOC ZINC001293605012 1066120956 /nfs/dbraw/zinc/12/09/56/1066120956.db2.gz AMDSLYAYHCVYCV-HSZRJFAPSA-N 1 1 470.662 2.909 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1[NH+]1CCOCC1 ZINC001293607193 1066122806 /nfs/dbraw/zinc/12/28/06/1066122806.db2.gz IGCLNDZHQNINIE-QZTJIDSGSA-N 1 1 496.582 2.945 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001293607122 1066122821 /nfs/dbraw/zinc/12/28/21/1066122821.db2.gz HKNRMNHHBPLWNQ-SFHVURJKSA-N 1 1 468.444 2.683 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001293608050 1066123846 /nfs/dbraw/zinc/12/38/46/1066123846.db2.gz LJYFEWTWUGUIHY-XZOQPEGZSA-N 1 1 468.646 2.730 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293609634 1066124854 /nfs/dbraw/zinc/12/48/54/1066124854.db2.gz RLCCTOTUKVDSLW-ZRBLBEILSA-N 1 1 462.683 2.525 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293612236 1066127565 /nfs/dbraw/zinc/12/75/65/1066127565.db2.gz KRNBWXXBUDRMOT-HSZRJFAPSA-N 1 1 455.651 2.543 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293612263 1066128105 /nfs/dbraw/zinc/12/81/05/1066128105.db2.gz LEWDBZRGNIOQAT-UNMCSNQZSA-N 1 1 456.635 2.874 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@H+]1CCOC ZINC001293612615 1066129089 /nfs/dbraw/zinc/12/90/89/1066129089.db2.gz MMVZTRUZPAEFPQ-FDFHNCONSA-N 1 1 478.037 2.609 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293612694 1066129578 /nfs/dbraw/zinc/12/95/78/1066129578.db2.gz PPHCFKBOJXRPGS-OFNKIYASSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293612687 1066129613 /nfs/dbraw/zinc/12/96/13/1066129613.db2.gz PFRKMRRGAYGDAA-TZIWHRDSSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293612687 1066129623 /nfs/dbraw/zinc/12/96/23/1066129623.db2.gz PFRKMRRGAYGDAA-TZIWHRDSSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001293613646 1066131043 /nfs/dbraw/zinc/13/10/43/1066131043.db2.gz YVHUPZBKCBUUOW-FCHUYYIVSA-N 1 1 457.619 2.850 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001293616265 1066131993 /nfs/dbraw/zinc/13/19/93/1066131993.db2.gz GFICXVOHBLWJTL-DEOSSOPVSA-N 1 1 477.613 2.818 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293616915 1066133772 /nfs/dbraw/zinc/13/37/72/1066133772.db2.gz PVCORXINZUWBEA-GJZUVCINSA-N 1 1 482.629 2.928 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293616913 1066133785 /nfs/dbraw/zinc/13/37/85/1066133785.db2.gz PVCORXINZUWBEA-ATIYNZHBSA-N 1 1 482.629 2.928 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)(C)C)CC[N@H+]1CCOC ZINC001293619509 1066135881 /nfs/dbraw/zinc/13/58/81/1066135881.db2.gz BUQCZOPDSNFIAB-OAQYLSRUSA-N 1 1 469.634 2.879 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001293623819 1066140095 /nfs/dbraw/zinc/14/00/95/1066140095.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 1 1 469.678 2.933 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001293623819 1066140097 /nfs/dbraw/zinc/14/00/97/1066140097.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 1 1 469.678 2.933 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC[N@H+]1CCOC ZINC001293629551 1066144036 /nfs/dbraw/zinc/14/40/36/1066144036.db2.gz LVMWVMSKPQIXPI-QFIPXVFZSA-N 1 1 472.609 2.638 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293632887 1066147562 /nfs/dbraw/zinc/14/75/62/1066147562.db2.gz XMHHHQMYQTXYLV-BKMJKUGQSA-N 1 1 499.660 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)SC)C[C@H]1[NH+]1CCOCC1 ZINC001293633298 1066148139 /nfs/dbraw/zinc/14/81/39/1066148139.db2.gz ZEQRLESQMIIKIY-VQTJNVASSA-N 1 1 478.707 2.869 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCN1CCOC ZINC001293635127 1066150740 /nfs/dbraw/zinc/15/07/40/1066150740.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCN1CCOC ZINC001293635127 1066150746 /nfs/dbraw/zinc/15/07/46/1066150746.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293636302 1066153807 /nfs/dbraw/zinc/15/38/07/1066153807.db2.gz SSLGHFUAFYINOH-ZCNNSNEGSA-N 1 1 490.674 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293643794 1066159127 /nfs/dbraw/zinc/15/91/27/1066159127.db2.gz HIBWPWGERZNEPI-NHCUHLMSSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CCC[NH+]2CCOCC2)CCS1 ZINC001293644818 1066159891 /nfs/dbraw/zinc/15/98/91/1066159891.db2.gz PIHYZJHMODGVSL-LJQANCHMSA-N 1 1 461.632 2.920 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645680 1066161217 /nfs/dbraw/zinc/16/12/17/1066161217.db2.gz XNFOZKOJNWLIGK-TZIWHRDSSA-N 1 1 488.608 2.554 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001293645683 1066161305 /nfs/dbraw/zinc/16/13/05/1066161305.db2.gz XROHBVUXCTVCNA-RTWAWAEBSA-N 1 1 473.618 2.838 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293647947 1066162782 /nfs/dbraw/zinc/16/27/82/1066162782.db2.gz OMBHAWCGFXGYLC-SQJMNOBHSA-N 1 1 489.686 2.889 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)OC)C[C@H]1[NH+]1CCOCC1 ZINC001293653525 1066166120 /nfs/dbraw/zinc/16/61/20/1066166120.db2.gz PJPXPVPEDXWNGL-QGLKVJOYSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC[N@H+]1CCOC ZINC001293655280 1066167302 /nfs/dbraw/zinc/16/73/02/1066167302.db2.gz YMGUXBGGYFOWEL-NHCUHLMSSA-N 1 1 470.618 2.932 20 0 JFADMO CC/C=C/Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293703801 1066177741 /nfs/dbraw/zinc/17/77/41/1066177741.db2.gz LWXISKWJQSHTCQ-IOUFHMPJSA-N 1 1 458.651 2.909 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)CC2)cc1 ZINC001293733396 1066191130 /nfs/dbraw/zinc/19/11/30/1066191130.db2.gz VQUFODYAFUFGPU-UHFFFAOYSA-N 1 1 463.586 2.895 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001293740919 1066204249 /nfs/dbraw/zinc/20/42/49/1066204249.db2.gz BSYTYBFWJGYAJC-IBGZPJMESA-N 1 1 458.582 2.692 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293743717 1066211242 /nfs/dbraw/zinc/21/12/42/1066211242.db2.gz UCXXFZVNAGQRKL-UZUQRXQVSA-N 1 1 461.010 2.550 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001293744478 1066212998 /nfs/dbraw/zinc/21/29/98/1066212998.db2.gz ZXLRVPDZULBPNW-MJGOQNOKSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293748339 1066218487 /nfs/dbraw/zinc/21/84/87/1066218487.db2.gz GXIRDNUGHPMIIJ-RZUBCFFCSA-N 1 1 470.666 2.932 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001293756361 1066236263 /nfs/dbraw/zinc/23/62/63/1066236263.db2.gz NIJZLWUEZKZOBT-QFIPXVFZSA-N 1 1 498.672 2.873 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001293756361 1066236285 /nfs/dbraw/zinc/23/62/85/1066236285.db2.gz NIJZLWUEZKZOBT-QFIPXVFZSA-N 1 1 498.672 2.873 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001293757698 1066239353 /nfs/dbraw/zinc/23/93/53/1066239353.db2.gz YLKDVYCHUCUUGU-SFTDATJTSA-N 1 1 473.666 2.550 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001293760986 1066244425 /nfs/dbraw/zinc/24/44/25/1066244425.db2.gz FCDHRDTUCPMLEC-HXUWFJFHSA-N 1 1 496.660 2.931 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001293762021 1066246524 /nfs/dbraw/zinc/24/65/24/1066246524.db2.gz MFHDDRCFTNYEPC-NRFANRHFSA-N 1 1 487.693 2.767 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001293762702 1066248404 /nfs/dbraw/zinc/24/84/04/1066248404.db2.gz RACPGGLPDSVTGR-NRFANRHFSA-N 1 1 487.693 2.911 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293786698 1066289042 /nfs/dbraw/zinc/28/90/42/1066289042.db2.gz JAPJEWUYEKYAKV-HXUWFJFHSA-N 1 1 468.650 2.990 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293786973 1066290836 /nfs/dbraw/zinc/29/08/36/1066290836.db2.gz OQMIBKGRESHGPX-RTWAWAEBSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293786973 1066290846 /nfs/dbraw/zinc/29/08/46/1066290846.db2.gz OQMIBKGRESHGPX-RTWAWAEBSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293786972 1066290871 /nfs/dbraw/zinc/29/08/71/1066290871.db2.gz OQMIBKGRESHGPX-NHCUHLMSSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293786972 1066290883 /nfs/dbraw/zinc/29/08/83/1066290883.db2.gz OQMIBKGRESHGPX-NHCUHLMSSA-N 1 1 484.645 2.807 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001293811288 1066321412 /nfs/dbraw/zinc/32/14/12/1066321412.db2.gz ACGFDDCPBTZVQB-WIOYSNFSSA-N 1 1 468.646 2.793 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293833687 1066337805 /nfs/dbraw/zinc/33/78/05/1066337805.db2.gz GBTJCNPCTIKDIC-CJFMBICVSA-N 1 1 474.625 2.764 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293837284 1066342127 /nfs/dbraw/zinc/34/21/27/1066342127.db2.gz SIWOAQYMDWQZQJ-KCWPFWIISA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293837285 1066342180 /nfs/dbraw/zinc/34/21/80/1066342180.db2.gz SIWOAQYMDWQZQJ-WNCULLNHSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293850195 1066355135 /nfs/dbraw/zinc/35/51/35/1066355135.db2.gz NTRNNHIZESICGX-NHCUHLMSSA-N 1 1 454.619 2.656 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001293851912 1066357704 /nfs/dbraw/zinc/35/77/04/1066357704.db2.gz WSSIWDLRQYGVGN-JTAQYXEDSA-N 1 1 484.645 2.663 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293883292 1066388275 /nfs/dbraw/zinc/38/82/75/1066388275.db2.gz RCAPRVMIVOFCLY-GOSISDBHSA-N 1 1 456.591 2.710 20 0 JFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293892356 1066393111 /nfs/dbraw/zinc/39/31/11/1066393111.db2.gz VYTQPZOQXRZGAY-ZWKOTPCHSA-N 1 1 454.612 2.691 20 0 JFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CSc1nnc(-c2cccs2)n1C ZINC001293914169 1066398800 /nfs/dbraw/zinc/39/88/00/1066398800.db2.gz KACSUCFOXQXPKE-UHFFFAOYSA-N 1 1 456.641 2.916 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293920888 1066401666 /nfs/dbraw/zinc/40/16/66/1066401666.db2.gz BFNLBINQXZKENJ-UYAOXDASSA-N 1 1 470.684 2.500 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293948318 1066447061 /nfs/dbraw/zinc/44/70/61/1066447061.db2.gz YHARVQFQCPWYMR-ZVOVDXHFSA-N 1 1 486.636 2.596 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001293957051 1066455145 /nfs/dbraw/zinc/45/51/45/1066455145.db2.gz QKMFNSJUDKMKJU-WUMKDDEVSA-N 1 1 484.645 2.758 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967950 1066467404 /nfs/dbraw/zinc/46/74/04/1066467404.db2.gz YWOYXEJMUWSHID-LZLYRXPVSA-N 1 1 452.393 2.665 20 0 JFADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981795 1066486043 /nfs/dbraw/zinc/48/60/43/1066486043.db2.gz JOSCWCNPUBLNHS-LJQANCHMSA-N 1 1 454.283 2.797 20 0 JFADMO CCCC(O)(CCC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001294007564 1066506659 /nfs/dbraw/zinc/50/66/59/1066506659.db2.gz WCBKWXAPGPPQKE-LJQANCHMSA-N 1 1 467.680 2.576 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294012575 1066508545 /nfs/dbraw/zinc/50/85/45/1066508545.db2.gz LPUJQGAYYURLPF-FQEVSTJZSA-N 1 1 461.582 2.848 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294012575 1066508551 /nfs/dbraw/zinc/50/85/51/1066508551.db2.gz LPUJQGAYYURLPF-FQEVSTJZSA-N 1 1 461.582 2.848 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC[N@H+]1CCOC ZINC001294055263 1066528878 /nfs/dbraw/zinc/52/88/78/1066528878.db2.gz SQKUOQNTWRQPIJ-OALUTQOASA-N 1 1 452.669 2.639 20 0 JFADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)cc2)CC1 ZINC001294064010 1066534650 /nfs/dbraw/zinc/53/46/50/1066534650.db2.gz FIFMLRKPLQWYQY-QHCPKHFHSA-N 1 1 451.571 2.948 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CC[N@H+]1CCOC ZINC001294066915 1066537305 /nfs/dbraw/zinc/53/73/05/1066537305.db2.gz HEPHNPQJZXAOTP-LJQANCHMSA-N 1 1 458.998 2.712 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001294066942 1066537334 /nfs/dbraw/zinc/53/73/34/1066537334.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 1 1 474.650 2.894 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001294077858 1066546880 /nfs/dbraw/zinc/54/68/80/1066546880.db2.gz STZJCDTUURTQON-JAXLGGSGSA-N 1 1 459.639 2.821 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294081044 1066549243 /nfs/dbraw/zinc/54/92/43/1066549243.db2.gz LTQIBLQGEKWWKG-LEWJYISDSA-N 1 1 460.623 2.957 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294081047 1066549336 /nfs/dbraw/zinc/54/93/36/1066549336.db2.gz LTQIBLQGEKWWKG-SFTDATJTSA-N 1 1 460.623 2.957 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294081924 1066550235 /nfs/dbraw/zinc/55/02/35/1066550235.db2.gz IUOBVRLKJDUFSB-KURKYZTESA-N 1 1 454.566 2.602 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001294082974 1066552306 /nfs/dbraw/zinc/55/23/06/1066552306.db2.gz UJKMTNSUXJNHKD-PWHSHALESA-N 1 1 463.648 2.688 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001294084746 1066554107 /nfs/dbraw/zinc/55/41/07/1066554107.db2.gz AMUATIWNKHOHGC-BAGYTPMASA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001294084746 1066554115 /nfs/dbraw/zinc/55/41/15/1066554115.db2.gz AMUATIWNKHOHGC-BAGYTPMASA-N 1 1 475.659 2.706 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001294085581 1066556038 /nfs/dbraw/zinc/55/60/38/1066556038.db2.gz UWHRUTPNJAUENE-YADHBBJMSA-N 1 1 454.619 2.717 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001294085580 1066556101 /nfs/dbraw/zinc/55/61/01/1066556101.db2.gz UWHRUTPNJAUENE-VXKWHMMOSA-N 1 1 454.619 2.717 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001294086057 1066556691 /nfs/dbraw/zinc/55/66/91/1066556691.db2.gz WEIXIRNHFSNATO-ZWKOTPCHSA-N 1 1 495.550 2.628 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC[N@H+]1CCOC ZINC001294087880 1066560441 /nfs/dbraw/zinc/56/04/41/1066560441.db2.gz YIFFNINKBXEZQI-WPWBMXPQSA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092056 1066563019 /nfs/dbraw/zinc/56/30/19/1066563019.db2.gz SVSBUKKJVBJAPL-GMAHTHKFSA-N 1 1 486.636 2.956 20 0 JFADMO C[NH+]1CCN(Cc2cc3nc(N4CCC5(CC(F)C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164416433 718884155 /nfs/dbraw/zinc/88/41/55/718884155.db2.gz WRFZSBDMZAXFAI-UHFFFAOYSA-N 1 1 474.650 2.994 20 0 JFADMO CCOC(=O)c1nc2n(n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164615172 719005298 /nfs/dbraw/zinc/00/52/98/719005298.db2.gz GRLOCJFIULIOSF-UHFFFAOYSA-N 1 1 467.599 2.954 20 0 JFADMO COC(=O)[C@H]1CNCCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164629734 719135627 /nfs/dbraw/zinc/13/56/27/719135627.db2.gz CWFPPGYRYRAPEI-HXUWFJFHSA-N 1 1 456.974 2.708 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164632729 719259370 /nfs/dbraw/zinc/25/93/70/719259370.db2.gz AQHSZGQYJBKYGY-QFIPXVFZSA-N 1 1 467.618 2.769 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc4cc(F)c(OC)cc43)CC2)C1=O ZINC001164644273 719285431 /nfs/dbraw/zinc/28/54/31/719285431.db2.gz GJEVNTLRZCTTNB-UHFFFAOYSA-N 1 1 450.942 2.795 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc4cc(F)c(OC)cc43)CC2)C1=O ZINC001164644273 719285434 /nfs/dbraw/zinc/28/54/34/719285434.db2.gz GJEVNTLRZCTTNB-UHFFFAOYSA-N 1 1 450.942 2.795 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)n2)CC1 ZINC001164654105 719322997 /nfs/dbraw/zinc/32/29/97/719322997.db2.gz ONVSQRFYCDCYSU-AREMUKBSSA-N 1 1 490.633 2.539 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164665457 719356418 /nfs/dbraw/zinc/35/64/18/719356418.db2.gz XSGUIBNVKHHRLA-IBGZPJMESA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4nccc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663892 719356777 /nfs/dbraw/zinc/35/67/77/719356777.db2.gz IHAOAFJKGMPDHR-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)C2)cc[nH+]1 ZINC001164663065 719356953 /nfs/dbraw/zinc/35/69/53/719356953.db2.gz BZSNJDXEKUIWBK-HXUWFJFHSA-N 1 1 467.952 2.842 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)cc4N)C3)C2)cc[nH+]1 ZINC001164665398 719356990 /nfs/dbraw/zinc/35/69/90/719356990.db2.gz WGGUVHSKXVVTBI-HXUWFJFHSA-N 1 1 467.952 2.842 20 0 JFADMO Cc1cc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc(Cl)n1 ZINC001164665989 719357305 /nfs/dbraw/zinc/35/73/05/719357305.db2.gz ZOJRIPFKIWUZKG-HXUWFJFHSA-N 1 1 467.952 2.963 20 0 JFADMO Cc1cc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)c(Cl)nn1 ZINC001164664894 719357682 /nfs/dbraw/zinc/35/76/82/719357682.db2.gz RSACRGKKBKTHSK-FQEVSTJZSA-N 1 1 467.952 2.963 20 0 JFADMO CC(C)N(c1ncccc1CN1CCCC1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164681845 719687528 /nfs/dbraw/zinc/68/75/28/719687528.db2.gz AIYGUHIUGMWVAB-UHFFFAOYSA-N 1 1 451.619 2.539 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164686341 719709498 /nfs/dbraw/zinc/70/94/98/719709498.db2.gz ZZZSMIVQAMXUDN-UHFFFAOYSA-N 1 1 453.978 2.709 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164685215 719711540 /nfs/dbraw/zinc/71/15/40/719711540.db2.gz SKVOHKYWCHSKCX-UHFFFAOYSA-N 1 1 455.006 2.827 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4OCCN(c5ncccn5)[C@@H]4C3)c2c1C ZINC001164692904 719801080 /nfs/dbraw/zinc/80/10/80/719801080.db2.gz QLNWXXBQNOSZHZ-QZTJIDSGSA-N 1 1 451.600 2.788 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693723 719813313 /nfs/dbraw/zinc/81/33/13/719813313.db2.gz YJGGKZPVIZUGEF-WJOKGBTCSA-N 1 1 463.629 2.791 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693723 719813314 /nfs/dbraw/zinc/81/33/14/719813314.db2.gz YJGGKZPVIZUGEF-WJOKGBTCSA-N 1 1 463.629 2.791 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164703966 719818596 /nfs/dbraw/zinc/81/85/96/719818596.db2.gz WNGDBDFIYNKKAJ-WDDWZANVSA-N 1 1 498.631 2.773 20 0 JFADMO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2O1 ZINC001164703966 719818598 /nfs/dbraw/zinc/81/85/98/719818598.db2.gz WNGDBDFIYNKKAJ-WDDWZANVSA-N 1 1 498.631 2.773 20 0 JFADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2sccc21 ZINC001164701801 719875682 /nfs/dbraw/zinc/87/56/82/719875682.db2.gz HSNKBTZMWZBKIZ-GAJHUEQPSA-N 1 1 453.568 2.986 20 0 JFADMO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164698157 719882582 /nfs/dbraw/zinc/88/25/82/719882582.db2.gz DIZXVIQDCYVXDR-YTFSRNRJSA-N 1 1 470.577 2.767 20 0 JFADMO c1csc(C[N@@H+]2CCOC3(CCN(c4nc5scnc5c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164695748 719889600 /nfs/dbraw/zinc/88/96/00/719889600.db2.gz UQMAVSNZGWZSNN-UHFFFAOYSA-N 1 1 472.640 2.856 20 0 JFADMO c1csc(C[N@H+]2CCOC3(CCN(c4nc5scnc5c(N5CCOCC5)n4)CC3)C2)c1 ZINC001164695748 719889604 /nfs/dbraw/zinc/88/96/04/719889604.db2.gz UQMAVSNZGWZSNN-UHFFFAOYSA-N 1 1 472.640 2.856 20 0 JFADMO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)C1=O ZINC001164705483 719898862 /nfs/dbraw/zinc/89/88/62/719898862.db2.gz CEYVYTPJFRTUSD-UHFFFAOYSA-N 1 1 469.611 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708587 719933578 /nfs/dbraw/zinc/93/35/78/719933578.db2.gz LXPPJQKUZPRGOC-QFIPXVFZSA-N 1 1 465.646 2.702 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814783 720094910 /nfs/dbraw/zinc/09/49/10/720094910.db2.gz WPPWSJBCLMTLRL-NBGIEHNGSA-N 1 1 481.622 2.853 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164719115 720107510 /nfs/dbraw/zinc/10/75/10/720107510.db2.gz WICURETXZMBUIA-SFHVURJKSA-N 1 1 472.615 2.673 20 0 JFADMO COCCn1ccc2c1ncnc2N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716254 720122415 /nfs/dbraw/zinc/12/24/15/720122415.db2.gz JNPDWYUAXYBUFN-OAQYLSRUSA-N 1 1 450.587 2.980 20 0 JFADMO CCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164714765 720128127 /nfs/dbraw/zinc/12/81/27/720128127.db2.gz YPJGUWOSLIUKMK-HSZRJFAPSA-N 1 1 466.630 2.778 20 0 JFADMO CCc1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)n1 ZINC001164714765 720128132 /nfs/dbraw/zinc/12/81/32/720128132.db2.gz YPJGUWOSLIUKMK-HSZRJFAPSA-N 1 1 466.630 2.778 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808196 720147863 /nfs/dbraw/zinc/14/78/63/720147863.db2.gz DWLOOHNHXUYTLE-CLOONOSVSA-N 1 1 468.554 2.665 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817524 720173909 /nfs/dbraw/zinc/17/39/09/720173909.db2.gz PRTPPTNFWJYIIS-LEDOBFOHSA-N 1 1 450.649 2.733 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817522 720174306 /nfs/dbraw/zinc/17/43/06/720174306.db2.gz PRTPPTNFWJYIIS-JXHRLWIKSA-N 1 1 450.649 2.733 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820171 720184205 /nfs/dbraw/zinc/18/42/05/720184205.db2.gz ZSDSTVKTMQTGLF-WNCULLNHSA-N 1 1 462.642 2.988 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CCC2 ZINC001164813990 720239716 /nfs/dbraw/zinc/23/97/16/720239716.db2.gz SQXDTLQZOAMQOZ-UHFFFAOYSA-N 1 1 489.005 2.646 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C2)C1 ZINC001164721237 720284238 /nfs/dbraw/zinc/28/42/38/720284238.db2.gz IAJRSTITKYMWNM-QFIPXVFZSA-N 1 1 463.941 2.726 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)C2)C1 ZINC001164721237 720284242 /nfs/dbraw/zinc/28/42/42/720284242.db2.gz IAJRSTITKYMWNM-QFIPXVFZSA-N 1 1 463.941 2.726 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(OCc5ccccc5)ccc43)C2)C1 ZINC001164724502 720304436 /nfs/dbraw/zinc/30/44/36/720304436.db2.gz QOXSOLJXAKVJAG-MHZLTWQESA-N 1 1 475.593 2.874 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc(OCc5ccccc5)ccc43)C2)C1 ZINC001164724502 720304448 /nfs/dbraw/zinc/30/44/48/720304448.db2.gz QOXSOLJXAKVJAG-MHZLTWQESA-N 1 1 475.593 2.874 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724330 720363325 /nfs/dbraw/zinc/36/33/25/720363325.db2.gz JROPQNDERSRKPI-FCHUYYIVSA-N 1 1 460.563 2.917 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164735743 720420572 /nfs/dbraw/zinc/42/05/72/720420572.db2.gz YJWUPDYIXRMRQL-LEWJYISDSA-N 1 1 451.552 2.921 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843539 720592094 /nfs/dbraw/zinc/59/20/94/720592094.db2.gz XVYFSNICGLWROC-ZMSDIMECSA-N 1 1 457.966 2.972 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164843536 720593969 /nfs/dbraw/zinc/59/39/69/720593969.db2.gz XVYFSNICGLWROC-BFYDXBDKSA-N 1 1 457.966 2.972 20 0 JFADMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843590 720598959 /nfs/dbraw/zinc/59/89/59/720598959.db2.gz YJKKGKCOXREACF-PWRODBHTSA-N 1 1 454.623 2.835 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)C1 ZINC001164838784 720606609 /nfs/dbraw/zinc/60/66/09/720606609.db2.gz LWDPDHZLBBSPSR-KAOXLYBCSA-N 1 1 481.645 2.830 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164837773 720607820 /nfs/dbraw/zinc/60/78/20/720607820.db2.gz JIDXZKQPWMKOHN-RZUBCFFCSA-N 1 1 453.591 2.566 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc2C1 ZINC001164836935 720649168 /nfs/dbraw/zinc/64/91/68/720649168.db2.gz AHXJWRHQFXXRPY-KTDPBYDISA-N 1 1 452.603 2.719 20 0 JFADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164740064 720657972 /nfs/dbraw/zinc/65/79/72/720657972.db2.gz PLIGXQOEAMXGNL-VHSXEESVSA-N 1 1 453.721 2.512 20 0 JFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744276 720676344 /nfs/dbraw/zinc/67/63/44/720676344.db2.gz YYZPPRWDERYKIA-HOTGVXAUSA-N 1 1 452.540 2.514 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164841979 720684058 /nfs/dbraw/zinc/68/40/58/720684058.db2.gz KQWLPRKZEHJPPK-QGZVFWFLSA-N 1 1 450.992 2.642 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164746434 720757398 /nfs/dbraw/zinc/75/73/98/720757398.db2.gz YBQSAGXNSNFXKR-HZPDHXFCSA-N 1 1 454.556 2.617 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164742181 720773510 /nfs/dbraw/zinc/77/35/10/720773510.db2.gz NPRVQSBPQFDUKI-ZFWWWQNUSA-N 1 1 462.888 2.969 20 0 JFADMO COc1ccc2nc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc(Cl)c2c1 ZINC001164742181 720773515 /nfs/dbraw/zinc/77/35/15/720773515.db2.gz NPRVQSBPQFDUKI-ZFWWWQNUSA-N 1 1 462.888 2.969 20 0 JFADMO COC[C@]12CCC[C@H]1CN(c1nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845486 720790341 /nfs/dbraw/zinc/79/03/41/720790341.db2.gz GKJAFCWRVQYNFX-UQBPGWFLSA-N 1 1 486.686 2.528 20 0 JFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744872 720804574 /nfs/dbraw/zinc/80/45/74/720804574.db2.gz JALJNGWKUSXINT-LSDHHAIUSA-N 1 1 454.865 2.504 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164743379 720807215 /nfs/dbraw/zinc/80/72/15/720807215.db2.gz FRRZPTHFTRJHEQ-LSDHHAIUSA-N 1 1 450.374 2.906 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1N1CCCCC1 ZINC001164743379 720807217 /nfs/dbraw/zinc/80/72/17/720807217.db2.gz FRRZPTHFTRJHEQ-LSDHHAIUSA-N 1 1 450.374 2.906 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745356 720811676 /nfs/dbraw/zinc/81/16/76/720811676.db2.gz JZSLBWDYOYCMSU-SOLBZPMBSA-N 1 1 495.962 2.823 20 0 JFADMO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164847544 720816211 /nfs/dbraw/zinc/81/62/11/720816211.db2.gz AOPBQYZKRBEFTD-OUTSHDOLSA-N 1 1 483.616 2.847 20 0 JFADMO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164847544 720816213 /nfs/dbraw/zinc/81/62/13/720816213.db2.gz AOPBQYZKRBEFTD-OUTSHDOLSA-N 1 1 483.616 2.847 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1OCC ZINC001164737372 720827146 /nfs/dbraw/zinc/82/71/46/720827146.db2.gz AKXBCWYMJVIJEK-SFHLNBCPSA-N 1 1 454.575 2.628 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1OCC ZINC001164737371 720827267 /nfs/dbraw/zinc/82/72/67/720827267.db2.gz AKXBCWYMJVIJEK-QKNQBKEWSA-N 1 1 454.575 2.628 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164743991 720828829 /nfs/dbraw/zinc/82/88/29/720828829.db2.gz SXEKLTNNZQOPFO-ZRCGQRJVSA-N 1 1 461.570 2.777 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745227 720840331 /nfs/dbraw/zinc/84/03/31/720840331.db2.gz MYCYMCHVVRCXSG-OTNCWRBYSA-N 1 1 488.640 2.987 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748267 720840456 /nfs/dbraw/zinc/84/04/56/720840456.db2.gz SVCNVCYXIOFRPN-CZTZKLFOSA-N 1 1 467.618 2.529 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@H]2C1 ZINC001164854288 720842509 /nfs/dbraw/zinc/84/25/09/720842509.db2.gz RCKFTPOIBVRFAE-PZJWPPBQSA-N 1 1 458.990 2.839 20 0 JFADMO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164742443 720842647 /nfs/dbraw/zinc/84/26/47/720842647.db2.gz GLRBXIGKAAPGBV-SOLBZPMBSA-N 1 1 460.966 2.501 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851860 720844996 /nfs/dbraw/zinc/84/49/96/720844996.db2.gz IGUWCIDBJYWHFS-SIKLNZKXSA-N 1 1 458.006 2.819 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)C1 ZINC001164743029 720846471 /nfs/dbraw/zinc/84/64/71/720846471.db2.gz IEQFBZCKTGMHDA-QLBRKBSLSA-N 1 1 463.630 2.925 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164746627 720849828 /nfs/dbraw/zinc/84/98/28/720849828.db2.gz PRHPGXKWXGJEGP-KCZVDYSFSA-N 1 1 487.674 2.519 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164753602 720856888 /nfs/dbraw/zinc/85/68/88/720856888.db2.gz YPDCLXOJXMTKPD-BRWVUGGUSA-N 1 1 466.968 2.712 20 0 JFADMO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164753040 720859749 /nfs/dbraw/zinc/85/97/49/720859749.db2.gz VNFBLPHGLMQCRQ-RRFJBIMHSA-N 1 1 466.373 2.541 20 0 JFADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCC2 ZINC001164753423 720866168 /nfs/dbraw/zinc/86/61/68/720866168.db2.gz PLIRSTIXLZDDAE-UHFFFAOYSA-N 1 1 473.021 2.960 20 0 JFADMO CCOC(=O)c1cncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750794 720868326 /nfs/dbraw/zinc/86/83/26/720868326.db2.gz JWCSEHOCJFNMDF-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO NC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755756 720874064 /nfs/dbraw/zinc/87/40/64/720874064.db2.gz YSDVVJYMIPLOQN-NTKDMRAZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164755730 720874134 /nfs/dbraw/zinc/87/41/34/720874134.db2.gz YIXIOZPTHBSUJV-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754583 720876496 /nfs/dbraw/zinc/87/64/96/720876496.db2.gz SBGZXPKJRXSEQY-RXFWQSSRSA-N 1 1 476.581 2.846 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748537 720877273 /nfs/dbraw/zinc/87/72/73/720877273.db2.gz FVGSFQRPCMLSQT-CJFMBICVSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748537 720877276 /nfs/dbraw/zinc/87/72/76/720877276.db2.gz FVGSFQRPCMLSQT-CJFMBICVSA-N 1 1 469.033 2.926 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749935 720881371 /nfs/dbraw/zinc/88/13/71/720881371.db2.gz IEDIFCCWXFJMEZ-CPJSRVTESA-N 1 1 498.653 2.920 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756268 720883570 /nfs/dbraw/zinc/88/35/70/720883570.db2.gz OYUFWUGCHSXGOY-CPJSRVTESA-N 1 1 486.016 2.996 20 0 JFADMO COC(=O)Cc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753952 720886907 /nfs/dbraw/zinc/88/69/07/720886907.db2.gz HXRGAKAYRAGDTC-BKMJKUGQSA-N 1 1 450.583 2.947 20 0 JFADMO NC(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755348 720890971 /nfs/dbraw/zinc/89/09/71/720890971.db2.gz LDSWXHXNQOWMNA-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO NC(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755350 720891174 /nfs/dbraw/zinc/89/11/74/720891174.db2.gz LDSWXHXNQOWMNA-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)c1cc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2n1C ZINC001164753175 720906822 /nfs/dbraw/zinc/90/68/22/720906822.db2.gz QTIBFWKXSWQVJN-AJTFRIOCSA-N 1 1 490.608 2.905 20 0 JFADMO NC(=O)c1ccnc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754988 720930467 /nfs/dbraw/zinc/93/04/67/720930467.db2.gz XSLNIBZBEHHGTP-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164763009 721024763 /nfs/dbraw/zinc/02/47/63/721024763.db2.gz XAWLRGDKHWVFNC-GOSISDBHSA-N 1 1 493.641 2.931 20 0 JFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863289 721033732 /nfs/dbraw/zinc/03/37/32/721033732.db2.gz QKDQLGUABNSHOP-UHFFFAOYSA-N 1 1 451.865 2.876 20 0 JFADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164861149 721035302 /nfs/dbraw/zinc/03/53/02/721035302.db2.gz DHJRAUMDGOOKFQ-LJAQVGFWSA-N 1 1 496.615 2.879 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866201 721076475 /nfs/dbraw/zinc/07/64/75/721076475.db2.gz SAECLJROTKXAHD-JKSUJKDBSA-N 1 1 452.889 2.941 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164865570 721087379 /nfs/dbraw/zinc/08/73/79/721087379.db2.gz NCBZNZSGAXBDEO-FUPPJEDESA-N 1 1 477.613 2.831 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164865572 721087902 /nfs/dbraw/zinc/08/79/02/721087902.db2.gz NCBZNZSGAXBDEO-QNWVGRARSA-N 1 1 477.613 2.831 20 0 JFADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864562 721090734 /nfs/dbraw/zinc/09/07/34/721090734.db2.gz GHXDQNQCBZIKAW-UXHICEINSA-N 1 1 464.570 2.853 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)ncc4C(=O)OCC4CC4)C[C@H]3C2)cn1 ZINC001164773255 721114051 /nfs/dbraw/zinc/11/40/51/721114051.db2.gz XNZWVZYBODJHGP-IAGOWNOFSA-N 1 1 480.947 2.934 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869808 721129921 /nfs/dbraw/zinc/12/99/21/721129921.db2.gz BUGNBUUDQCWXRC-IRXDYDNUSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869809 721131249 /nfs/dbraw/zinc/13/12/49/721131249.db2.gz BUGNBUUDQCWXRC-SJORKVTESA-N 1 1 452.889 2.941 20 0 JFADMO CC[C@@H]1C(=O)Nc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164769888 721133033 /nfs/dbraw/zinc/13/30/33/721133033.db2.gz PXVXGNCXOWTERW-CNNODRBYSA-N 1 1 464.618 2.648 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164877613 721156495 /nfs/dbraw/zinc/15/64/95/721156495.db2.gz PBDVOYYHTKENBO-DLBZAZTESA-N 1 1 471.974 2.714 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164880937 721156535 /nfs/dbraw/zinc/15/65/35/721156535.db2.gz XWUSEELUHWDTOH-PKTZIBPZSA-N 1 1 489.599 2.817 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C[C@@H]3C2)cn1 ZINC001164773957 721158553 /nfs/dbraw/zinc/15/85/53/721158553.db2.gz ZLEPWJDGUJOATK-UNMCSNQZSA-N 1 1 459.602 2.616 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164877616 721159209 /nfs/dbraw/zinc/15/92/09/721159209.db2.gz PBDVOYYHTKENBO-SJORKVTESA-N 1 1 471.974 2.714 20 0 JFADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164762476 721174571 /nfs/dbraw/zinc/17/45/71/721174571.db2.gz CGWZMOKJSMJFBS-QOEWUMFVSA-N 1 1 480.613 2.944 20 0 JFADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164879864 721176629 /nfs/dbraw/zinc/17/66/29/721176629.db2.gz UUDZPRNOMXUTRG-VWNXMTODSA-N 1 1 460.582 2.996 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164762584 721177199 /nfs/dbraw/zinc/17/71/99/721177199.db2.gz CVNASFMHQCBOIL-SFTDATJTSA-N 1 1 496.637 2.973 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164762584 721177205 /nfs/dbraw/zinc/17/72/05/721177205.db2.gz CVNASFMHQCBOIL-SFTDATJTSA-N 1 1 496.637 2.973 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164766626 721253095 /nfs/dbraw/zinc/25/30/95/721253095.db2.gz UZLPIAXQXFJOEK-FGCOXFRFSA-N 1 1 473.577 2.643 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164766626 721253098 /nfs/dbraw/zinc/25/30/98/721253098.db2.gz UZLPIAXQXFJOEK-FGCOXFRFSA-N 1 1 473.577 2.643 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)CC2)C1 ZINC001164874469 721277417 /nfs/dbraw/zinc/27/74/17/721277417.db2.gz SBLIDEMSJCLWSB-UHFFFAOYSA-N 1 1 467.010 2.697 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4c(Cl)cccc4nc3Cl)CC2)C1 ZINC001164877512 721291877 /nfs/dbraw/zinc/29/18/77/721291877.db2.gz NIXIMVSDGDRHSL-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164879961 721307439 /nfs/dbraw/zinc/30/74/39/721307439.db2.gz OFXMFDJHGGZHKK-FGZHOGPDSA-N 1 1 475.618 2.792 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001164879961 721307442 /nfs/dbraw/zinc/30/74/42/721307442.db2.gz OFXMFDJHGGZHKK-FGZHOGPDSA-N 1 1 475.618 2.792 20 0 JFADMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880656 721321308 /nfs/dbraw/zinc/32/13/08/721321308.db2.gz YVHFXAIQXOEBAV-IDNYDCHQSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1)c1ccnnc1 ZINC001164875628 721322719 /nfs/dbraw/zinc/32/27/19/721322719.db2.gz GHTOWMNPRAPDFJ-SCWSEQNSSA-N 1 1 456.978 2.535 20 0 JFADMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1)c1ccnnc1 ZINC001164875626 721322738 /nfs/dbraw/zinc/32/27/38/721322738.db2.gz GHTOWMNPRAPDFJ-NBHGPNQESA-N 1 1 456.978 2.535 20 0 JFADMO CN(C)C1=[NH+]OC2(C1)CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164876909 721327037 /nfs/dbraw/zinc/32/70/37/721327037.db2.gz SEDNABVNEROAML-OAQYLSRUSA-N 1 1 465.961 2.627 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4scnc4c(N4CCOCC4)n3)C2)C1 ZINC001164779075 721342921 /nfs/dbraw/zinc/34/29/21/721342921.db2.gz QHWZLWKOPQRGEX-XMMPIXPASA-N 1 1 499.641 2.647 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4scnc4c(N4CCOCC4)n3)C2)C1 ZINC001164779075 721342925 /nfs/dbraw/zinc/34/29/25/721342925.db2.gz QHWZLWKOPQRGEX-XMMPIXPASA-N 1 1 499.641 2.647 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164779317 721354107 /nfs/dbraw/zinc/35/41/07/721354107.db2.gz SDLAYDBLVACJLN-HXUWFJFHSA-N 1 1 469.373 2.606 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)nc3C(N)=O)C2)C1 ZINC001164779317 721354111 /nfs/dbraw/zinc/35/41/11/721354111.db2.gz SDLAYDBLVACJLN-HXUWFJFHSA-N 1 1 469.373 2.606 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC001164783998 721357283 /nfs/dbraw/zinc/35/72/83/721357283.db2.gz QCKFOXCACGLHOI-AREMUKBSSA-N 1 1 498.628 2.590 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC001164783998 721357290 /nfs/dbraw/zinc/35/72/90/721357290.db2.gz QCKFOXCACGLHOI-AREMUKBSSA-N 1 1 498.628 2.590 20 0 JFADMO COC(OC)c1c(CO)ccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780278 721360144 /nfs/dbraw/zinc/36/01/44/721360144.db2.gz FMJBEQJAGNAQEK-XMMPIXPASA-N 1 1 460.575 2.589 20 0 JFADMO COC(OC)c1c(CO)ccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780278 721360151 /nfs/dbraw/zinc/36/01/51/721360151.db2.gz FMJBEQJAGNAQEK-XMMPIXPASA-N 1 1 460.575 2.589 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786951 721377169 /nfs/dbraw/zinc/37/71/69/721377169.db2.gz VOLOIMJTIFJZJL-FQRUVTKNSA-N 1 1 483.613 2.868 20 0 JFADMO CCOC(=O)[C@@H]1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164786951 721377175 /nfs/dbraw/zinc/37/71/75/721377175.db2.gz VOLOIMJTIFJZJL-FQRUVTKNSA-N 1 1 483.613 2.868 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4C(=O)NC4CCCCC4)C3)O2)CC1 ZINC001164893551 721387209 /nfs/dbraw/zinc/38/72/09/721387209.db2.gz VCDCHCKFVHFXTM-BKMJKUGQSA-N 1 1 455.647 2.910 20 0 JFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891363 721400334 /nfs/dbraw/zinc/40/03/34/721400334.db2.gz VMMMTZWHFDHJKQ-WZONZLPQSA-N 1 1 451.011 2.986 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cnc1Cl ZINC001164890998 721400563 /nfs/dbraw/zinc/40/05/63/721400563.db2.gz UWSQFTLWYASXSX-UWJYYQICSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164888901 721407480 /nfs/dbraw/zinc/40/74/80/721407480.db2.gz PDRJXAUMZUHLCP-HRAATJIYSA-N 1 1 472.964 2.832 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891384 721417827 /nfs/dbraw/zinc/41/78/27/721417827.db2.gz VRWLNZVNYRAVBM-WZONZLPQSA-N 1 1 451.011 2.986 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888894 721424964 /nfs/dbraw/zinc/42/49/64/721424964.db2.gz BDDBDWBFTKTRHH-CUNXSJBXSA-N 1 1 480.657 2.781 20 0 JFADMO COC(=O)c1cc2c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH]c(Cl)cc-2n1 ZINC001164890287 721425381 /nfs/dbraw/zinc/42/53/81/721425381.db2.gz DBANVPRMQTZDKS-WAIKUNEKSA-N 1 1 461.994 2.768 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164898370 721426242 /nfs/dbraw/zinc/42/62/42/721426242.db2.gz VUIMRDLAXAMEBE-BCHFMIIMSA-N 1 1 487.645 2.618 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894381 721428632 /nfs/dbraw/zinc/42/86/32/721428632.db2.gz LXGDITUHCSZOGQ-DYESRHJHSA-N 1 1 466.964 2.989 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCCC4)C3)O2)CC1 ZINC001164897955 721431847 /nfs/dbraw/zinc/43/18/47/721431847.db2.gz VFZUDHAVSYCDCY-QFQXNSOFSA-N 1 1 450.631 2.995 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2)C1 ZINC001164890775 721433563 /nfs/dbraw/zinc/43/35/63/721433563.db2.gz FKESKGQBDNMMRY-WHSBFGAESA-N 1 1 455.647 2.719 20 0 JFADMO COc1ccc(OC)c(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164891604 721441387 /nfs/dbraw/zinc/44/13/87/721441387.db2.gz HIDOTJFNIUOIBR-LVXARBLLSA-N 1 1 467.614 2.926 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C(=O)OC)CC2 ZINC001164787808 721450746 /nfs/dbraw/zinc/45/07/46/721450746.db2.gz QSCSEQSONIZBBE-QGZVFWFLSA-N 1 1 452.983 2.651 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164788737 721457400 /nfs/dbraw/zinc/45/74/00/721457400.db2.gz TWYGPMIZCMZHGC-SFHVURJKSA-N 1 1 467.010 2.579 20 0 JFADMO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164782794 721460331 /nfs/dbraw/zinc/46/03/31/721460331.db2.gz CBHPGYPZPTVDQO-LJQANCHMSA-N 1 1 481.037 2.970 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164791248 721467485 /nfs/dbraw/zinc/46/74/85/721467485.db2.gz VZJKVYFSQNFXPX-QFIPXVFZSA-N 1 1 492.686 2.600 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CN(C)CC3)CC2 ZINC001164790648 721471595 /nfs/dbraw/zinc/47/15/95/721471595.db2.gz TWHULWAPYMXSGP-IBGZPJMESA-N 1 1 464.054 2.852 20 0 JFADMO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164788768 721473880 /nfs/dbraw/zinc/47/38/80/721473880.db2.gz KDIXACLQBBXZLH-FQEVSTJZSA-N 1 1 451.633 2.609 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)c2)CC1 ZINC001164899759 721495510 /nfs/dbraw/zinc/49/55/10/721495510.db2.gz KUFGAJJMHFHRFQ-XQBPLPMBSA-N 1 1 480.642 2.777 20 0 JFADMO C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900187 721495634 /nfs/dbraw/zinc/49/56/34/721495634.db2.gz NDAJCVWISHXLKC-HLAWJBBLSA-N 1 1 450.616 2.898 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164804580 721550860 /nfs/dbraw/zinc/55/08/60/721550860.db2.gz KLULNBKFWHEULP-OYRHQHFDSA-N 1 1 458.566 2.626 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3nc2N2CCOCC2)[C@@H]2CCCO[C@@H]12 ZINC001164811168 721552518 /nfs/dbraw/zinc/55/25/18/721552518.db2.gz ZAZKDNPCNCJHDN-WXFUMESZSA-N 1 1 460.582 2.730 20 0 JFADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCCC1 ZINC001164904216 721559993 /nfs/dbraw/zinc/55/99/93/721559993.db2.gz DKXXBXLFFVYDHR-CTNGQTDRSA-N 1 1 460.575 2.737 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164807275 721563527 /nfs/dbraw/zinc/56/35/27/721563527.db2.gz SFWRGIRTJVUNKN-OKZBNKHCSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)[nH]1 ZINC001164807275 721563530 /nfs/dbraw/zinc/56/35/30/721563530.db2.gz SFWRGIRTJVUNKN-OKZBNKHCSA-N 1 1 456.934 2.661 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801406 721571776 /nfs/dbraw/zinc/57/17/76/721571776.db2.gz GNEJZVRXJKHUJY-WMTXJRDZSA-N 1 1 495.605 2.936 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801406 721571780 /nfs/dbraw/zinc/57/17/80/721571780.db2.gz GNEJZVRXJKHUJY-WMTXJRDZSA-N 1 1 495.605 2.936 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164807853 721574575 /nfs/dbraw/zinc/57/45/75/721574575.db2.gz TXKGJFKPTXRDFW-XYJFISCASA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164807853 721574577 /nfs/dbraw/zinc/57/45/77/721574577.db2.gz TXKGJFKPTXRDFW-XYJFISCASA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1C ZINC001164802302 721574786 /nfs/dbraw/zinc/57/47/86/721574786.db2.gz IAQUYNMMBKKEEO-NZSAHSFTSA-N 1 1 470.961 2.672 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1C ZINC001164802302 721574789 /nfs/dbraw/zinc/57/47/89/721574789.db2.gz IAQUYNMMBKKEEO-NZSAHSFTSA-N 1 1 470.961 2.672 20 0 JFADMO COCCN1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2C1=O ZINC001164900939 721575308 /nfs/dbraw/zinc/57/53/08/721575308.db2.gz BEZFNCNLFOYAQQ-FUHWJXTLSA-N 1 1 455.628 2.707 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)C1 ZINC001164801828 721579593 /nfs/dbraw/zinc/57/95/93/721579593.db2.gz FWYNZOLHJPVAPN-ILSIFQBBSA-N 1 1 480.613 2.519 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)C1 ZINC001164801820 721579696 /nfs/dbraw/zinc/57/96/96/721579696.db2.gz FWYNZOLHJPVAPN-APDHKMKFSA-N 1 1 480.613 2.519 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164804137 721581104 /nfs/dbraw/zinc/58/11/04/721581104.db2.gz IYPZQSWLHCHWOI-GPXNEJASSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164804137 721581106 /nfs/dbraw/zinc/58/11/06/721581106.db2.gz IYPZQSWLHCHWOI-GPXNEJASSA-N 1 1 473.643 2.812 20 0 JFADMO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCOCC1 ZINC001164799518 721596196 /nfs/dbraw/zinc/59/61/96/721596196.db2.gz MTNIKOFPLITITL-AQNXPRMDSA-N 1 1 497.665 2.761 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)c2c1C ZINC001164796081 721596201 /nfs/dbraw/zinc/59/62/01/721596201.db2.gz BOMHNGVOMXYJTQ-HSALFYBXSA-N 1 1 485.654 2.889 20 0 JFADMO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCOCC1 ZINC001164799516 721596206 /nfs/dbraw/zinc/59/62/06/721596206.db2.gz MTNIKOFPLITITL-AABGKKOBSA-N 1 1 497.665 2.761 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c2c1C ZINC001164801535 721598879 /nfs/dbraw/zinc/59/88/79/721598879.db2.gz OYZSWYYPMNQQGW-HOJAQTOUSA-N 1 1 493.637 2.718 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164907390 721712846 /nfs/dbraw/zinc/71/28/46/721712846.db2.gz RKKBWYKQPAOQIY-XMMPIXPASA-N 1 1 486.567 2.999 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908149 721722339 /nfs/dbraw/zinc/72/23/39/721722339.db2.gz WBNJCBVDWATTPG-AUSOSSAASA-N 1 1 479.553 2.523 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908149 721722347 /nfs/dbraw/zinc/72/23/47/721722347.db2.gz WBNJCBVDWATTPG-AUSOSSAASA-N 1 1 479.553 2.523 20 0 JFADMO O=S(=O)(c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1)N1CCCC1 ZINC001164909770 721730640 /nfs/dbraw/zinc/73/06/40/721730640.db2.gz DMTJIBYPAZHFPA-QFIPXVFZSA-N 1 1 477.581 2.999 20 0 JFADMO C[NH+]1CCN(c2nccc(N3C[C@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164913450 721742629 /nfs/dbraw/zinc/74/26/29/721742629.db2.gz VVNIQOPRFZSPPJ-KCWPFWIISA-N 1 1 469.593 2.651 20 0 JFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2 ZINC001164911412 721762324 /nfs/dbraw/zinc/76/23/24/721762324.db2.gz OQNCNMFUHIQYTD-UHFFFAOYSA-N 1 1 453.568 2.705 20 0 JFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2 ZINC001164911412 721762329 /nfs/dbraw/zinc/76/23/29/721762329.db2.gz OQNCNMFUHIQYTD-UHFFFAOYSA-N 1 1 453.568 2.705 20 0 JFADMO Clc1cc(-c2ccncc2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910150 721772580 /nfs/dbraw/zinc/77/25/80/721772580.db2.gz ABSJBJHUFQEGKC-QHCPKHFHSA-N 1 1 452.946 2.695 20 0 JFADMO Clc1cc(-c2ccncc2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910150 721772593 /nfs/dbraw/zinc/77/25/93/721772593.db2.gz ABSJBJHUFQEGKC-QHCPKHFHSA-N 1 1 452.946 2.695 20 0 JFADMO O=C([C@@H]1C[C@@]2(CO1)CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165016205 721775295 /nfs/dbraw/zinc/77/52/95/721775295.db2.gz OLIXBMXSEBXTGV-LSYYVWMOSA-N 1 1 476.621 2.874 20 0 JFADMO O=C([C@H]1C[C@]2(CO1)CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165016201 721775436 /nfs/dbraw/zinc/77/54/36/721775436.db2.gz OLIXBMXSEBXTGV-LEAFIULHSA-N 1 1 476.621 2.874 20 0 JFADMO c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c12 ZINC001164915644 721786077 /nfs/dbraw/zinc/78/60/77/721786077.db2.gz MJMAMPVDKOVCBM-MHZLTWQESA-N 1 1 470.577 2.982 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCOC[C@@]4(CN(C(=O)C(C)C)CCO4)C3)c2c1C ZINC001165023613 721787735 /nfs/dbraw/zinc/78/77/35/721787735.db2.gz PSCJWKUMUROYSY-VWLOTQADSA-N 1 1 487.670 2.994 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165017574 721795275 /nfs/dbraw/zinc/79/52/75/721795275.db2.gz GFGXLBHRGFXVEV-FTJBHMTQSA-N 1 1 485.588 2.660 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165017574 721795277 /nfs/dbraw/zinc/79/52/77/721795277.db2.gz GFGXLBHRGFXVEV-FTJBHMTQSA-N 1 1 485.588 2.660 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165017571 721795364 /nfs/dbraw/zinc/79/53/64/721795364.db2.gz GFGXLBHRGFXVEV-CLJLJLNGSA-N 1 1 485.588 2.660 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]32)cc1 ZINC001165017571 721795374 /nfs/dbraw/zinc/79/53/74/721795374.db2.gz GFGXLBHRGFXVEV-CLJLJLNGSA-N 1 1 485.588 2.660 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C(=O)OCC ZINC001165024589 721806425 /nfs/dbraw/zinc/80/64/25/721806425.db2.gz MHDVSBDLLOVJHD-DZFGPLHGSA-N 1 1 467.570 2.962 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C(=O)OCC ZINC001165024595 721806706 /nfs/dbraw/zinc/80/67/06/721806706.db2.gz MHDVSBDLLOVJHD-WMQCIHAUSA-N 1 1 467.570 2.962 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@@H]21 ZINC001165028137 721818316 /nfs/dbraw/zinc/81/83/16/721818316.db2.gz WLAKZLQSBQFDRG-ILWGZMRPSA-N 1 1 455.628 2.998 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027065 721822503 /nfs/dbraw/zinc/82/25/03/721822503.db2.gz RNTRDTOUURMJHS-LZNVNXOZSA-N 1 1 457.600 2.523 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@H]21 ZINC001165024674 721827650 /nfs/dbraw/zinc/82/76/50/721827650.db2.gz KYURDQIYQQCKHB-UEVCKROQSA-N 1 1 455.628 2.998 20 0 JFADMO CCOC(=O)C1(F)CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001165016940 721834545 /nfs/dbraw/zinc/83/45/45/721834545.db2.gz IFHWKROCIHFBRF-QGZVFWFLSA-N 1 1 464.582 2.752 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1=O ZINC001164922027 721844214 /nfs/dbraw/zinc/84/42/14/721844214.db2.gz PSXPVTIHWQYNFO-RBUKOAKNSA-N 1 1 473.643 2.604 20 0 JFADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922590 721875375 /nfs/dbraw/zinc/87/53/75/721875375.db2.gz HASRBUGUYNRYDK-RTBURBONSA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922590 721875376 /nfs/dbraw/zinc/87/53/76/721875376.db2.gz HASRBUGUYNRYDK-RTBURBONSA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922587 721875465 /nfs/dbraw/zinc/87/54/65/721875465.db2.gz HASRBUGUYNRYDK-MOPGFXCFSA-N 1 1 475.018 2.536 20 0 JFADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922587 721875467 /nfs/dbraw/zinc/87/54/67/721875467.db2.gz HASRBUGUYNRYDK-MOPGFXCFSA-N 1 1 475.018 2.536 20 0 JFADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]12)NC1CCC1 ZINC001164934655 721895872 /nfs/dbraw/zinc/89/58/72/721895872.db2.gz RSCHYULAZSXNNE-HOKHCIIBSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]12)NC1CCC1 ZINC001164934655 721895873 /nfs/dbraw/zinc/89/58/73/721895873.db2.gz RSCHYULAZSXNNE-HOKHCIIBSA-N 1 1 461.610 2.935 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165036338 721915638 /nfs/dbraw/zinc/91/56/38/721915638.db2.gz BVIYOTDFONTRTM-KZNAEPCWSA-N 1 1 464.561 2.527 20 0 JFADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@H](c5ccncc5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165041123 721928352 /nfs/dbraw/zinc/92/83/52/721928352.db2.gz YVFKTDRWGFSYAJ-FQEVSTJZSA-N 1 1 479.654 2.664 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1 ZINC001164945908 721974529 /nfs/dbraw/zinc/97/45/29/721974529.db2.gz HBFFRWRZUDYYCF-UHFFFAOYSA-N 1 1 459.550 2.778 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1 ZINC001164945908 721974531 /nfs/dbraw/zinc/97/45/31/721974531.db2.gz HBFFRWRZUDYYCF-UHFFFAOYSA-N 1 1 459.550 2.778 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCN(S(=O)(=O)N(C)C)C[C@H]4C3)c2c1C ZINC001164947309 721989282 /nfs/dbraw/zinc/98/92/82/721989282.db2.gz CHDGWZBJZQSEOF-RBUKOAKNSA-N 1 1 492.715 2.859 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955927 722019560 /nfs/dbraw/zinc/01/95/60/722019560.db2.gz TZIFGYUBNUUROQ-UHFFFAOYSA-N 1 1 450.587 2.754 20 0 JFADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@@H]23)cn1 ZINC001164956692 722031139 /nfs/dbraw/zinc/03/11/39/722031139.db2.gz IDISEGMPSSPDPE-GSLIJJQTSA-N 1 1 486.620 2.645 20 0 JFADMO O=C([C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164959127 722045033 /nfs/dbraw/zinc/04/50/33/722045033.db2.gz HGZPVWSOPQEMGD-XMMPIXPASA-N 1 1 476.621 2.874 20 0 JFADMO O=S(=O)(c1ccccc1)n1c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc2c1ncnc2Cl ZINC001164966579 722074571 /nfs/dbraw/zinc/07/45/71/722074571.db2.gz CEDLGCNCRYPGCC-CALCHBBNSA-N 1 1 473.986 2.621 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164967776 722074637 /nfs/dbraw/zinc/07/46/37/722074637.db2.gz WBOHEHSWVBXPRH-AKHDSKFASA-N 1 1 476.572 2.525 20 0 JFADMO CC(C)CN(c1cccc(N2CCN(C)CC2)n1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164968121 722078628 /nfs/dbraw/zinc/07/86/28/722078628.db2.gz RIPXKTWJMDEYDP-UHFFFAOYSA-N 1 1 491.684 2.947 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C(=O)N(Cc5cccc(F)c5)CCO[C@H]4C3)c2)CC1 ZINC001164970351 722082512 /nfs/dbraw/zinc/08/25/12/722082512.db2.gz WUXGYAAEPUKXIS-RPWUZVMVSA-N 1 1 468.573 2.948 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@@H]32)nc1 ZINC001164978672 722093779 /nfs/dbraw/zinc/09/37/79/722093779.db2.gz JBNHLDSBEKRSEX-OQLXKQOESA-N 1 1 452.603 2.918 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982715 722101534 /nfs/dbraw/zinc/10/15/34/722101534.db2.gz OCISFHDGSSMFEO-AEFFLSMTSA-N 1 1 481.931 2.974 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983777 722135091 /nfs/dbraw/zinc/13/50/91/722135091.db2.gz UURUVPIHAMPOFX-OFNKIYASSA-N 1 1 495.605 2.795 20 0 JFADMO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983845 722136377 /nfs/dbraw/zinc/13/63/77/722136377.db2.gz VRURBASIQXQLLW-QAPCUYQASA-N 1 1 451.905 2.501 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164972556 722137580 /nfs/dbraw/zinc/13/75/80/722137580.db2.gz ACCONUIYEWHKGI-QFBILLFUSA-N 1 1 470.961 2.531 20 0 JFADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c12 ZINC001164984512 722178059 /nfs/dbraw/zinc/17/80/59/722178059.db2.gz FCFXBXNTUMIGAI-QZTJIDSGSA-N 1 1 456.572 2.769 20 0 JFADMO C[NH+]1CCN(c2nccc(N3CCC4(C=C(C(=O)NCC5CC5)c5ccccc54)CC3)n2)CC1 ZINC001164999527 722220832 /nfs/dbraw/zinc/22/08/32/722220832.db2.gz SVXMENFUNUZFNT-UHFFFAOYSA-N 1 1 458.610 2.690 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c(Cl)nc(Cl)nc42)CC3)CC1 ZINC001164996056 722231395 /nfs/dbraw/zinc/23/13/95/722231395.db2.gz BWHYULSKTPATSM-UHFFFAOYSA-N 1 1 480.791 2.527 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccncc4)nc4sccc42)CC3)CC1 ZINC001165001861 722239081 /nfs/dbraw/zinc/23/90/81/722239081.db2.gz NODZTASURZBKJY-UHFFFAOYSA-N 1 1 458.595 2.900 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2cccc(Cn3ccnc3)c2)ccc1F ZINC001264564777 1059615178 /nfs/dbraw/zinc/61/51/78/1059615178.db2.gz GIIVUVJEEHWXEP-UHFFFAOYSA-N 1 1 451.502 2.984 20 0 JFADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@]12C[C@H]1CCCN2C(=O)OC(C)(C)C ZINC001264826503 1059696766 /nfs/dbraw/zinc/69/67/66/1059696766.db2.gz QGCBGLVPBKZWLA-CJAUYULYSA-N 1 1 472.586 2.811 20 0 JFADMO COCCOc1ccc(-n2nc(C)c(C(=O)NC[C@H](C)[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC001264872006 1059711478 /nfs/dbraw/zinc/71/14/78/1059711478.db2.gz BQAUHTBYFCFOJZ-INIZCTEOSA-N 1 1 455.584 2.839 20 0 JFADMO COCCOc1ccc(-n2nc(C)c(C(=O)NC[C@H](C)[N@H+]3CCc4sccc4C3)n2)cc1 ZINC001264872006 1059711498 /nfs/dbraw/zinc/71/14/98/1059711498.db2.gz BQAUHTBYFCFOJZ-INIZCTEOSA-N 1 1 455.584 2.839 20 0 JFADMO CCOc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)cc1Cl ZINC001264943679 1059734514 /nfs/dbraw/zinc/73/45/14/1059734514.db2.gz PGSBGAATUDBYCG-UHFFFAOYSA-N 1 1 452.964 2.712 20 0 JFADMO CCOc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)cc1Cl ZINC001264943679 1059734529 /nfs/dbraw/zinc/73/45/29/1059734529.db2.gz PGSBGAATUDBYCG-UHFFFAOYSA-N 1 1 452.964 2.712 20 0 JFADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F ZINC001264948297 1059735541 /nfs/dbraw/zinc/73/55/41/1059735541.db2.gz DPQJNQUUZHBCKC-WOJBJXKFSA-N 1 1 454.546 2.918 20 0 JFADMO C[C@@H](c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1)[NH+]1CCOCC1 ZINC001265035171 1059756098 /nfs/dbraw/zinc/75/60/98/1059756098.db2.gz VQFYIXBANYJQRK-UPCLLVRISA-N 1 1 454.502 2.625 20 0 JFADMO C[C@H](c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1)[NH+]1CCOCC1 ZINC001265035172 1059756577 /nfs/dbraw/zinc/75/65/77/1059756577.db2.gz VQFYIXBANYJQRK-VOIUYBSRSA-N 1 1 454.502 2.625 20 0 JFADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001265053752 1059757885 /nfs/dbraw/zinc/75/78/85/1059757885.db2.gz FVWGZHXEOGNGLS-FGZHOGPDSA-N 1 1 459.616 2.656 20 0 JFADMO Cc1sc(Br)nc1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265063121 1059759712 /nfs/dbraw/zinc/75/97/12/1059759712.db2.gz GDNICKMNWWAPHR-OAHLLOKOSA-N 1 1 451.390 2.841 20 0 JFADMO COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001265393783 1059842255 /nfs/dbraw/zinc/84/22/55/1059842255.db2.gz IRYGYTIZWNABDH-DNVKUUNQSA-N 1 1 450.583 2.542 20 0 JFADMO C[C@@H](NC(=O)c1cncc(I)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400117 1059844101 /nfs/dbraw/zinc/84/41/01/1059844101.db2.gz LSGNDWGKJAPFKA-KDOFPFPSSA-N 1 1 451.308 2.706 20 0 JFADMO C[C@@H](NC(=O)c1cncc(I)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400117 1059844127 /nfs/dbraw/zinc/84/41/27/1059844127.db2.gz LSGNDWGKJAPFKA-KDOFPFPSSA-N 1 1 451.308 2.706 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC001265595984 1059894464 /nfs/dbraw/zinc/89/44/64/1059894464.db2.gz QENTULWJLMWGNF-SFHVURJKSA-N 1 1 457.918 2.684 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)CC1 ZINC001265681201 1059909753 /nfs/dbraw/zinc/90/97/53/1059909753.db2.gz KDBFKYCPACYURK-LJQANCHMSA-N 1 1 452.530 2.524 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)CC1 ZINC001265681200 1059909839 /nfs/dbraw/zinc/90/98/39/1059909839.db2.gz KDBFKYCPACYURK-IBGZPJMESA-N 1 1 452.530 2.524 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cccn(Cc4ccccc4)c3=O)cc2)CC1 ZINC001265681403 1059909957 /nfs/dbraw/zinc/90/99/57/1059909957.db2.gz RYUKXQSSZAMPMM-UHFFFAOYSA-N 1 1 458.562 2.856 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC001265849932 1059935992 /nfs/dbraw/zinc/93/59/92/1059935992.db2.gz LLFQBTZHGIDRON-RZRCNZQPSA-N 1 1 451.546 2.519 20 0 JFADMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)C1 ZINC000617450682 1059964779 /nfs/dbraw/zinc/96/47/79/1059964779.db2.gz HJPYKGSGQIAGEK-IBGZPJMESA-N 1 1 459.568 2.863 20 0 JFADMO CCS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)(c2ccccc2)CC1 ZINC001280197948 1060001092 /nfs/dbraw/zinc/00/10/92/1060001092.db2.gz ZOYFFHGKNCBWOU-QHCPKHFHSA-N 1 1 455.624 2.761 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286837545 1061093032 /nfs/dbraw/zinc/09/30/32/1061093032.db2.gz DRUAWWDKFMDFTD-LJQANCHMSA-N 1 1 496.660 2.883 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001286841605 1061108289 /nfs/dbraw/zinc/10/82/89/1061108289.db2.gz MSGODWKVNYXSIH-HSZRJFAPSA-N 1 1 470.618 2.968 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001286842819 1061117916 /nfs/dbraw/zinc/11/79/16/1061117916.db2.gz CATNXFHDCAHFOP-UHFFFAOYSA-N 1 1 452.603 2.609 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286843075 1061119321 /nfs/dbraw/zinc/11/93/21/1061119321.db2.gz FNRXPVWVEXAXIQ-LJQANCHMSA-N 1 1 474.675 2.878 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286843471 1061123039 /nfs/dbraw/zinc/12/30/39/1061123039.db2.gz TXOQCZQEDIBUAP-HXUWFJFHSA-N 1 1 473.666 2.502 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286844176 1061129555 /nfs/dbraw/zinc/12/95/55/1061129555.db2.gz MEULKPALWLPDFB-QGZVFWFLSA-N 1 1 458.582 2.926 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286847369 1061157046 /nfs/dbraw/zinc/15/70/46/1061157046.db2.gz XKLMUWAWYYMPLJ-IFMALSPDSA-N 1 1 496.660 2.742 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286847894 1061161270 /nfs/dbraw/zinc/16/12/70/1061161270.db2.gz CJGUPXJBDVHGRU-RPWUZVMVSA-N 1 1 484.693 2.812 20 0 JFADMO CC(=O)N1CCC(Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286850485 1061178585 /nfs/dbraw/zinc/17/85/85/1061178585.db2.gz GNDDABYOFLVZHS-UHFFFAOYSA-N 1 1 458.607 2.652 20 0 JFADMO CC(=O)N1CCC(Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286850485 1061178591 /nfs/dbraw/zinc/17/85/91/1061178591.db2.gz GNDDABYOFLVZHS-UHFFFAOYSA-N 1 1 458.607 2.652 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286850657 1061179585 /nfs/dbraw/zinc/17/95/85/1061179585.db2.gz PQZTZFODFIJQSZ-PKTZIBPZSA-N 1 1 454.619 2.609 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286854947 1061206728 /nfs/dbraw/zinc/20/67/28/1061206728.db2.gz WJSRSICUYKSWIV-YPAWHYETSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286854947 1061206748 /nfs/dbraw/zinc/20/67/48/1061206748.db2.gz WJSRSICUYKSWIV-YPAWHYETSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286855009 1061206996 /nfs/dbraw/zinc/20/69/96/1061206996.db2.gz XJZIGLCCBHUPDP-IEBWSBKVSA-N 1 1 458.582 2.784 20 0 JFADMO CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC001286855936 1061210723 /nfs/dbraw/zinc/21/07/23/1061210723.db2.gz RBNCJFLZCKGXQR-UHFFFAOYSA-N 1 1 470.666 2.571 20 0 JFADMO Cc1ccc(-c2nnc(N3CCCOCC3)n2C[C@H](C)[NH+]2CCOCC2)cc1Br ZINC001289594698 1061237234 /nfs/dbraw/zinc/23/72/34/1061237234.db2.gz SMOXLKUYFDKQOE-KRWDZBQOSA-N 1 1 464.408 2.963 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(O)cc4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001289595815 1061239422 /nfs/dbraw/zinc/23/94/22/1061239422.db2.gz RRBGJSZPUBDFNI-UHFFFAOYSA-N 1 1 452.559 2.855 20 0 JFADMO CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286866247 1061247720 /nfs/dbraw/zinc/24/77/20/1061247720.db2.gz BNLKZTOSBCCYSD-OYRHEFFESA-N 1 1 484.693 2.956 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC001289601808 1061247685 /nfs/dbraw/zinc/24/76/85/1061247685.db2.gz GRNLIMXTMILNAA-HDICACEKSA-N 1 1 478.663 2.685 20 0 JFADMO Cc1ccc(-c2nnc(N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)o1 ZINC001289606942 1061252776 /nfs/dbraw/zinc/25/27/76/1061252776.db2.gz GQZAVURFFHKWLP-SFHVURJKSA-N 1 1 471.562 2.782 20 0 JFADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC001289610131 1061254789 /nfs/dbraw/zinc/25/47/89/1061254789.db2.gz WMOOFTVCUNDZKN-UHFFFAOYSA-N 1 1 477.451 2.879 20 0 JFADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1Br ZINC001289610131 1061254811 /nfs/dbraw/zinc/25/48/11/1061254811.db2.gz WMOOFTVCUNDZKN-UHFFFAOYSA-N 1 1 477.451 2.879 20 0 JFADMO Cc1ccc(-c2nnc(N3CCOCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1Br ZINC001289610131 1061254835 /nfs/dbraw/zinc/25/48/35/1061254835.db2.gz WMOOFTVCUNDZKN-UHFFFAOYSA-N 1 1 477.451 2.879 20 0 JFADMO Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1Br ZINC001289613239 1061255363 /nfs/dbraw/zinc/25/53/63/1061255363.db2.gz NQZTYCZZHOSJAT-UWVAXJGDSA-N 1 1 478.435 2.944 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286868514 1061257881 /nfs/dbraw/zinc/25/78/81/1061257881.db2.gz BFEWUJWDKFXDLM-HYBUGGRVSA-N 1 1 454.619 2.743 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC12CCCCC2 ZINC001286869784 1061262738 /nfs/dbraw/zinc/26/27/38/1061262738.db2.gz HKOOLIUCFYIEAA-JOCHJYFZSA-N 1 1 487.693 2.716 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@@H]2C)CC1 ZINC001286870819 1061267935 /nfs/dbraw/zinc/26/79/35/1061267935.db2.gz KNCBXTSSONRKQR-PXNSSMCTSA-N 1 1 477.057 2.505 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)o1 ZINC001289634652 1061268547 /nfs/dbraw/zinc/26/85/47/1061268547.db2.gz DPAXFZHHBHMNQD-YADARESESA-N 1 1 461.607 2.825 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286871188 1061271187 /nfs/dbraw/zinc/27/11/87/1061271187.db2.gz MREQZFMAEKBXCG-DBTWGZIYSA-N 1 1 499.704 2.850 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286871190 1061271494 /nfs/dbraw/zinc/27/14/94/1061271494.db2.gz MREQZFMAEKBXCG-GNMGOMLTSA-N 1 1 499.704 2.850 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@H]2C)CC1 ZINC001286871449 1061272020 /nfs/dbraw/zinc/27/20/20/1061272020.db2.gz OKVVKZRRDBYKQF-GCJKJVERSA-N 1 1 473.691 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@@H]2C)CC1 ZINC001286871448 1061272213 /nfs/dbraw/zinc/27/22/13/1061272213.db2.gz OKVVKZRRDBYKQF-AVRDEDQJSA-N 1 1 473.691 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@@H]2C)CC1 ZINC001286871450 1061273330 /nfs/dbraw/zinc/27/33/30/1061273330.db2.gz OKVVKZRRDBYKQF-PGRDOPGGSA-N 1 1 473.691 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286871809 1061275456 /nfs/dbraw/zinc/27/54/56/1061275456.db2.gz QCHPTFBKVMCBIQ-NFBKMPQASA-N 1 1 460.667 2.672 20 0 JFADMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c(F)c1 ZINC001289654908 1061276810 /nfs/dbraw/zinc/27/68/10/1061276810.db2.gz CTYDPGHNKFHEDR-UHFFFAOYSA-N 1 1 460.598 2.707 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286872360 1061277984 /nfs/dbraw/zinc/27/79/84/1061277984.db2.gz UQCPGPWYUJLWMP-UWJYYQICSA-N 1 1 461.010 2.698 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001286872971 1061283647 /nfs/dbraw/zinc/28/36/47/1061283647.db2.gz ZLBVUXLEZNYKJX-UGKGYDQZSA-N 1 1 471.675 2.861 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286873447 1061286822 /nfs/dbraw/zinc/28/68/22/1061286822.db2.gz GLHFYHQJBKKDMA-UHFFFAOYSA-N 1 1 486.418 2.836 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001286874636 1061290172 /nfs/dbraw/zinc/29/01/72/1061290172.db2.gz AHTPODJCUOGHPX-WOJBJXKFSA-N 1 1 464.618 2.646 20 0 JFADMO Cc1ccc(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)n1C ZINC001289670353 1061290593 /nfs/dbraw/zinc/29/05/93/1061290593.db2.gz SHTKRYDOSOFRAQ-KDURUIRLSA-N 1 1 468.577 2.685 20 0 JFADMO Cc1ccc(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)n1C ZINC001289670353 1061290609 /nfs/dbraw/zinc/29/06/09/1061290609.db2.gz SHTKRYDOSOFRAQ-KDURUIRLSA-N 1 1 468.577 2.685 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286874733 1061290683 /nfs/dbraw/zinc/29/06/83/1061290683.db2.gz ALOUFHJYNGBMMJ-CALCHBBNSA-N 1 1 476.025 2.550 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286877671 1061296219 /nfs/dbraw/zinc/29/62/19/1061296219.db2.gz ZTWKMMPRONMHCL-KRWDZBQOSA-N 1 1 479.000 2.907 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001286878569 1061298462 /nfs/dbraw/zinc/29/84/62/1061298462.db2.gz YSOSVOZPSZOILC-OTWHNJEPSA-N 1 1 454.623 2.549 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001286886192 1061327691 /nfs/dbraw/zinc/32/76/91/1061327691.db2.gz BFAFIOKKFDBBGS-VQIMIIECSA-N 1 1 497.591 2.624 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(F)c3)C[C@@H]2C)CC1 ZINC001286886771 1061331023 /nfs/dbraw/zinc/33/10/23/1061331023.db2.gz IMAPZVVXIUNXDI-HTAPYJJXSA-N 1 1 490.599 2.922 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886975 1061332971 /nfs/dbraw/zinc/33/29/71/1061332971.db2.gz LIEWYTHLPYXJSJ-RCZVLFRGSA-N 1 1 481.689 2.912 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286887139 1061334095 /nfs/dbraw/zinc/33/40/95/1061334095.db2.gz NSGVRQPIQOORGV-PIBDYAPNSA-N 1 1 462.683 2.752 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)C[C@H]2C)CC1 ZINC001286887232 1061335055 /nfs/dbraw/zinc/33/50/55/1061335055.db2.gz POQAXBLGMAAEQC-HYBUGGRVSA-N 1 1 481.689 2.970 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001286887400 1061336080 /nfs/dbraw/zinc/33/60/80/1061336080.db2.gz QSXMEAPLBVSVFE-OFNKIYASSA-N 1 1 460.667 2.552 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001286887419 1061336122 /nfs/dbraw/zinc/33/61/22/1061336122.db2.gz QXZULXYHTKRXNB-PQNGQFLHSA-N 1 1 467.662 2.915 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC4CCCC4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286887401 1061336421 /nfs/dbraw/zinc/33/64/21/1061336421.db2.gz QSXMEAPLBVSVFE-REWPJTCUSA-N 1 1 460.667 2.552 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCSCC(C)C)C[C@@H]2C)CC1 ZINC001286887707 1061338131 /nfs/dbraw/zinc/33/81/31/1061338131.db2.gz SZPXODKSUCYYIS-UGKGYDQZSA-N 1 1 486.690 2.503 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887830 1061338920 /nfs/dbraw/zinc/33/89/20/1061338920.db2.gz UVUNBHZZSDIDCI-HNAYVOBHSA-N 1 1 497.591 2.890 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@](C)(O)c3ccccc3Cl)C[C@H]2C)CC1 ZINC001286888440 1061341021 /nfs/dbraw/zinc/34/10/21/1061341021.db2.gz YULWAUFLLLYJBH-YBGOQADZSA-N 1 1 489.064 2.951 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001289733504 1061344323 /nfs/dbraw/zinc/34/43/23/1061344323.db2.gz UNWBRKSHDJCGNM-KBMIEXCESA-N 1 1 479.585 2.745 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289735083 1061346093 /nfs/dbraw/zinc/34/60/93/1061346093.db2.gz HGSTXJOAJABWAA-RUZDIDTESA-N 1 1 467.618 2.594 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001286889805 1061351010 /nfs/dbraw/zinc/35/10/10/1061351010.db2.gz MALTWXJBCCPOPN-IBGZPJMESA-N 1 1 492.571 2.573 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3C)nnc2N(C)CCCc2ccccn2)CC1 ZINC001286890490 1061354938 /nfs/dbraw/zinc/35/49/38/1061354938.db2.gz AFZJTDLFPLMPDJ-UHFFFAOYSA-N 1 1 461.614 2.882 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001289740749 1061355051 /nfs/dbraw/zinc/35/50/51/1061355051.db2.gz PEZMXAWGYSCVRW-PZJWPPBQSA-N 1 1 481.645 2.935 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001289742516 1061358238 /nfs/dbraw/zinc/35/82/38/1061358238.db2.gz BALBMUYFNSZTDP-SFHVURJKSA-N 1 1 482.507 2.595 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCCOC(F)(F)F)cc1C ZINC001289742516 1061358258 /nfs/dbraw/zinc/35/82/58/1061358258.db2.gz BALBMUYFNSZTDP-SFHVURJKSA-N 1 1 482.507 2.595 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001286891276 1061359258 /nfs/dbraw/zinc/35/92/58/1061359258.db2.gz HRVGUDIPPKTHFQ-UHFFFAOYSA-N 1 1 486.418 2.836 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(C)n3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001286891309 1061359731 /nfs/dbraw/zinc/35/97/31/1061359731.db2.gz IHCSXUGJBXPHQV-UHFFFAOYSA-N 1 1 451.619 2.995 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001286891549 1061360922 /nfs/dbraw/zinc/36/09/22/1061360922.db2.gz JGIJZQUUGWDMLK-UHFFFAOYSA-N 1 1 494.547 2.616 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286891886 1061362641 /nfs/dbraw/zinc/36/26/41/1061362641.db2.gz QAHLWFABTOJLBC-NRFANRHFSA-N 1 1 460.623 2.826 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)C2)nc1 ZINC001289746534 1061364061 /nfs/dbraw/zinc/36/40/61/1061364061.db2.gz ABALBPLPNOSXMT-SFTDATJTSA-N 1 1 469.634 2.807 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCC(F)F)CC1 ZINC001286892425 1061364529 /nfs/dbraw/zinc/36/45/29/1061364529.db2.gz VTPXHOITXARZFN-UHFFFAOYSA-N 1 1 457.529 2.749 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001286892542 1061365126 /nfs/dbraw/zinc/36/51/26/1061365126.db2.gz WRVWFWUAIGDKBQ-QGZVFWFLSA-N 1 1 467.952 2.639 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1 ZINC001286892999 1061367237 /nfs/dbraw/zinc/36/72/37/1061367237.db2.gz BZESFGONLXUUIP-QGZVFWFLSA-N 1 1 496.641 2.763 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289748488 1061368998 /nfs/dbraw/zinc/36/89/98/1061368998.db2.gz RLJLLNSBJMZZAF-VQTJNVASSA-N 1 1 455.607 2.681 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001289752734 1061374449 /nfs/dbraw/zinc/37/44/49/1061374449.db2.gz DIYUTZFYDMHJES-HXUWFJFHSA-N 1 1 463.586 2.753 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001289752734 1061374463 /nfs/dbraw/zinc/37/44/63/1061374463.db2.gz DIYUTZFYDMHJES-HXUWFJFHSA-N 1 1 463.586 2.753 20 0 JFADMO Cc1ccc(O[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001289761083 1061383298 /nfs/dbraw/zinc/38/32/98/1061383298.db2.gz XGALFOMZJOAZFA-IFMALSPDSA-N 1 1 484.645 2.800 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289773480 1061394480 /nfs/dbraw/zinc/39/44/80/1061394480.db2.gz OFYLPNKMPVNHNL-AQNXPRMDSA-N 1 1 472.634 2.753 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CC(=O)N(C)C)cc1 ZINC001289786245 1061410771 /nfs/dbraw/zinc/41/07/71/1061410771.db2.gz DQKLFIKCVRUFCZ-NBGIEHNGSA-N 1 1 494.644 2.507 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001289799420 1061433638 /nfs/dbraw/zinc/43/36/38/1061433638.db2.gz JEFSZEYRQGNGHW-HSZRJFAPSA-N 1 1 484.645 2.614 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286907478 1061437622 /nfs/dbraw/zinc/43/76/22/1061437622.db2.gz RVOPJKQQDTZDIY-HXUWFJFHSA-N 1 1 461.010 2.814 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286907478 1061437632 /nfs/dbraw/zinc/43/76/32/1061437632.db2.gz RVOPJKQQDTZDIY-HXUWFJFHSA-N 1 1 461.010 2.814 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286911695 1061464869 /nfs/dbraw/zinc/46/48/69/1061464869.db2.gz KLFYJWXHAQFFFT-HXUWFJFHSA-N 1 1 491.036 2.726 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)Cc2ccccc2)C1 ZINC001286912394 1061469656 /nfs/dbraw/zinc/46/96/56/1061469656.db2.gz KRVXFESUNGOBFC-DEOSSOPVSA-N 1 1 461.614 2.891 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001289818593 1061476080 /nfs/dbraw/zinc/47/60/80/1061476080.db2.gz DUYSTMOBCAHOBX-QHCPKHFHSA-N 1 1 498.672 2.707 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC(=O)NCC(F)F)cc1C ZINC001289819340 1061478988 /nfs/dbraw/zinc/47/89/88/1061478988.db2.gz SLWUTICIHKNBFU-UHFFFAOYSA-N 1 1 464.561 2.776 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC001286914401 1061481926 /nfs/dbraw/zinc/48/19/26/1061481926.db2.gz JNKLTDMGCVIYJB-QHCPKHFHSA-N 1 1 468.646 2.852 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)cc1 ZINC001289825065 1061493999 /nfs/dbraw/zinc/49/39/99/1061493999.db2.gz VBJAOARSSFUGHH-UHFFFAOYSA-N 1 1 497.688 2.640 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCC(C)(C)O)cc1C ZINC001289825524 1061496790 /nfs/dbraw/zinc/49/67/90/1061496790.db2.gz BJTIFYGVLVJBJL-JOCHJYFZSA-N 1 1 457.619 2.936 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286919379 1061509081 /nfs/dbraw/zinc/50/90/81/1061509081.db2.gz GVIAXUKVWGQSBK-UHFFFAOYSA-N 1 1 484.645 2.690 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286919379 1061509101 /nfs/dbraw/zinc/50/91/01/1061509101.db2.gz GVIAXUKVWGQSBK-UHFFFAOYSA-N 1 1 484.645 2.690 20 0 JFADMO Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001289847964 1061520764 /nfs/dbraw/zinc/52/07/64/1061520764.db2.gz ALVNXKPSCJCZOB-IBGZPJMESA-N 1 1 478.663 2.586 20 0 JFADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@H]2C1 ZINC001289852183 1061524569 /nfs/dbraw/zinc/52/45/69/1061524569.db2.gz XMNHEYZXYACMHL-DRZSPHRISA-N 1 1 453.362 2.750 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286924479 1061530551 /nfs/dbraw/zinc/53/05/51/1061530551.db2.gz ZYWVSBPVRVVLIX-QUCCMNQESA-N 1 1 456.639 2.542 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286924481 1061530580 /nfs/dbraw/zinc/53/05/80/1061530580.db2.gz ZYWVSBPVRVVLIX-UYAOXDASSA-N 1 1 456.639 2.542 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286927288 1061544536 /nfs/dbraw/zinc/54/45/36/1061544536.db2.gz ITSCUPYANVUPNF-HSZRJFAPSA-N 1 1 468.646 2.527 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001289862521 1061545143 /nfs/dbraw/zinc/54/51/43/1061545143.db2.gz IKNQSRZWTZOHQA-SFTDATJTSA-N 1 1 486.686 2.783 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001289868262 1061550113 /nfs/dbraw/zinc/55/01/13/1061550113.db2.gz PVCGTAOXVYBOJR-WOJBJXKFSA-N 1 1 472.659 2.691 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001289868452 1061550605 /nfs/dbraw/zinc/55/06/05/1061550605.db2.gz RFWWSFPEJAHKFV-SANMLTNESA-N 1 1 499.729 2.854 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286929197 1061550782 /nfs/dbraw/zinc/55/07/82/1061550782.db2.gz NGHMBZNOHXKVOC-ZEQRLZLVSA-N 1 1 467.662 2.984 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286929662 1061552038 /nfs/dbraw/zinc/55/20/38/1061552038.db2.gz QAZUNEQPWLHHRI-GMAHTHKFSA-N 1 1 468.646 2.984 20 0 JFADMO CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286932227 1061561095 /nfs/dbraw/zinc/56/10/95/1061561095.db2.gz PBHFEQYNEUAJQW-BKMJKUGQSA-N 1 1 490.693 2.792 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286933940 1061567113 /nfs/dbraw/zinc/56/71/13/1061567113.db2.gz BXAHOAOKBBLPEN-FQEVSTJZSA-N 1 1 470.666 2.757 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286934445 1061569520 /nfs/dbraw/zinc/56/95/20/1061569520.db2.gz SWBITRHQFXLMOZ-BGYRXZFFSA-N 1 1 468.650 2.846 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093453 1061571910 /nfs/dbraw/zinc/57/19/10/1061571910.db2.gz DQHUFJMIIACOQX-NHCUHLMSSA-N 1 1 489.690 2.582 20 0 JFADMO Cc1cccc(C(=O)N2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001289889347 1061571923 /nfs/dbraw/zinc/57/19/23/1061571923.db2.gz DKLHGYNQEFVRKY-UHFFFAOYSA-N 1 1 483.661 2.808 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294097181 1061575513 /nfs/dbraw/zinc/57/55/13/1061575513.db2.gz YHOILGXHYSUFMV-NFBKMPQASA-N 1 1 463.648 2.673 20 0 JFADMO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001289890807 1061576386 /nfs/dbraw/zinc/57/63/86/1061576386.db2.gz XUQLHOBSNYYXDA-JOCHJYFZSA-N 1 1 454.619 2.831 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294099284 1061580216 /nfs/dbraw/zinc/58/02/16/1061580216.db2.gz MHRIYMMFOMXLNY-BOCITWAFSA-N 1 1 493.693 2.939 20 0 JFADMO CCCC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001294103160 1061582865 /nfs/dbraw/zinc/58/28/65/1061582865.db2.gz JHRSVOWZUJRBMA-QHCPKHFHSA-N 1 1 456.631 2.512 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001294103385 1061583674 /nfs/dbraw/zinc/58/36/74/1061583674.db2.gz JMVOPQHUGCTGCL-CEXWTWQISA-N 1 1 455.694 2.915 20 0 JFADMO Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001289900344 1061585561 /nfs/dbraw/zinc/58/55/61/1061585561.db2.gz DAIGSIVWHJTVBF-OAQYLSRUSA-N 1 1 470.618 2.932 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286941107 1061586718 /nfs/dbraw/zinc/58/67/18/1061586718.db2.gz KEQJGBMPFCHGOT-FXAWDEMLSA-N 1 1 474.675 2.813 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC001289904662 1061592597 /nfs/dbraw/zinc/59/25/97/1061592597.db2.gz CTLGGFZRLJIQSM-SQNIBIBYSA-N 1 1 457.604 2.680 20 0 JFADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)Cc2cccc3nsnc32)CC1)Cc1ccccc1 ZINC001294113205 1061595162 /nfs/dbraw/zinc/59/51/62/1061595162.db2.gz VJNWTSAYJWKLLG-UHFFFAOYSA-N 1 1 451.596 2.721 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001289908389 1061596773 /nfs/dbraw/zinc/59/67/73/1061596773.db2.gz GFOGRLCKHKGGHO-GHTZIAJQSA-N 1 1 456.616 2.821 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001289917665 1061610524 /nfs/dbraw/zinc/61/05/24/1061610524.db2.gz TXCKMWOVFCXWBQ-DUTUXMCTSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001289917665 1061610526 /nfs/dbraw/zinc/61/05/26/1061610526.db2.gz TXCKMWOVFCXWBQ-DUTUXMCTSA-N 1 1 468.627 2.743 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001286944476 1061612770 /nfs/dbraw/zinc/61/27/70/1061612770.db2.gz AQWOKNIKBPWQAX-CVDCTZTESA-N 1 1 488.608 2.602 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CCS(C)(=O)=O)cc1F ZINC001289930823 1061620632 /nfs/dbraw/zinc/62/06/32/1061620632.db2.gz DMODHUFLRBZMGB-UHFFFAOYSA-N 1 1 483.573 2.811 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(=O)N2CCCCCC2)n1 ZINC001289931097 1061622409 /nfs/dbraw/zinc/62/24/09/1061622409.db2.gz HDOCPJKATXZNGW-UHFFFAOYSA-N 1 1 483.661 2.988 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(=O)N2CCCCCC2)n1 ZINC001289931097 1061622420 /nfs/dbraw/zinc/62/24/20/1061622420.db2.gz HDOCPJKATXZNGW-UHFFFAOYSA-N 1 1 483.661 2.988 20 0 JFADMO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001294138491 1061623767 /nfs/dbraw/zinc/62/37/67/1061623767.db2.gz RYPPYBUZOBMBLQ-RTWAWAEBSA-N 1 1 492.665 2.935 20 0 JFADMO Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289932637 1061626935 /nfs/dbraw/zinc/62/69/35/1061626935.db2.gz WMYPFMRZIWLQJB-OYRHEFFESA-N 1 1 495.628 2.915 20 0 JFADMO Cc1ccoc1C(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001289932637 1061626950 /nfs/dbraw/zinc/62/69/50/1061626950.db2.gz WMYPFMRZIWLQJB-OYRHEFFESA-N 1 1 495.628 2.915 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286948258 1061656339 /nfs/dbraw/zinc/65/63/39/1061656339.db2.gz VEVMYIVDTRWOAB-HXUWFJFHSA-N 1 1 460.648 2.560 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001286948771 1061663887 /nfs/dbraw/zinc/66/38/87/1061663887.db2.gz WGEIOPLZLKZIRA-GMAHTHKFSA-N 1 1 489.064 2.984 20 0 JFADMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001294172704 1061675096 /nfs/dbraw/zinc/67/50/96/1061675096.db2.gz MRMYJVOFSIATRQ-OAQYLSRUSA-N 1 1 483.661 2.844 20 0 JFADMO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001294183928 1061694978 /nfs/dbraw/zinc/69/49/78/1061694978.db2.gz NBWLRSZWOQCOKF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001294183928 1061694995 /nfs/dbraw/zinc/69/49/95/1061694995.db2.gz NBWLRSZWOQCOKF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001294183928 1061695009 /nfs/dbraw/zinc/69/50/09/1061695009.db2.gz NBWLRSZWOQCOKF-UHFFFAOYSA-N 1 1 490.722 2.809 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001294188764 1061698170 /nfs/dbraw/zinc/69/81/70/1061698170.db2.gz GGUGJMFLTZZIKB-NRFANRHFSA-N 1 1 459.587 2.959 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001286955207 1061708315 /nfs/dbraw/zinc/70/83/15/1061708315.db2.gz MJPRZJVOWPYOJE-GOSISDBHSA-N 1 1 483.642 2.573 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294205938 1061710051 /nfs/dbraw/zinc/71/00/51/1061710051.db2.gz ITDXPENPDVXNOV-UHFFFAOYSA-N 1 1 475.682 2.623 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985614 1061710966 /nfs/dbraw/zinc/71/09/66/1061710966.db2.gz NULFJDGDOCVRRJ-TZIWHRDSSA-N 1 1 485.633 2.719 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985614 1061710985 /nfs/dbraw/zinc/71/09/85/1061710985.db2.gz NULFJDGDOCVRRJ-TZIWHRDSSA-N 1 1 485.633 2.719 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711097 /nfs/dbraw/zinc/71/10/97/1061711097.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 1 1 462.683 2.841 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)CC1 ZINC001294209615 1061712421 /nfs/dbraw/zinc/71/24/21/1061712421.db2.gz WUBKTYPRGIPWLC-OAQYLSRUSA-N 1 1 481.707 2.945 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 ZINC001294209671 1061713121 /nfs/dbraw/zinc/71/31/21/1061713121.db2.gz YEWHDSYZONQQHY-HXUWFJFHSA-N 1 1 455.607 2.629 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001294209856 1061713382 /nfs/dbraw/zinc/71/33/82/1061713382.db2.gz BWOXORHNRGMYPR-FQEVSTJZSA-N 1 1 469.590 2.520 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001294210522 1061714661 /nfs/dbraw/zinc/71/46/61/1061714661.db2.gz LELVWQUUBJNWRT-HXUWFJFHSA-N 1 1 455.607 2.910 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCOCC2)CC1 ZINC001294210520 1061714751 /nfs/dbraw/zinc/71/47/51/1061714751.db2.gz LELNXEABOBBWBX-UHFFFAOYSA-N 1 1 456.635 2.754 20 0 JFADMO CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001286956598 1061715648 /nfs/dbraw/zinc/71/56/48/1061715648.db2.gz QHGAQGKRGUWSTA-UHFFFAOYSA-N 1 1 456.591 2.918 20 0 JFADMO C[N@@H+](CCCOc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)s1)C1CCCC1 ZINC001294210620 1061715743 /nfs/dbraw/zinc/71/57/43/1061715743.db2.gz LJBNCKUIOKMYGW-UHFFFAOYSA-N 1 1 451.614 2.969 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001294211909 1061717102 /nfs/dbraw/zinc/71/71/02/1061717102.db2.gz VZENKNUYBFICAI-RBBKRZOGSA-N 1 1 481.645 2.936 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001294211934 1061717283 /nfs/dbraw/zinc/71/72/83/1061717283.db2.gz WPNUSDXPVLPWFQ-NRFANRHFSA-N 1 1 492.690 2.976 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294212004 1061718000 /nfs/dbraw/zinc/71/80/00/1061718000.db2.gz XKKBYPHVJNZHMV-UHFFFAOYSA-N 1 1 492.628 2.536 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001294213728 1061721555 /nfs/dbraw/zinc/72/15/55/1061721555.db2.gz CMTHATPVEONLAM-XMMPIXPASA-N 1 1 459.591 2.690 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294214307 1061722490 /nfs/dbraw/zinc/72/24/90/1061722490.db2.gz GSHJDZFEEDYCKT-SFHVURJKSA-N 1 1 497.413 2.530 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294214574 1061723189 /nfs/dbraw/zinc/72/31/89/1061723189.db2.gz JDBMPPOQGRBCOX-INIZCTEOSA-N 1 1 450.534 2.945 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001294216898 1061725470 /nfs/dbraw/zinc/72/54/70/1061725470.db2.gz KPQKQTBQDCOQTD-IBGZPJMESA-N 1 1 492.690 2.931 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001286959010 1061727091 /nfs/dbraw/zinc/72/70/91/1061727091.db2.gz RKSIJFZYOPMIKK-OPYAIIAOSA-N 1 1 487.674 2.554 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001294217137 1061727127 /nfs/dbraw/zinc/72/71/27/1061727127.db2.gz BTLSQFPVXITSLY-NRFANRHFSA-N 1 1 458.582 2.644 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001294217905 1061729167 /nfs/dbraw/zinc/72/91/67/1061729167.db2.gz ARFOWSIOEZYLPR-UHFFFAOYSA-N 1 1 470.647 2.871 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294219395 1061731061 /nfs/dbraw/zinc/73/10/61/1061731061.db2.gz YJVGXQHEHWUPLY-UYAOXDASSA-N 1 1 459.547 2.808 20 0 JFADMO COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)N2CCCC2)cc1 ZINC001290006137 1061731493 /nfs/dbraw/zinc/73/14/93/1061731493.db2.gz TWIFLUPEQBYVKK-HSZRJFAPSA-N 1 1 451.571 2.879 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294224588 1061734891 /nfs/dbraw/zinc/73/48/91/1061734891.db2.gz VFADCEJYHXOUBO-QFIPXVFZSA-N 1 1 482.677 2.513 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294225550 1061736746 /nfs/dbraw/zinc/73/67/46/1061736746.db2.gz FHCSGNCVSQVXRR-VXKWHMMOSA-N 1 1 459.660 2.981 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001294225759 1061737433 /nfs/dbraw/zinc/73/74/33/1061737433.db2.gz HTICVKDMLBVMOO-NRFANRHFSA-N 1 1 454.619 2.913 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001294225719 1061737475 /nfs/dbraw/zinc/73/74/75/1061737475.db2.gz GTDUORCNFJKLSL-RTBURBONSA-N 1 1 466.627 2.544 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294226159 1061739064 /nfs/dbraw/zinc/73/90/64/1061739064.db2.gz PHXCGXACNOQUSY-IBGZPJMESA-N 1 1 467.680 2.840 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001294228008 1061742278 /nfs/dbraw/zinc/74/22/78/1061742278.db2.gz KDXGBXPUWCBANM-HSZRJFAPSA-N 1 1 472.663 2.851 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294228938 1061744990 /nfs/dbraw/zinc/74/49/90/1061744990.db2.gz VBCWFSLQCGYIAE-UZLBHIALSA-N 1 1 462.545 2.814 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001294230695 1061748014 /nfs/dbraw/zinc/74/80/14/1061748014.db2.gz ZRXRUYDWWBAGSG-YZUZCNPQSA-N 1 1 459.639 2.644 20 0 JFADMO CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+](C)CC1 ZINC001290031950 1061748354 /nfs/dbraw/zinc/74/83/54/1061748354.db2.gz ALIDQWZMRUBZKB-INIZCTEOSA-N 1 1 454.445 2.558 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CC[S@@](=O)C(C)(C)C)CC2)c1 ZINC001290037034 1061752502 /nfs/dbraw/zinc/75/25/02/1061752502.db2.gz ASQALIRUFFOFID-GFJKYASSSA-N 1 1 459.660 2.960 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCCNc2ccc(C)c[nH+]2)cc1 ZINC001294248823 1061755410 /nfs/dbraw/zinc/75/54/10/1061755410.db2.gz WFFUPJMMAFYUAY-NRFANRHFSA-N 1 1 458.584 2.754 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001290043849 1061760320 /nfs/dbraw/zinc/76/03/20/1061760320.db2.gz FGEWWJZDDZBOSQ-VAMGGRTRSA-N 1 1 463.648 2.908 20 0 JFADMO CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001294256583 1061761308 /nfs/dbraw/zinc/76/13/08/1061761308.db2.gz RUKSKMNWDJYNMJ-UHFFFAOYSA-N 1 1 456.591 2.524 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001290047376 1061767070 /nfs/dbraw/zinc/76/70/70/1061767070.db2.gz QPYQQBQRPGWYCY-FQEVSTJZSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001290047376 1061767086 /nfs/dbraw/zinc/76/70/86/1061767086.db2.gz QPYQQBQRPGWYCY-FQEVSTJZSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290053094 1061770242 /nfs/dbraw/zinc/77/02/42/1061770242.db2.gz VRAWHPJINPFCRA-GGAORHGYSA-N 1 1 457.619 2.995 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290056263 1061776376 /nfs/dbraw/zinc/77/63/76/1061776376.db2.gz UVQFBMLWULHEHP-SZPZYZBQSA-N 1 1 494.640 2.766 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290056263 1061776398 /nfs/dbraw/zinc/77/63/98/1061776398.db2.gz UVQFBMLWULHEHP-SZPZYZBQSA-N 1 1 494.640 2.766 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001290058066 1061777643 /nfs/dbraw/zinc/77/76/43/1061777643.db2.gz BZSQMNRZZIZXOX-VQTJNVASSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290060459 1061781269 /nfs/dbraw/zinc/78/12/69/1061781269.db2.gz VRKRVFQUORNBML-WOJBJXKFSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2nncn2C)c1 ZINC001290062649 1061784961 /nfs/dbraw/zinc/78/49/61/1061784961.db2.gz CQNIKBXYUWZTBJ-UHFFFAOYSA-N 1 1 452.607 2.899 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290062960 1061786843 /nfs/dbraw/zinc/78/68/43/1061786843.db2.gz RRUBRKZWTVHETQ-PZJWPPBQSA-N 1 1 461.632 2.521 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286977534 1061790946 /nfs/dbraw/zinc/79/09/46/1061790946.db2.gz NKRJXZFWTGGITF-UHFFFAOYSA-N 1 1 454.619 2.751 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294306085 1061793587 /nfs/dbraw/zinc/79/35/87/1061793587.db2.gz BFTWAZVUHXTVQA-OALUTQOASA-N 1 1 470.618 2.929 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294308781 1061797323 /nfs/dbraw/zinc/79/73/23/1061797323.db2.gz VAAOUBVHZSSUSV-QZTJIDSGSA-N 1 1 472.556 2.936 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294309118 1061798385 /nfs/dbraw/zinc/79/83/85/1061798385.db2.gz YHEPGOBXHFDZIV-QGZVFWFLSA-N 1 1 474.572 2.965 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001294309425 1061799316 /nfs/dbraw/zinc/79/93/16/1061799316.db2.gz AQZXBHBMYSXPDQ-FQEVSTJZSA-N 1 1 454.623 2.872 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286978911 1061802524 /nfs/dbraw/zinc/80/25/24/1061802524.db2.gz XCKDBGOYEIGSCB-ZRCGQRJVSA-N 1 1 489.686 2.878 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286978911 1061802542 /nfs/dbraw/zinc/80/25/42/1061802542.db2.gz XCKDBGOYEIGSCB-ZRCGQRJVSA-N 1 1 489.686 2.878 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294312343 1061804069 /nfs/dbraw/zinc/80/40/69/1061804069.db2.gz YXXRYRKLNWLWFF-OAQYLSRUSA-N 1 1 489.690 2.855 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294313212 1061805018 /nfs/dbraw/zinc/80/50/18/1061805018.db2.gz BLDXXNKWNFHHET-GOTSBHOMSA-N 1 1 468.646 2.783 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294315147 1061805847 /nfs/dbraw/zinc/80/58/47/1061805847.db2.gz AEPXSIWMUMSZQO-VAMGGRTRSA-N 1 1 453.653 2.798 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC[N@H+](C)C(C)C)c1 ZINC001290078615 1061808870 /nfs/dbraw/zinc/80/88/70/1061808870.db2.gz WXNFBQOCFYAFEG-JOCHJYFZSA-N 1 1 453.591 2.608 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294316070 1061809605 /nfs/dbraw/zinc/80/96/05/1061809605.db2.gz DIQQVZNGAYEDPY-ICSRJNTNSA-N 1 1 458.582 2.962 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316390 1061810893 /nfs/dbraw/zinc/81/08/93/1061810893.db2.gz OFQSARHIKXHGAI-JOCHJYFZSA-N 1 1 459.660 2.953 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001294317254 1061813044 /nfs/dbraw/zinc/81/30/44/1061813044.db2.gz KLYBFFHPBACXFI-LJQANCHMSA-N 1 1 458.582 2.977 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001294317698 1061814801 /nfs/dbraw/zinc/81/48/01/1061814801.db2.gz XVXCHYUHDWBNGF-MBDNFAEBSA-N 1 1 496.722 2.890 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001294317697 1061815044 /nfs/dbraw/zinc/81/50/44/1061815044.db2.gz XVXCHYUHDWBNGF-KJJMTIBFSA-N 1 1 496.722 2.890 20 0 JFADMO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCCC(C)(C)C1)C2 ZINC001290085641 1061817366 /nfs/dbraw/zinc/81/73/66/1061817366.db2.gz VYTFKSDFHQHAEQ-IBGZPJMESA-N 1 1 474.675 2.881 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294318975 1061820304 /nfs/dbraw/zinc/82/03/04/1061820304.db2.gz XPFUMLFORWFWER-OFVILXPXSA-N 1 1 476.666 2.643 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294318970 1061820512 /nfs/dbraw/zinc/82/05/12/1061820512.db2.gz XPELATLUQKFFJR-VXKWHMMOSA-N 1 1 487.693 2.796 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001290091579 1061823621 /nfs/dbraw/zinc/82/36/21/1061823621.db2.gz CILJBJONXHUKKH-RBUKOAKNSA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOCC1(C)C ZINC001290091579 1061823626 /nfs/dbraw/zinc/82/36/26/1061823626.db2.gz CILJBJONXHUKKH-RBUKOAKNSA-N 1 1 478.663 2.505 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001290096779 1061829076 /nfs/dbraw/zinc/82/90/76/1061829076.db2.gz BCFLGXCRQAKSLJ-QGZVFWFLSA-N 1 1 456.381 2.853 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001286983013 1061831517 /nfs/dbraw/zinc/83/15/17/1061831517.db2.gz VBDSWOWOQQOBIZ-HLIPFELVSA-N 1 1 484.066 2.703 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001286983182 1061833327 /nfs/dbraw/zinc/83/33/27/1061833327.db2.gz RJGQPFGFZSDGJA-QYZOEREBSA-N 1 1 488.658 2.531 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001294326218 1061837132 /nfs/dbraw/zinc/83/71/32/1061837132.db2.gz PWBIPSFQRAMRCP-PCCBWWKXSA-N 1 1 468.650 2.988 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294327198 1061841331 /nfs/dbraw/zinc/84/13/31/1061841331.db2.gz UOILHJCBHFAYFO-IRLDBZIGSA-N 1 1 483.661 2.972 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294327198 1061841350 /nfs/dbraw/zinc/84/13/50/1061841350.db2.gz UOILHJCBHFAYFO-IRLDBZIGSA-N 1 1 483.661 2.972 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286984249 1061842741 /nfs/dbraw/zinc/84/27/41/1061842741.db2.gz XPTRWPTYELQAGZ-XWSJACJDSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001286984249 1061842759 /nfs/dbraw/zinc/84/27/59/1061842759.db2.gz XPTRWPTYELQAGZ-XWSJACJDSA-N 1 1 455.669 2.898 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001294327555 1061843804 /nfs/dbraw/zinc/84/38/04/1061843804.db2.gz ARLAQONVDAZVML-MYDTUXCISA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001294328445 1061845393 /nfs/dbraw/zinc/84/53/93/1061845393.db2.gz DBFUOKZRJCUIJG-KJJMTIBFSA-N 1 1 487.693 2.871 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294328837 1061847721 /nfs/dbraw/zinc/84/77/21/1061847721.db2.gz IBUZHNCAOSDKIA-BHDDXSALSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294328837 1061847740 /nfs/dbraw/zinc/84/77/40/1061847740.db2.gz IBUZHNCAOSDKIA-BHDDXSALSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001294330858 1061851008 /nfs/dbraw/zinc/85/10/08/1061851008.db2.gz BKUMZECXEAFBBG-YPAWHYETSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001290125019 1061855230 /nfs/dbraw/zinc/85/52/30/1061855230.db2.gz KFMHISWBJAWRHT-UXHICEINSA-N 1 1 460.648 2.503 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294331666 1061855615 /nfs/dbraw/zinc/85/56/15/1061855615.db2.gz HDUXAQRZWHAZTC-CIXCFARBSA-N 1 1 482.673 2.651 20 0 JFADMO CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001286985739 1061856676 /nfs/dbraw/zinc/85/66/76/1061856676.db2.gz BFDUMQOQFQBLPW-IBGZPJMESA-N 1 1 458.582 2.833 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCCn2cc[nH+]c2C)C1 ZINC001294332143 1061858122 /nfs/dbraw/zinc/85/81/22/1061858122.db2.gz XSKBHAXATQNWAW-CEWLAPEOSA-N 1 1 457.623 2.898 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294332634 1061859002 /nfs/dbraw/zinc/85/90/02/1061859002.db2.gz JHRTYRGYGVUWEZ-GMAHTHKFSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294332634 1061859023 /nfs/dbraw/zinc/85/90/23/1061859023.db2.gz JHRTYRGYGVUWEZ-GMAHTHKFSA-N 1 1 497.688 2.896 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001294332802 1061861390 /nfs/dbraw/zinc/86/13/90/1061861390.db2.gz SXGNQTYZNRMBDC-FQEVSTJZSA-N 1 1 458.603 2.979 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290129974 1061863526 /nfs/dbraw/zinc/86/35/26/1061863526.db2.gz XZDOSRGDHSZJQZ-OAQYLSRUSA-N 1 1 468.646 2.795 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133982 1061869152 /nfs/dbraw/zinc/86/91/52/1061869152.db2.gz YKBPWRQDRIOFJH-QFIPXVFZSA-N 1 1 470.662 2.646 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001290133830 1061869383 /nfs/dbraw/zinc/86/93/83/1061869383.db2.gz XGOSAKFFLHCPAV-GOSISDBHSA-N 1 1 452.525 2.659 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001290133830 1061869404 /nfs/dbraw/zinc/86/94/04/1061869404.db2.gz XGOSAKFFLHCPAV-GOSISDBHSA-N 1 1 452.525 2.659 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001294335848 1061872812 /nfs/dbraw/zinc/87/28/12/1061872812.db2.gz RODVWAJABGLGMV-YADHBBJMSA-N 1 1 487.693 2.911 20 0 JFADMO Cc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290140401 1061873828 /nfs/dbraw/zinc/87/38/28/1061873828.db2.gz GXLDKWGDQYZFFD-VCOUNFBDSA-N 1 1 490.674 2.507 20 0 JFADMO Cc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290140399 1061874020 /nfs/dbraw/zinc/87/40/20/1061874020.db2.gz GXLDKWGDQYZFFD-DWLFOUALSA-N 1 1 490.674 2.507 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001294338569 1061880058 /nfs/dbraw/zinc/88/00/58/1061880058.db2.gz VMPYOMODOVGUEH-OAQYLSRUSA-N 1 1 461.699 2.736 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCn2cc[nH+]c2C)C1 ZINC001294339253 1061883585 /nfs/dbraw/zinc/88/35/85/1061883585.db2.gz ZURATBMNGMLSBA-UGKGYDQZSA-N 1 1 481.649 2.866 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001294341785 1061890682 /nfs/dbraw/zinc/89/06/82/1061890682.db2.gz KGIKNHDUVWGJNZ-LJQANCHMSA-N 1 1 454.623 2.742 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001290152242 1061894302 /nfs/dbraw/zinc/89/43/02/1061894302.db2.gz GPCHZYZABWZCEA-VWLOTQADSA-N 1 1 457.619 2.530 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(C)COCCO1 ZINC001290152242 1061894318 /nfs/dbraw/zinc/89/43/18/1061894318.db2.gz GPCHZYZABWZCEA-VWLOTQADSA-N 1 1 457.619 2.530 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001290159535 1061901665 /nfs/dbraw/zinc/90/16/65/1061901665.db2.gz SXDGMRHNHAAIIB-XMMPIXPASA-N 1 1 482.673 2.719 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001294349149 1061913354 /nfs/dbraw/zinc/91/33/54/1061913354.db2.gz NBTMUBAQSYBLSJ-VXKWHMMOSA-N 1 1 453.635 2.738 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001294349121 1061913399 /nfs/dbraw/zinc/91/33/99/1061913399.db2.gz LWWVJZWYMNRZRL-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001294349329 1061913991 /nfs/dbraw/zinc/91/39/91/1061913991.db2.gz ORDALJSZMLAWNV-UHFFFAOYSA-N 1 1 461.699 2.734 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294349329 1061914009 /nfs/dbraw/zinc/91/40/09/1061914009.db2.gz ORDALJSZMLAWNV-UHFFFAOYSA-N 1 1 461.699 2.734 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001294349329 1061914032 /nfs/dbraw/zinc/91/40/32/1061914032.db2.gz ORDALJSZMLAWNV-UHFFFAOYSA-N 1 1 461.699 2.734 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001290171529 1061915663 /nfs/dbraw/zinc/91/56/63/1061915663.db2.gz XPTJCQYAHYZQDF-NRFANRHFSA-N 1 1 459.660 2.923 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290175357 1061922781 /nfs/dbraw/zinc/92/27/81/1061922781.db2.gz YRMZCSWEIPFBEH-HSZRJFAPSA-N 1 1 495.716 2.896 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290175357 1061922796 /nfs/dbraw/zinc/92/27/96/1061922796.db2.gz YRMZCSWEIPFBEH-HSZRJFAPSA-N 1 1 495.716 2.896 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290175357 1061922815 /nfs/dbraw/zinc/92/28/15/1061922815.db2.gz YRMZCSWEIPFBEH-HSZRJFAPSA-N 1 1 495.716 2.896 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001287006587 1061927158 /nfs/dbraw/zinc/92/71/58/1061927158.db2.gz HGKHKMRTKWNNTF-AREMUKBSSA-N 1 1 486.636 2.757 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001287006587 1061927179 /nfs/dbraw/zinc/92/71/79/1061927179.db2.gz HGKHKMRTKWNNTF-AREMUKBSSA-N 1 1 486.636 2.757 20 0 JFADMO CC(C)(C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287008656 1061935039 /nfs/dbraw/zinc/93/50/39/1061935039.db2.gz CBMZSSJCNSISHN-UHFFFAOYSA-N 1 1 494.610 2.867 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CSCCS1 ZINC001287009463 1061938100 /nfs/dbraw/zinc/93/81/00/1061938100.db2.gz UHOPGTIFJGGLGU-TZIWHRDSSA-N 1 1 491.727 2.986 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001290199676 1061941974 /nfs/dbraw/zinc/94/19/74/1061941974.db2.gz LVXUMPICDKBSIZ-SFTDATJTSA-N 1 1 484.645 2.882 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294373847 1061946602 /nfs/dbraw/zinc/94/66/02/1061946602.db2.gz IOBNUNSQFLNHBP-FQEVSTJZSA-N 1 1 491.658 2.852 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290204726 1061948170 /nfs/dbraw/zinc/94/81/70/1061948170.db2.gz NNGHMNFQJCLDFP-YADHBBJMSA-N 1 1 468.646 2.995 20 0 JFADMO CCCCOCCCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294390138 1061960421 /nfs/dbraw/zinc/96/04/21/1061960421.db2.gz PVQLWILRNMITLN-WWNPGLIZSA-N 1 1 476.666 2.715 20 0 JFADMO CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294402451 1061970117 /nfs/dbraw/zinc/97/01/17/1061970117.db2.gz TZXOVOAECKHNPU-OAQYLSRUSA-N 1 1 470.618 2.513 20 0 JFADMO CCCCOCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001294403128 1061971196 /nfs/dbraw/zinc/97/11/96/1061971196.db2.gz QQZHFRUBLXHMKV-UHFFFAOYSA-N 1 1 452.607 2.829 20 0 JFADMO CCCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294404231 1061972669 /nfs/dbraw/zinc/97/26/69/1061972669.db2.gz TXMLDTUVCBBEAR-SFTDATJTSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294404231 1061972695 /nfs/dbraw/zinc/97/26/95/1061972695.db2.gz TXMLDTUVCBBEAR-SFTDATJTSA-N 1 1 492.665 2.730 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001287029065 1061977235 /nfs/dbraw/zinc/97/72/35/1061977235.db2.gz MWTIHBYDMYQPDS-QUCCMNQESA-N 1 1 466.696 2.649 20 0 JFADMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccnc(Cl)c2I)C[C@H](C)O1 ZINC001294415256 1061982197 /nfs/dbraw/zinc/98/21/97/1061982197.db2.gz YEVWUTZFGITBHD-TXEJJXNPSA-N 1 1 451.736 2.959 20 0 JFADMO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001290243318 1061984318 /nfs/dbraw/zinc/98/43/18/1061984318.db2.gz DNMDUYRKNPJJBC-XMMPIXPASA-N 1 1 460.623 2.616 20 0 JFADMO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001294441606 1061992211 /nfs/dbraw/zinc/99/22/11/1061992211.db2.gz LUJALJBOVDAXSW-GOSISDBHSA-N 1 1 466.627 2.544 20 0 JFADMO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001294441606 1061992241 /nfs/dbraw/zinc/99/22/41/1061992241.db2.gz LUJALJBOVDAXSW-GOSISDBHSA-N 1 1 466.627 2.544 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287034339 1061995869 /nfs/dbraw/zinc/99/58/69/1061995869.db2.gz KHAISIKRYCZOOS-UHFFFAOYSA-N 1 1 497.688 2.738 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCC(C)(C)O ZINC001287034497 1061996784 /nfs/dbraw/zinc/99/67/84/1061996784.db2.gz OSQGGBWBDFOBME-HXUWFJFHSA-N 1 1 459.635 2.590 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCO1 ZINC001287034561 1061997333 /nfs/dbraw/zinc/99/73/33/1061997333.db2.gz PLGYNBBLPQEDQC-GGAORHGYSA-N 1 1 471.646 2.998 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCCC2(C)C)C1 ZINC001294453586 1061997733 /nfs/dbraw/zinc/99/77/33/1061997733.db2.gz BEGDJIYXMIKDPL-RBUKOAKNSA-N 1 1 455.607 2.909 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001294453585 1061997956 /nfs/dbraw/zinc/99/79/56/1061997956.db2.gz BEGDJIYXMIKDPL-OALUTQOASA-N 1 1 455.607 2.909 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 ZINC001294453926 1061998942 /nfs/dbraw/zinc/99/89/42/1061998942.db2.gz JXGOSZXVFAYNMR-TZIWHRDSSA-N 1 1 467.618 2.594 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 ZINC001294454122 1062000062 /nfs/dbraw/zinc/00/00/62/1062000062.db2.gz OBYXPCZTTARYNQ-SFHVURJKSA-N 1 1 488.040 2.523 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454420 1062000211 /nfs/dbraw/zinc/00/02/11/1062000211.db2.gz QYAGGQPYYQKONA-UXHICEINSA-N 1 1 491.681 2.986 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCCN1CCOC1=O ZINC001287035097 1062000602 /nfs/dbraw/zinc/00/06/02/1062000602.db2.gz IADSLFZDSBQFMN-UHFFFAOYSA-N 1 1 470.618 2.910 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455083 1062001335 /nfs/dbraw/zinc/00/13/35/1062001335.db2.gz CDCYYZHIVMTZFS-OZXSUGGESA-N 1 1 490.693 2.745 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287035863 1062001572 /nfs/dbraw/zinc/00/15/72/1062001572.db2.gz BOTZPKVNOFNHHQ-SFHVURJKSA-N 1 1 450.628 2.692 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287035863 1062001591 /nfs/dbraw/zinc/00/15/91/1062001591.db2.gz BOTZPKVNOFNHHQ-SFHVURJKSA-N 1 1 450.628 2.692 20 0 JFADMO CN1CC[NH+](CCCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 ZINC001290271930 1062001796 /nfs/dbraw/zinc/00/17/96/1062001796.db2.gz WGNVVZHXTGBPPG-UHFFFAOYSA-N 1 1 451.637 2.625 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001287036228 1062002043 /nfs/dbraw/zinc/00/20/43/1062002043.db2.gz UQNUGSYHGHIATJ-QFIPXVFZSA-N 1 1 489.686 2.761 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCOCC2)C1 ZINC001294455429 1062002494 /nfs/dbraw/zinc/00/24/94/1062002494.db2.gz DMTMHIGIIQURCM-ZWKOTPCHSA-N 1 1 494.482 2.925 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCOCC2)C1 ZINC001294455425 1062002741 /nfs/dbraw/zinc/00/27/41/1062002741.db2.gz DMTMHIGIIQURCM-MSOLQXFVSA-N 1 1 494.482 2.925 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001287037790 1062004114 /nfs/dbraw/zinc/00/41/14/1062004114.db2.gz SOHPTLKIJSJPPM-AVRDEDQJSA-N 1 1 467.536 2.838 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001287037790 1062004125 /nfs/dbraw/zinc/00/41/25/1062004125.db2.gz SOHPTLKIJSJPPM-AVRDEDQJSA-N 1 1 467.536 2.838 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456827 1062004780 /nfs/dbraw/zinc/00/47/80/1062004780.db2.gz KBFFDQCACRUCRV-QZTJIDSGSA-N 1 1 466.627 2.552 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001294459001 1062006087 /nfs/dbraw/zinc/00/60/87/1062006087.db2.gz RSEYPEOOZCIOOW-MRXNPFEDSA-N 1 1 476.427 2.886 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459627 1062006339 /nfs/dbraw/zinc/00/63/39/1062006339.db2.gz VEKDZZJMYPAXAN-ROUUACIJSA-N 1 1 456.570 2.902 20 0 JFADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001290278362 1062006987 /nfs/dbraw/zinc/00/69/87/1062006987.db2.gz HMRUZIBQDFRVRR-GOSISDBHSA-N 1 1 456.620 2.566 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294460033 1062007909 /nfs/dbraw/zinc/00/79/09/1062007909.db2.gz AKWGKRHWBJKYKU-RTBURBONSA-N 1 1 491.658 2.565 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001287041592 1062009814 /nfs/dbraw/zinc/00/98/14/1062009814.db2.gz NJSHLDNYYJJSCO-JPYJTQIMSA-N 1 1 495.715 2.708 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 ZINC001294461179 1062010577 /nfs/dbraw/zinc/01/05/77/1062010577.db2.gz SZKKWXWQDNVHJQ-QGZVFWFLSA-N 1 1 456.591 2.614 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042116 1062011167 /nfs/dbraw/zinc/01/11/67/1062011167.db2.gz ZSXOCXALTPUEMR-NRFANRHFSA-N 1 1 474.675 2.647 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001287042212 1062011859 /nfs/dbraw/zinc/01/18/59/1062011859.db2.gz DPAXSAGNBZRXDW-UHFFFAOYSA-N 1 1 496.077 2.849 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H](c3ccccc3)N3CCSCC3)c2)CC1 ZINC001294462699 1062012156 /nfs/dbraw/zinc/01/21/56/1062012156.db2.gz JMKYJBTZDOJPAZ-XMMPIXPASA-N 1 1 452.624 2.732 20 0 JFADMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001294463037 1062013406 /nfs/dbraw/zinc/01/34/06/1062013406.db2.gz NSGFSICFUWTCME-JTHBVZDNSA-N 1 1 455.651 2.865 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)C1 ZINC001294463037 1062013429 /nfs/dbraw/zinc/01/34/29/1062013429.db2.gz NSGFSICFUWTCME-JTHBVZDNSA-N 1 1 455.651 2.865 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294463066 1062013578 /nfs/dbraw/zinc/01/35/78/1062013578.db2.gz OIBDHQFLWYFDTB-RBUKOAKNSA-N 1 1 461.632 2.557 20 0 JFADMO Cc1cnn(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC001290286228 1062014410 /nfs/dbraw/zinc/01/44/10/1062014410.db2.gz FOMWRDOMSSMMBT-QFIPXVFZSA-N 1 1 481.645 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 ZINC001294467215 1062015455 /nfs/dbraw/zinc/01/54/55/1062015455.db2.gz FFUNKNVSSIPRPL-BVSLBCMMSA-N 1 1 475.659 2.736 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)C1 ZINC001294467850 1062017458 /nfs/dbraw/zinc/01/74/58/1062017458.db2.gz JYROISXTIKJCDN-UEXGIBASSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468078 1062017641 /nfs/dbraw/zinc/01/76/41/1062017641.db2.gz KILTVIMFZGCXNQ-VXKWHMMOSA-N 1 1 454.619 2.609 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)C1 ZINC001294467855 1062017792 /nfs/dbraw/zinc/01/77/92/1062017792.db2.gz JYROISXTIKJCDN-WFXMLNOXSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294468338 1062018918 /nfs/dbraw/zinc/01/89/18/1062018918.db2.gz MRUDVQCKBQDRKD-QFBILLFUSA-N 1 1 496.534 2.637 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287044503 1062019545 /nfs/dbraw/zinc/01/95/45/1062019545.db2.gz DLQDVSUMPCDKEN-YADHBBJMSA-N 1 1 484.645 2.680 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001294469191 1062021364 /nfs/dbraw/zinc/02/13/64/1062021364.db2.gz VPCUEJJSBXTASC-OKZBNKHCSA-N 1 1 459.607 2.784 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccco2)CC1 ZINC001287045096 1062022173 /nfs/dbraw/zinc/02/21/73/1062022173.db2.gz IVKMRRCUMZRVGA-UHFFFAOYSA-N 1 1 451.575 2.598 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)C1 ZINC001294470442 1062024040 /nfs/dbraw/zinc/02/40/40/1062024040.db2.gz LTTDGCWKLJBIIA-FGZHOGPDSA-N 1 1 475.659 2.891 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001287045549 1062024133 /nfs/dbraw/zinc/02/41/33/1062024133.db2.gz LBXNLSNFNVVITF-UHFFFAOYSA-N 1 1 483.567 3.000 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294474217 1062026655 /nfs/dbraw/zinc/02/66/55/1062026655.db2.gz OWNISYNORUFFOR-NRFANRHFSA-N 1 1 455.651 2.543 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCOC2)CC1 ZINC001287046134 1062026867 /nfs/dbraw/zinc/02/68/67/1062026867.db2.gz OZCAFZDRDKWLEK-UHFFFAOYSA-N 1 1 458.632 2.927 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287046179 1062027089 /nfs/dbraw/zinc/02/70/89/1062027089.db2.gz QOQHGZJOJDBPLI-HXUWFJFHSA-N 1 1 492.665 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@H]2OC)C1 ZINC001294475966 1062028489 /nfs/dbraw/zinc/02/84/89/1062028489.db2.gz YATWBZCJTJHVCH-QKNQBKEWSA-N 1 1 462.664 2.853 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)C1 ZINC001294475968 1062028571 /nfs/dbraw/zinc/02/85/71/1062028571.db2.gz YATWBZCJTJHVCH-ZVDOUQERSA-N 1 1 462.664 2.853 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001287046848 1062030319 /nfs/dbraw/zinc/03/03/19/1062030319.db2.gz WLQSGKXBVZKOIQ-UHFFFAOYSA-N 1 1 494.566 2.763 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001287046839 1062030418 /nfs/dbraw/zinc/03/04/18/1062030418.db2.gz WHZZLOABWHUXTP-UHFFFAOYSA-N 1 1 495.653 2.727 20 0 JFADMO CCCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294489012 1062032626 /nfs/dbraw/zinc/03/26/26/1062032626.db2.gz MDROZECPVATOBP-UHFFFAOYSA-N 1 1 450.591 2.531 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287047858 1062034811 /nfs/dbraw/zinc/03/48/11/1062034811.db2.gz OJXAMICIKOTHGC-RUZDIDTESA-N 1 1 488.608 2.602 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001294497650 1062035756 /nfs/dbraw/zinc/03/57/56/1062035756.db2.gz NDJZSRILFSBIOO-SIKLNZKXSA-N 1 1 475.659 2.686 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001294497650 1062035776 /nfs/dbraw/zinc/03/57/76/1062035776.db2.gz NDJZSRILFSBIOO-SIKLNZKXSA-N 1 1 475.659 2.686 20 0 JFADMO CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001294497651 1062035875 /nfs/dbraw/zinc/03/58/75/1062035875.db2.gz NDJZSRILFSBIOO-UGKGYDQZSA-N 1 1 475.659 2.686 20 0 JFADMO CCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001294497651 1062035898 /nfs/dbraw/zinc/03/58/98/1062035898.db2.gz NDJZSRILFSBIOO-UGKGYDQZSA-N 1 1 475.659 2.686 20 0 JFADMO CC(C)(C)NC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001287048275 1062036817 /nfs/dbraw/zinc/03/68/17/1062036817.db2.gz SXEDVJVNGUGWGW-QFIPXVFZSA-N 1 1 489.709 2.878 20 0 JFADMO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC001290317207 1062040517 /nfs/dbraw/zinc/04/05/17/1062040517.db2.gz DDGHVWHIQKVVFY-UXHICEINSA-N 1 1 489.690 2.922 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001294505484 1062041502 /nfs/dbraw/zinc/04/15/02/1062041502.db2.gz KEGORWVOHUMUDC-RUZDIDTESA-N 1 1 454.619 2.998 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294506129 1062042987 /nfs/dbraw/zinc/04/29/87/1062042987.db2.gz QFVSHYDLIRQHGO-UHFFFAOYSA-N 1 1 461.655 2.520 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001294506445 1062044336 /nfs/dbraw/zinc/04/43/36/1062044336.db2.gz TUDJGLYOHSMGRE-MRXNPFEDSA-N 1 1 469.055 2.836 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294506468 1062044400 /nfs/dbraw/zinc/04/44/00/1062044400.db2.gz UORCQLVUIRFVJJ-UHFFFAOYSA-N 1 1 473.666 2.617 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294506497 1062044615 /nfs/dbraw/zinc/04/46/15/1062044615.db2.gz KKRWGOZXBCTSOI-HSZRJFAPSA-N 1 1 461.632 2.701 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294513686 1062048324 /nfs/dbraw/zinc/04/83/24/1062048324.db2.gz HZTWCLQRRBAQAZ-UHFFFAOYSA-N 1 1 471.635 2.722 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294513526 1062048378 /nfs/dbraw/zinc/04/83/78/1062048378.db2.gz HFCHLZQNNUKGAV-UHFFFAOYSA-N 1 1 466.627 2.676 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294514256 1062049404 /nfs/dbraw/zinc/04/94/04/1062049404.db2.gz PQVNTXUDRVMASX-HSZRJFAPSA-N 1 1 461.632 2.701 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001294514789 1062050242 /nfs/dbraw/zinc/05/02/42/1062050242.db2.gz CFNQJPXYBGDDFZ-FQEVSTJZSA-N 1 1 468.650 2.942 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001294515142 1062051170 /nfs/dbraw/zinc/05/11/70/1062051170.db2.gz DMIPBWFONURZFJ-HXUWFJFHSA-N 1 1 454.627 2.535 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1 ZINC001294516019 1062053006 /nfs/dbraw/zinc/05/30/06/1062053006.db2.gz MDDQVTSVORZHSQ-QGZVFWFLSA-N 1 1 455.632 2.866 20 0 JFADMO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290335782 1062054884 /nfs/dbraw/zinc/05/48/84/1062054884.db2.gz BVLDIUNAYARIFY-FUHWJXTLSA-N 1 1 451.662 2.918 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294519365 1062055721 /nfs/dbraw/zinc/05/57/21/1062055721.db2.gz DCWMLUZJRRIMEP-WOJBJXKFSA-N 1 1 492.665 2.766 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001294521460 1062057113 /nfs/dbraw/zinc/05/71/13/1062057113.db2.gz NKAUQRXBBLBKNW-MOPGFXCFSA-N 1 1 461.611 2.988 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001294522361 1062057951 /nfs/dbraw/zinc/05/79/51/1062057951.db2.gz SUUBNGQMONYNCJ-LJQANCHMSA-N 1 1 462.668 2.781 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294523036 1062059050 /nfs/dbraw/zinc/05/90/50/1062059050.db2.gz QDMQOWKMUGBWFF-IBGZPJMESA-N 1 1 454.040 2.878 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCS(=O)CC1 ZINC001294523093 1062059432 /nfs/dbraw/zinc/05/94/32/1062059432.db2.gz WPBUMCAOOWRUBH-IBGZPJMESA-N 1 1 482.695 2.693 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294527523 1062063712 /nfs/dbraw/zinc/06/37/12/1062063712.db2.gz OHDOQAAIFFROPM-DEOSSOPVSA-N 1 1 456.591 2.928 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001294528740 1062065036 /nfs/dbraw/zinc/06/50/36/1062065036.db2.gz FRZVCEGVRPVUFJ-PWRODBHTSA-N 1 1 475.682 2.969 20 0 JFADMO Cc1csc(Cn2c(N3CC[NH+](CCOC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001290354865 1062066459 /nfs/dbraw/zinc/06/64/59/1062066459.db2.gz VBOASPDDBNDWSQ-HSZRJFAPSA-N 1 1 478.663 2.679 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001290355255 1062067445 /nfs/dbraw/zinc/06/74/45/1062067445.db2.gz YYQRYOIQODIYIO-PKOBYXMFSA-N 1 1 474.679 2.628 20 0 JFADMO Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC001290361788 1062070760 /nfs/dbraw/zinc/07/07/60/1062070760.db2.gz ORIQBYGIEJYEFK-OAQYLSRUSA-N 1 1 497.669 2.588 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001294548465 1062074211 /nfs/dbraw/zinc/07/42/11/1062074211.db2.gz OXZDVRJPLOOYOZ-PZJWPPBQSA-N 1 1 496.722 2.748 20 0 JFADMO Cc1nc(-c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCC[N@H+](C(C)(C)C)CC3)cc2)n[nH]1 ZINC001290378241 1062080489 /nfs/dbraw/zinc/08/04/89/1062080489.db2.gz NTDWEMFIALIXJS-UHFFFAOYSA-N 1 1 479.633 2.869 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC001290393254 1062096050 /nfs/dbraw/zinc/09/60/50/1062096050.db2.gz ZGDJEYPWZLHSNH-JOCHJYFZSA-N 1 1 478.569 2.938 20 0 JFADMO CCCN(CCn1c(C2CCC2)nnc1N1CC[NH+](CCOC)CC1)C(=O)OC(C)(C)C ZINC001294586096 1062098186 /nfs/dbraw/zinc/09/81/86/1062098186.db2.gz UGYLILMAHVZSOR-UHFFFAOYSA-N 1 1 450.628 2.961 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001290398575 1062099356 /nfs/dbraw/zinc/09/93/56/1062099356.db2.gz NVYMAWYOJZKZIB-GOSISDBHSA-N 1 1 462.664 2.998 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ncccc2N(C)C)cs1 ZINC001290401381 1062105237 /nfs/dbraw/zinc/10/52/37/1062105237.db2.gz ORZGDPCOCAABCJ-UHFFFAOYSA-N 1 1 484.674 2.690 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ncccc2N(C)C)cs1 ZINC001290401381 1062105243 /nfs/dbraw/zinc/10/52/43/1062105243.db2.gz ORZGDPCOCAABCJ-UHFFFAOYSA-N 1 1 484.674 2.690 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287062982 1062110853 /nfs/dbraw/zinc/11/08/53/1062110853.db2.gz GGWFUMWSZBHJGV-LEWJYISDSA-N 1 1 476.666 2.819 20 0 JFADMO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294603273 1062113225 /nfs/dbraw/zinc/11/32/25/1062113225.db2.gz VYWVIICBUOTKPT-GCJKJVERSA-N 1 1 470.618 2.751 20 0 JFADMO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294603274 1062113274 /nfs/dbraw/zinc/11/32/74/1062113274.db2.gz VYWVIICBUOTKPT-PGRDOPGGSA-N 1 1 470.618 2.751 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001290410189 1062125314 /nfs/dbraw/zinc/12/53/14/1062125314.db2.gz ADSZFLLUENFHPF-MRXNPFEDSA-N 1 1 459.664 2.846 20 0 JFADMO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001294617081 1062126414 /nfs/dbraw/zinc/12/64/14/1062126414.db2.gz NIPDQWFIQAPKKK-WOJBJXKFSA-N 1 1 480.654 2.934 20 0 JFADMO CCCn1c(COc2ccccc2CC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001294623854 1062131474 /nfs/dbraw/zinc/13/14/74/1062131474.db2.gz FCJSTQGXWCVSGE-UHFFFAOYSA-N 1 1 454.619 2.964 20 0 JFADMO CCCn1c(COc2ccccc2CC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001294623854 1062131486 /nfs/dbraw/zinc/13/14/86/1062131486.db2.gz FCJSTQGXWCVSGE-UHFFFAOYSA-N 1 1 454.619 2.964 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001287065562 1062138409 /nfs/dbraw/zinc/13/84/09/1062138409.db2.gz DTJNEGSIXUCVBR-HXUWFJFHSA-N 1 1 460.623 2.928 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC001294631967 1062138979 /nfs/dbraw/zinc/13/89/79/1062138979.db2.gz CXFWNBXQHUZUNH-NRFANRHFSA-N 1 1 473.666 2.520 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001290417463 1062145469 /nfs/dbraw/zinc/14/54/69/1062145469.db2.gz KPIAXOTWBICNJN-QGZVFWFLSA-N 1 1 459.664 2.990 20 0 JFADMO CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294635914 1062147537 /nfs/dbraw/zinc/14/75/37/1062147537.db2.gz GYWJVUFWWUPTNV-BGYRXZFFSA-N 1 1 472.638 2.905 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294637459 1062150363 /nfs/dbraw/zinc/15/03/63/1062150363.db2.gz ILPTWXFMMQHCOV-INIZCTEOSA-N 1 1 471.997 2.681 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290418795 1062152959 /nfs/dbraw/zinc/15/29/59/1062152959.db2.gz ZLPBKTGPXBRLDE-UHFFFAOYSA-N 1 1 487.596 2.869 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@H]2CC)C1 ZINC001294639841 1062156456 /nfs/dbraw/zinc/15/64/56/1062156456.db2.gz XUWXAGXZOZGVKN-CEXWTWQISA-N 1 1 452.669 2.779 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287067119 1062157096 /nfs/dbraw/zinc/15/70/96/1062157096.db2.gz WHDAWTVIVZADPY-LJQANCHMSA-N 1 1 473.622 2.737 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294640511 1062157538 /nfs/dbraw/zinc/15/75/38/1062157538.db2.gz AXYSZPWSLHCNCC-GBESFXJTSA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294640987 1062158635 /nfs/dbraw/zinc/15/86/35/1062158635.db2.gz HZEIMJZEGYUAHZ-GREBRCKQSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294640992 1062159847 /nfs/dbraw/zinc/15/98/47/1062159847.db2.gz HZEIMJZEGYUAHZ-RFWXGWTQSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccccc2)C1 ZINC001294641013 1062159888 /nfs/dbraw/zinc/15/98/88/1062159888.db2.gz IGASPIJLZFZXOT-IRFCIJBXSA-N 1 1 460.648 2.962 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001290423146 1062164727 /nfs/dbraw/zinc/16/47/27/1062164727.db2.gz GUJZGIXJVVMUBO-PKOBYXMFSA-N 1 1 459.664 2.990 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287068903 1062176306 /nfs/dbraw/zinc/17/63/06/1062176306.db2.gz RKUICWQQDPGWMU-SFHVURJKSA-N 1 1 462.982 2.644 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287068903 1062176318 /nfs/dbraw/zinc/17/63/18/1062176318.db2.gz RKUICWQQDPGWMU-SFHVURJKSA-N 1 1 462.982 2.644 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCCN(CC(=O)N(CC)CC)CC2)C1 ZINC001294646497 1062176543 /nfs/dbraw/zinc/17/65/43/1062176543.db2.gz LFQMJKMUJWWQMV-QFIPXVFZSA-N 1 1 485.677 2.959 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646624 1062177448 /nfs/dbraw/zinc/17/74/48/1062177448.db2.gz XEYNMDUIXBPYLP-FPOVZHCZSA-N 1 1 458.603 2.759 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)cc(OC)c1 ZINC001294646624 1062177456 /nfs/dbraw/zinc/17/74/56/1062177456.db2.gz XEYNMDUIXBPYLP-FPOVZHCZSA-N 1 1 458.603 2.759 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)cs1 ZINC001290428899 1062182685 /nfs/dbraw/zinc/18/26/85/1062182685.db2.gz SRIRPEDNYIABBP-UHFFFAOYSA-N 1 1 473.569 2.623 20 0 JFADMO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290429248 1062183529 /nfs/dbraw/zinc/18/35/29/1062183529.db2.gz ZPCBYPMQXSASOS-GOSISDBHSA-N 1 1 459.664 2.813 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294647861 1062184750 /nfs/dbraw/zinc/18/47/50/1062184750.db2.gz GWEUOBWSKOPLIC-CQSZACIVSA-N 1 1 488.477 2.736 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287070001 1062188178 /nfs/dbraw/zinc/18/81/78/1062188178.db2.gz CKPDRUODNRKFIA-LEWJYISDSA-N 1 1 486.617 2.510 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001294648914 1062190222 /nfs/dbraw/zinc/19/02/22/1062190222.db2.gz XMCVWBITFZUEJX-WOJBJXKFSA-N 1 1 492.665 2.924 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001294649458 1062191000 /nfs/dbraw/zinc/19/10/00/1062191000.db2.gz BJFQDFZBVGPAMQ-GOSISDBHSA-N 1 1 456.595 2.524 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(C(=O)N(CC)CC)CC2)C1 ZINC001294649602 1062192125 /nfs/dbraw/zinc/19/21/25/1062192125.db2.gz DLNXWFAWSVBBNI-HXUWFJFHSA-N 1 1 456.639 2.599 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001294649979 1062194633 /nfs/dbraw/zinc/19/46/33/1062194633.db2.gz GNIXVZAKOXOXFP-HNNXBMFYSA-N 1 1 453.513 2.758 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001294651512 1062196920 /nfs/dbraw/zinc/19/69/20/1062196920.db2.gz ZMISOVCDIBYOGT-KRWDZBQOSA-N 1 1 461.010 2.801 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001294652198 1062197969 /nfs/dbraw/zinc/19/79/69/1062197969.db2.gz XRFWXAOEUINRPU-INIZCTEOSA-N 1 1 467.540 2.900 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294657772 1062202732 /nfs/dbraw/zinc/20/27/32/1062202732.db2.gz LNZVYRRVMAVNEG-VNTMZGSJSA-N 1 1 462.639 2.863 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659053 1062206798 /nfs/dbraw/zinc/20/67/98/1062206798.db2.gz UKHNZRACJNKLQY-IRXDYDNUSA-N 1 1 452.554 2.745 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287072946 1062209722 /nfs/dbraw/zinc/20/97/22/1062209722.db2.gz DXDOXNUCLUSWNO-SFHVURJKSA-N 1 1 471.606 2.554 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287072946 1062209744 /nfs/dbraw/zinc/20/97/44/1062209744.db2.gz DXDOXNUCLUSWNO-SFHVURJKSA-N 1 1 471.606 2.554 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290440790 1062210267 /nfs/dbraw/zinc/21/02/67/1062210267.db2.gz XGKNKOMFHZSCQJ-LPHOPBHVSA-N 1 1 450.678 2.932 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294661106 1062211464 /nfs/dbraw/zinc/21/14/64/1062211464.db2.gz ITECOJSIUZCDKR-NHCUHLMSSA-N 1 1 492.665 2.506 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001294661926 1062213544 /nfs/dbraw/zinc/21/35/44/1062213544.db2.gz CNNURWAIYXRRHD-PKTZIBPZSA-N 1 1 467.662 2.984 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294665622 1062217888 /nfs/dbraw/zinc/21/78/88/1062217888.db2.gz ZRQKUGIBCZPTIO-ICSRJNTNSA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294665624 1062218014 /nfs/dbraw/zinc/21/80/14/1062218014.db2.gz ZRQKUGIBCZPTIO-UYAOXDASSA-N 1 1 480.704 2.769 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224529 /nfs/dbraw/zinc/22/45/29/1062224529.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224551 /nfs/dbraw/zinc/22/45/51/1062224551.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001294670230 1062227487 /nfs/dbraw/zinc/22/74/87/1062227487.db2.gz QIOKQKZNFCFCNZ-IBGZPJMESA-N 1 1 492.665 2.958 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294670699 1062228818 /nfs/dbraw/zinc/22/88/18/1062228818.db2.gz UWUBGYKSQXYNCQ-QFIPXVFZSA-N 1 1 470.666 2.566 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@H](C)C2)C1 ZINC001294671446 1062229977 /nfs/dbraw/zinc/22/99/77/1062229977.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@H](C)C2)C1 ZINC001294671446 1062229995 /nfs/dbraw/zinc/22/99/95/1062229995.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294691958 1062251259 /nfs/dbraw/zinc/25/12/59/1062251259.db2.gz DXIYIHIUDJOMFD-FQEVSTJZSA-N 1 1 489.665 2.836 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001294693873 1062254187 /nfs/dbraw/zinc/25/41/87/1062254187.db2.gz IKSBAAAXBFBYCJ-RTWAWAEBSA-N 1 1 496.660 2.883 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001294694692 1062255475 /nfs/dbraw/zinc/25/54/75/1062255475.db2.gz LMKINDCTDOMJTG-DZRGJMJISA-N 1 1 476.666 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294695561 1062257240 /nfs/dbraw/zinc/25/72/40/1062257240.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 1 1 498.676 2.737 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294695962 1062257972 /nfs/dbraw/zinc/25/79/72/1062257972.db2.gz BEZVGZAHZZCNRV-YADHBBJMSA-N 1 1 454.619 2.859 20 0 JFADMO Cc1nc(CN2CCCN(c3nnc(CC(C)(C)C)n3CCCn3cc[nH+]c3C)CC2)no1 ZINC001290469291 1062258427 /nfs/dbraw/zinc/25/84/27/1062258427.db2.gz XLGOSHNWNGVFSA-UHFFFAOYSA-N 1 1 455.611 2.866 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294697095 1062258481 /nfs/dbraw/zinc/25/84/81/1062258481.db2.gz SZEJONBUMARNFV-WWNPGLIZSA-N 1 1 459.683 2.655 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294697096 1062258649 /nfs/dbraw/zinc/25/86/49/1062258649.db2.gz SZEJONBUMARNFV-YMPZKCBVSA-N 1 1 459.683 2.655 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697612 1062259332 /nfs/dbraw/zinc/25/93/32/1062259332.db2.gz VCGZRQWBYBWNAX-QBPKDAKJSA-N 1 1 480.601 2.787 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC001290470823 1062262097 /nfs/dbraw/zinc/26/20/97/1062262097.db2.gz OLUWENUQGODBDC-HXUWFJFHSA-N 1 1 455.559 2.819 20 0 JFADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001290475139 1062266592 /nfs/dbraw/zinc/26/65/92/1062266592.db2.gz WZJPQJLELGZZKN-HSZRJFAPSA-N 1 1 469.615 2.615 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294700961 1062266611 /nfs/dbraw/zinc/26/66/11/1062266611.db2.gz YZTYXYLRKMMZAX-FQEVSTJZSA-N 1 1 475.663 2.513 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294706715 1062270148 /nfs/dbraw/zinc/27/01/48/1062270148.db2.gz CSKSMGBSPHEBQW-NHCUHLMSSA-N 1 1 460.648 2.536 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001294706711 1062270511 /nfs/dbraw/zinc/27/05/11/1062270511.db2.gz CROMTXIFAQKWMD-UXHICEINSA-N 1 1 487.674 2.639 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001294706821 1062270940 /nfs/dbraw/zinc/27/09/40/1062270940.db2.gz LTCOGUFEJSBMMR-QFIPXVFZSA-N 1 1 459.683 2.630 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294706717 1062271270 /nfs/dbraw/zinc/27/12/70/1062271270.db2.gz CSKSMGBSPHEBQW-SFTDATJTSA-N 1 1 460.648 2.536 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294707879 1062272699 /nfs/dbraw/zinc/27/26/99/1062272699.db2.gz BTAWIJKFIBSYRC-PPJWLVRDSA-N 1 1 490.693 2.936 20 0 JFADMO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001294708360 1062274324 /nfs/dbraw/zinc/27/43/24/1062274324.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001294708360 1062274346 /nfs/dbraw/zinc/27/43/46/1062274346.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 1 1 455.651 2.685 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294708525 1062275638 /nfs/dbraw/zinc/27/56/38/1062275638.db2.gz RHBNUNPJBJETBO-ZRBLBEILSA-N 1 1 489.709 2.821 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708575 1062275722 /nfs/dbraw/zinc/27/57/22/1062275722.db2.gz SEPWKUORRGGTND-UXHICEINSA-N 1 1 496.703 2.573 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709373 1062276825 /nfs/dbraw/zinc/27/68/25/1062276825.db2.gz VGCFGCOAYBURDM-LEWJYISDSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294710149 1062278460 /nfs/dbraw/zinc/27/84/60/1062278460.db2.gz LDDSLQKHCSMYIO-PMVMPFDFSA-N 1 1 476.666 2.714 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294710153 1062279103 /nfs/dbraw/zinc/27/91/03/1062279103.db2.gz LDDSLQKHCSMYIO-WWNPGLIZSA-N 1 1 476.666 2.714 20 0 JFADMO CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001287090427 1062281399 /nfs/dbraw/zinc/28/13/99/1062281399.db2.gz GJHSHCZHIGEMJS-KRWDZBQOSA-N 1 1 461.010 2.801 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294712166 1062281529 /nfs/dbraw/zinc/28/15/29/1062281529.db2.gz QEVJXXGXOIKKGT-FGTMMUONSA-N 1 1 472.556 2.899 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294712597 1062282859 /nfs/dbraw/zinc/28/28/59/1062282859.db2.gz UPCMXPFUIZUBCR-ICSRJNTNSA-N 1 1 487.674 2.591 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294713170 1062285764 /nfs/dbraw/zinc/28/57/64/1062285764.db2.gz UQBKWPFTQHNFRF-WBADGQHESA-N 1 1 490.693 2.803 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294713762 1062288189 /nfs/dbraw/zinc/28/81/89/1062288189.db2.gz ZYWOUNMSLDCCMN-PMACEKPBSA-N 1 1 470.618 2.832 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)CC2)cc1F ZINC001290500982 1062292343 /nfs/dbraw/zinc/29/23/43/1062292343.db2.gz GXZUHXFOLJBLSC-AWEZNQCLSA-N 1 1 497.547 2.805 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccccn3)nnc2N(C)CCCS(C)(=O)=O)cc1F ZINC001290503450 1062299060 /nfs/dbraw/zinc/29/90/60/1062299060.db2.gz HGCWLJGWQUICHY-UHFFFAOYSA-N 1 1 497.600 2.816 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cn1 ZINC001290504078 1062301088 /nfs/dbraw/zinc/30/10/88/1062301088.db2.gz QFXUGVWKMQLOFL-ZWOKBUDYSA-N 1 1 487.630 2.715 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC(C)C)C(C)C)cn1 ZINC001290504105 1062301244 /nfs/dbraw/zinc/30/12/44/1062301244.db2.gz QXCIHBKHWUULTF-FQEVSTJZSA-N 1 1 471.631 2.988 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001290505983 1062302655 /nfs/dbraw/zinc/30/26/55/1062302655.db2.gz DVPCWHYLIIINDZ-CQSZACIVSA-N 1 1 475.395 2.688 20 0 JFADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc4cc(OC)cc(OC)c4c3O)CC2)cc1 ZINC001290506296 1062303940 /nfs/dbraw/zinc/30/39/40/1062303940.db2.gz WDOJXBLBLOKKKG-UHFFFAOYSA-N 1 1 451.523 2.902 20 0 JFADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cnc4cc(OC)cc(OC)c4c3O)CC2)cc1 ZINC001290506296 1062303970 /nfs/dbraw/zinc/30/39/70/1062303970.db2.gz WDOJXBLBLOKKKG-UHFFFAOYSA-N 1 1 451.523 2.902 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001290506836 1062304591 /nfs/dbraw/zinc/30/45/91/1062304591.db2.gz FZSMITRSGLSECU-QGZVFWFLSA-N 1 1 453.513 2.721 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507568 1062305419 /nfs/dbraw/zinc/30/54/19/1062305419.db2.gz NDNHYFXJEKSJNA-PXNSSMCTSA-N 1 1 487.630 2.612 20 0 JFADMO CC(C)(O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287098418 1062305460 /nfs/dbraw/zinc/30/54/60/1062305460.db2.gz IODSAKQQFSEEKH-ZCNNSNEGSA-N 1 1 492.665 2.511 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001294725026 1062307208 /nfs/dbraw/zinc/30/72/08/1062307208.db2.gz PPVVGPLMVCILEH-GOSISDBHSA-N 1 1 461.010 2.768 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001294724998 1062307312 /nfs/dbraw/zinc/30/73/12/1062307312.db2.gz OPRQPKPOMLOXSK-UHFFFAOYSA-N 1 1 470.618 2.513 20 0 JFADMO CC(C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001287099377 1062307743 /nfs/dbraw/zinc/30/77/43/1062307743.db2.gz ZHBFEQLHYWGQRT-UHFFFAOYSA-N 1 1 461.010 2.504 20 0 JFADMO CC(C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001287099377 1062307766 /nfs/dbraw/zinc/30/77/66/1062307766.db2.gz ZHBFEQLHYWGQRT-UHFFFAOYSA-N 1 1 461.010 2.504 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001290511190 1062309444 /nfs/dbraw/zinc/30/94/44/1062309444.db2.gz NADVKRDUIBHEKV-UHFFFAOYSA-N 1 1 487.555 2.778 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001290511305 1062310044 /nfs/dbraw/zinc/31/00/44/1062310044.db2.gz QIZCVCCSMKBKOS-UNMCSNQZSA-N 1 1 470.666 2.814 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290511466 1062311382 /nfs/dbraw/zinc/31/13/82/1062311382.db2.gz WBNKNIFIRCXVEC-WMZOPIPTSA-N 1 1 455.538 2.854 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001290511461 1062311714 /nfs/dbraw/zinc/31/17/14/1062311714.db2.gz VZFQQXFBNNSXTG-INIZCTEOSA-N 1 1 457.966 2.682 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001290514004 1062313004 /nfs/dbraw/zinc/31/30/04/1062313004.db2.gz HPKCJACNHMWIHJ-UHFFFAOYSA-N 1 1 492.049 2.959 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001290514672 1062313372 /nfs/dbraw/zinc/31/33/72/1062313372.db2.gz AWSVJRMYILCDSB-KRWDZBQOSA-N 1 1 474.553 2.944 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290514679 1062313696 /nfs/dbraw/zinc/31/36/96/1062313696.db2.gz AXGOHNKSXQFWGM-OAQYLSRUSA-N 1 1 496.616 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001290515569 1062316174 /nfs/dbraw/zinc/31/61/74/1062316174.db2.gz LSYQQSQVZPVSFY-OAQYLSRUSA-N 1 1 464.618 2.990 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001290517938 1062318208 /nfs/dbraw/zinc/31/82/08/1062318208.db2.gz PNSIMFPDQRDART-FFZYEISDSA-N 1 1 483.642 2.931 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001290517911 1062318297 /nfs/dbraw/zinc/31/82/97/1062318297.db2.gz OJFNIDXSVJJCFX-IBGZPJMESA-N 1 1 488.637 2.906 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287108584 1062319548 /nfs/dbraw/zinc/31/95/48/1062319548.db2.gz CTAITLNIEFGYOQ-UHFFFAOYSA-N 1 1 454.619 2.751 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001294735505 1062320720 /nfs/dbraw/zinc/32/07/20/1062320720.db2.gz UZKLUJGAQYDQCY-BGYRXZFFSA-N 1 1 474.675 2.878 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001290521984 1062323020 /nfs/dbraw/zinc/32/30/20/1062323020.db2.gz RTWQQVHSKNNURI-ZDUSSCGKSA-N 1 1 485.433 2.598 20 0 JFADMO CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCCC[C@H]2CC)CC1=O ZINC001294739826 1062323084 /nfs/dbraw/zinc/32/30/84/1062323084.db2.gz JYCGCIZZOGCWKV-JOCHJYFZSA-N 1 1 470.666 2.853 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001290524480 1062325497 /nfs/dbraw/zinc/32/54/97/1062325497.db2.gz DBMPUAFZYMHSIT-SFHVURJKSA-N 1 1 466.590 2.915 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001287112101 1062327765 /nfs/dbraw/zinc/32/77/65/1062327765.db2.gz GREYGQLDRPLRQS-QFIPXVFZSA-N 1 1 486.636 2.550 20 0 JFADMO Cc1[nH+]ccn1CCn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290528420 1062328902 /nfs/dbraw/zinc/32/89/02/1062328902.db2.gz GNJWOAUAICGVRR-CYFREDJKSA-N 1 1 489.621 2.627 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001290529699 1062330814 /nfs/dbraw/zinc/33/08/14/1062330814.db2.gz ROKIJOUCQSSWHA-HXUWFJFHSA-N 1 1 469.565 2.942 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001290529993 1062331163 /nfs/dbraw/zinc/33/11/63/1062331163.db2.gz VDHJNMOJEREMHF-XJKSGUPXSA-N 1 1 483.520 2.631 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001294743496 1062331794 /nfs/dbraw/zinc/33/17/94/1062331794.db2.gz AXZJMYMALXWYNO-SFHVURJKSA-N 1 1 494.566 2.874 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001294743770 1062332882 /nfs/dbraw/zinc/33/28/82/1062332882.db2.gz UJMKTFVGSZYUTC-UHFFFAOYSA-N 1 1 488.608 2.556 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001294743770 1062332905 /nfs/dbraw/zinc/33/29/05/1062332905.db2.gz UJMKTFVGSZYUTC-UHFFFAOYSA-N 1 1 488.608 2.556 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001294743746 1062332951 /nfs/dbraw/zinc/33/29/51/1062332951.db2.gz GVZQJBWGMXBCPD-IRLDBZIGSA-N 1 1 481.645 2.984 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001294743960 1062334463 /nfs/dbraw/zinc/33/44/63/1062334463.db2.gz IDECAKLNRAHCTB-NQIIRXRSSA-N 1 1 490.674 2.724 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001294745169 1062337887 /nfs/dbraw/zinc/33/78/87/1062337887.db2.gz KCUTXQFKGKJHNN-RXVVDRJESA-N 1 1 456.591 2.552 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294745759 1062338160 /nfs/dbraw/zinc/33/81/60/1062338160.db2.gz WJAHCEYQVIBEMB-NRFANRHFSA-N 1 1 490.674 2.736 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cnccn1 ZINC001294745714 1062338467 /nfs/dbraw/zinc/33/84/67/1062338467.db2.gz VDSMXWRUDBEJPA-NRFANRHFSA-N 1 1 483.642 2.692 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294746023 1062338979 /nfs/dbraw/zinc/33/89/79/1062338979.db2.gz YMGRMCIIQJSTIS-MJGOQNOKSA-N 1 1 486.617 2.547 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294752986 1062341382 /nfs/dbraw/zinc/34/13/82/1062341382.db2.gz FGPYKXMRVXVPJM-CMKODMSKSA-N 1 1 470.622 2.959 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001294753188 1062342069 /nfs/dbraw/zinc/34/20/69/1062342069.db2.gz ILOWJTXGVPPSOC-HKUYNNGSSA-N 1 1 471.631 2.992 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294752988 1062342311 /nfs/dbraw/zinc/34/23/11/1062342311.db2.gz FGPYKXMRVXVPJM-WSTZPKSXSA-N 1 1 470.622 2.959 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC ZINC001294754706 1062344025 /nfs/dbraw/zinc/34/40/25/1062344025.db2.gz HLZYOTPWODZMRL-RTWAWAEBSA-N 1 1 475.659 2.742 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294756021 1062346099 /nfs/dbraw/zinc/34/60/99/1062346099.db2.gz WHGFFHFDZKDWKF-MHECFPHRSA-N 1 1 459.639 2.556 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 ZINC001294757112 1062347154 /nfs/dbraw/zinc/34/71/54/1062347154.db2.gz JJMUYQTUYHJQHR-IBGZPJMESA-N 1 1 461.636 2.787 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294757422 1062347251 /nfs/dbraw/zinc/34/72/51/1062347251.db2.gz LHEUWENQLJKIDD-CPJSRVTESA-N 1 1 454.619 2.648 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294760091 1062350175 /nfs/dbraw/zinc/35/01/75/1062350175.db2.gz JWHXFFAQQKGICL-YZIHRLCOSA-N 1 1 490.693 2.936 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CC)n2C[C@H](C(C)C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001294763089 1062351549 /nfs/dbraw/zinc/35/15/49/1062351549.db2.gz ACEHAYNGHZQHBW-OAQYLSRUSA-N 1 1 467.618 2.878 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294764905 1062354798 /nfs/dbraw/zinc/35/47/98/1062354798.db2.gz PYAUHBFGUUFTSF-UFYCRDLUSA-N 1 1 489.665 2.926 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CC(C)C)n2CCC[NH+]2CCOCC2)c2ccccc2c1=O ZINC001294764899 1062354957 /nfs/dbraw/zinc/35/49/57/1062354957.db2.gz PSCOHTWKVMQYGA-UHFFFAOYSA-N 1 1 467.618 2.880 20 0 JFADMO O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001290553367 1062355579 /nfs/dbraw/zinc/35/55/79/1062355579.db2.gz AWJWVWSRBCKRTI-RCZVLFRGSA-N 1 1 452.555 2.953 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287118967 1062357007 /nfs/dbraw/zinc/35/70/07/1062357007.db2.gz SAWBAYBTNWBEHH-JOCHJYFZSA-N 1 1 486.636 2.860 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287118967 1062357024 /nfs/dbraw/zinc/35/70/24/1062357024.db2.gz SAWBAYBTNWBEHH-JOCHJYFZSA-N 1 1 486.636 2.860 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001287120143 1062361850 /nfs/dbraw/zinc/36/18/50/1062361850.db2.gz ICIGNORACCLPSJ-HXUWFJFHSA-N 1 1 472.609 2.672 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001287120397 1062362468 /nfs/dbraw/zinc/36/24/68/1062362468.db2.gz QMIHHSDTQBENKA-PZJWPPBQSA-N 1 1 473.666 2.625 20 0 JFADMO CCCn1nc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001294769236 1062365025 /nfs/dbraw/zinc/36/50/25/1062365025.db2.gz TWFHTZOHVTWBJN-UHFFFAOYSA-N 1 1 495.628 2.795 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121890 1062370061 /nfs/dbraw/zinc/37/00/61/1062370061.db2.gz JLMFTQYEEBTCKA-RTWAWAEBSA-N 1 1 489.709 2.507 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287124290 1062381550 /nfs/dbraw/zinc/38/15/50/1062381550.db2.gz HMNRCLCGZRWWME-VXKWHMMOSA-N 1 1 489.709 2.534 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)C2)n1 ZINC001290583482 1062391614 /nfs/dbraw/zinc/39/16/14/1062391614.db2.gz IKSHGWUPNOYYFJ-NRFANRHFSA-N 1 1 457.671 2.552 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583482 1062391631 /nfs/dbraw/zinc/39/16/31/1062391631.db2.gz IKSHGWUPNOYYFJ-NRFANRHFSA-N 1 1 457.671 2.552 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)C2)n1 ZINC001290583482 1062391654 /nfs/dbraw/zinc/39/16/54/1062391654.db2.gz IKSHGWUPNOYYFJ-NRFANRHFSA-N 1 1 457.671 2.552 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287126944 1062394783 /nfs/dbraw/zinc/39/47/83/1062394783.db2.gz GDDCBQGZWDTTTG-UNMCSNQZSA-N 1 1 487.693 2.872 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294791493 1062408121 /nfs/dbraw/zinc/40/81/21/1062408121.db2.gz NGNSGWBQLDASAB-NRFANRHFSA-N 1 1 452.603 2.958 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCCO2)n1 ZINC001290594332 1062415330 /nfs/dbraw/zinc/41/53/30/1062415330.db2.gz RKJRDAZWDWOCGO-NRFANRHFSA-N 1 1 459.639 2.503 20 0 JFADMO COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)s2)CC1 ZINC001290596281 1062417146 /nfs/dbraw/zinc/41/71/46/1062417146.db2.gz NUJWDVKKCCLPCU-UHFFFAOYSA-N 1 1 456.612 2.995 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001294794377 1062421366 /nfs/dbraw/zinc/42/13/66/1062421366.db2.gz HOJAHKLFBWWDIX-IFMALSPDSA-N 1 1 476.629 2.998 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294794406 1062422528 /nfs/dbraw/zinc/42/25/28/1062422528.db2.gz HXEOVLNCTNBZHG-UXHICEINSA-N 1 1 457.623 2.517 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290605592 1062440871 /nfs/dbraw/zinc/44/08/71/1062440871.db2.gz VBMVIPWZLQAADT-SFHVURJKSA-N 1 1 490.607 2.753 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)C1 ZINC001294800663 1062441733 /nfs/dbraw/zinc/44/17/33/1062441733.db2.gz NKJNIHOOZRHBFB-JOCHJYFZSA-N 1 1 497.692 2.535 20 0 JFADMO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1Cc1ccccc1 ZINC001294801246 1062444135 /nfs/dbraw/zinc/44/41/35/1062444135.db2.gz GBXZKBMDLBQBPH-RHSMWYFYSA-N 1 1 456.340 2.824 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001294805745 1062457642 /nfs/dbraw/zinc/45/76/42/1062457642.db2.gz UYNLFSUCUYAZAT-RBBKRZOGSA-N 1 1 453.635 2.881 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617582 1062471532 /nfs/dbraw/zinc/47/15/32/1062471532.db2.gz KPKDHMHVGJSZBQ-UXHICEINSA-N 1 1 472.638 2.680 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001290620624 1062482370 /nfs/dbraw/zinc/48/23/70/1062482370.db2.gz MELRFKZSYZZEMM-JOCHJYFZSA-N 1 1 481.567 2.931 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624604 1062490279 /nfs/dbraw/zinc/49/02/79/1062490279.db2.gz CVECDNFYLQFZOI-GOTSBHOMSA-N 1 1 484.693 2.955 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cccc(C(N)=O)c2)n1 ZINC001290625426 1062494520 /nfs/dbraw/zinc/49/45/20/1062494520.db2.gz KGILGEVLJSYRGU-UHFFFAOYSA-N 1 1 478.645 2.844 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294821521 1062503356 /nfs/dbraw/zinc/50/33/56/1062503356.db2.gz BAXDTTVRNJXTDA-UHFFFAOYSA-N 1 1 484.645 2.807 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2CCC(=O)NC(C)C)n1 ZINC001290630000 1062503406 /nfs/dbraw/zinc/50/34/06/1062503406.db2.gz WZVMYPUQKHRNON-QHCPKHFHSA-N 1 1 478.645 2.765 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294821521 1062503378 /nfs/dbraw/zinc/50/33/78/1062503378.db2.gz BAXDTTVRNJXTDA-UHFFFAOYSA-N 1 1 484.645 2.807 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001294830362 1062518363 /nfs/dbraw/zinc/51/83/63/1062518363.db2.gz VWMPHGTWVSBSBZ-OAQYLSRUSA-N 1 1 473.666 2.626 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001294833916 1062523634 /nfs/dbraw/zinc/52/36/34/1062523634.db2.gz JPBAWPBZJIMLIW-SCPDWHHUSA-N 1 1 490.693 2.865 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)NCCc2ccccc2)n1 ZINC001290639403 1062523742 /nfs/dbraw/zinc/52/37/42/1062523742.db2.gz ICSXEYCNOWQDDK-UHFFFAOYSA-N 1 1 492.672 2.809 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640131 1062525929 /nfs/dbraw/zinc/52/59/29/1062525929.db2.gz RSQCVBZQMXHNJW-DENIHFKCSA-N 1 1 470.666 2.709 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640793 1062527951 /nfs/dbraw/zinc/52/79/51/1062527951.db2.gz LNXKJNZBWAXNQL-OAQYLSRUSA-N 1 1 484.693 2.955 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001290642097 1062532016 /nfs/dbraw/zinc/53/20/16/1062532016.db2.gz VNDJWQQVRRFWCR-KNQAVFIVSA-N 1 1 470.666 2.565 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001287153990 1062533372 /nfs/dbraw/zinc/53/33/72/1062533372.db2.gz VLPFABSXOOUSSY-LJQANCHMSA-N 1 1 459.683 2.559 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287153990 1062533388 /nfs/dbraw/zinc/53/33/88/1062533388.db2.gz VLPFABSXOOUSSY-LJQANCHMSA-N 1 1 459.683 2.559 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287153990 1062533403 /nfs/dbraw/zinc/53/34/03/1062533403.db2.gz VLPFABSXOOUSSY-LJQANCHMSA-N 1 1 459.683 2.559 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290645650 1062535569 /nfs/dbraw/zinc/53/55/69/1062535569.db2.gz CIJKHKOELQUIGY-LJQANCHMSA-N 1 1 482.599 2.944 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287154459 1062536143 /nfs/dbraw/zinc/53/61/43/1062536143.db2.gz VQKBSEOLWOOOGS-XMMPIXPASA-N 1 1 463.598 2.950 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287154459 1062536169 /nfs/dbraw/zinc/53/61/69/1062536169.db2.gz VQKBSEOLWOOOGS-XMMPIXPASA-N 1 1 463.598 2.950 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001294844609 1062539297 /nfs/dbraw/zinc/53/92/97/1062539297.db2.gz AVPBVNKWBZPUPL-SFHVURJKSA-N 1 1 461.010 2.673 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001290647804 1062543031 /nfs/dbraw/zinc/54/30/31/1062543031.db2.gz PROYDGOPMSBEFN-UHFFFAOYSA-N 1 1 464.609 2.791 20 0 JFADMO CCCNC(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294850409 1062551201 /nfs/dbraw/zinc/55/12/01/1062551201.db2.gz QREOZMAJGFRLPP-BGYRXZFFSA-N 1 1 481.645 2.899 20 0 JFADMO CCCNC(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294850409 1062551221 /nfs/dbraw/zinc/55/12/21/1062551221.db2.gz QREOZMAJGFRLPP-BGYRXZFFSA-N 1 1 481.645 2.899 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001290654680 1062554585 /nfs/dbraw/zinc/55/45/85/1062554585.db2.gz RUIUDDSCTGRVSO-HBMCJLEFSA-N 1 1 461.680 2.707 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001290654682 1062554714 /nfs/dbraw/zinc/55/47/14/1062554714.db2.gz RUIUDDSCTGRVSO-NJYVYQBISA-N 1 1 461.680 2.707 20 0 JFADMO CC(C)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287159476 1062555399 /nfs/dbraw/zinc/55/53/99/1062555399.db2.gz MRBFVIYUXCSGHG-IBGZPJMESA-N 1 1 458.573 2.977 20 0 JFADMO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cnn(C)c4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001290656033 1062556792 /nfs/dbraw/zinc/55/67/92/1062556792.db2.gz DSTLRBTUPKHCHT-FQEVSTJZSA-N 1 1 454.627 2.534 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001287161306 1062561739 /nfs/dbraw/zinc/56/17/39/1062561739.db2.gz LURBSRDAFWVMHL-JOCHJYFZSA-N 1 1 453.566 2.791 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287161361 1062562818 /nfs/dbraw/zinc/56/28/18/1062562818.db2.gz MRKPTUFMZRLJAD-XJUOHMSHSA-N 1 1 490.718 2.833 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287161519 1062563037 /nfs/dbraw/zinc/56/30/37/1062563037.db2.gz AXPJOVAAQUDHSC-UFYCRDLUSA-N 1 1 489.665 2.623 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CCO2)n1 ZINC001290660736 1062567276 /nfs/dbraw/zinc/56/72/76/1062567276.db2.gz OCMHRCDWTYHGIY-YADHBBJMSA-N 1 1 473.666 2.531 20 0 JFADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCOCC1 ZINC001287163396 1062569085 /nfs/dbraw/zinc/56/90/85/1062569085.db2.gz CRAVRPYYFZYTPF-KCZVDYSFSA-N 1 1 492.709 2.904 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163590 1062569855 /nfs/dbraw/zinc/56/98/55/1062569855.db2.gz WRSZBDLFOWGVLC-FGZHOGPDSA-N 1 1 499.660 2.724 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163593 1062570543 /nfs/dbraw/zinc/57/05/43/1062570543.db2.gz WRSZBDLFOWGVLC-YADHBBJMSA-N 1 1 499.660 2.724 20 0 JFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868060 1062572910 /nfs/dbraw/zinc/57/29/10/1062572910.db2.gz PKCSPWGNQYMESR-AOHZBQACSA-N 1 1 453.558 2.677 20 0 JFADMO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccon1)[NH+]1CCOCC1 ZINC001287164911 1062575589 /nfs/dbraw/zinc/57/55/89/1062575589.db2.gz ZOIDGCHWLNECQX-HXUWFJFHSA-N 1 1 458.538 2.977 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287192977 1062621376 /nfs/dbraw/zinc/62/13/76/1062621376.db2.gz MLWHBZVCSPDSOB-HXUWFJFHSA-N 1 1 452.607 2.676 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287199059 1062634960 /nfs/dbraw/zinc/63/49/60/1062634960.db2.gz GUURVHSNRIJPNH-SFHVURJKSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287199059 1062634970 /nfs/dbraw/zinc/63/49/70/1062634970.db2.gz GUURVHSNRIJPNH-SFHVURJKSA-N 1 1 450.628 2.958 20 0 JFADMO CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294899861 1062635032 /nfs/dbraw/zinc/63/50/32/1062635032.db2.gz NFAIFSXBHQXVCC-FCHUYYIVSA-N 1 1 454.619 2.799 20 0 JFADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287200496 1062638367 /nfs/dbraw/zinc/63/83/67/1062638367.db2.gz DWYWKFMYRQYJTO-JOCHJYFZSA-N 1 1 497.679 2.752 20 0 JFADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200838 1062640629 /nfs/dbraw/zinc/64/06/29/1062640629.db2.gz HPROFUVNZLRSQK-UHFFFAOYSA-N 1 1 497.688 2.922 20 0 JFADMO Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001290712552 1062644048 /nfs/dbraw/zinc/64/40/48/1062644048.db2.gz HNMQMTLJSKDRPQ-UHFFFAOYSA-N 1 1 467.517 2.760 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001294909975 1062653919 /nfs/dbraw/zinc/65/39/19/1062653919.db2.gz DZWLHOCGMHIGTH-HXUWFJFHSA-N 1 1 477.613 2.682 20 0 JFADMO Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290734569 1062656462 /nfs/dbraw/zinc/65/64/62/1062656462.db2.gz ZFRFQAIGJIBHPK-QHCPKHFHSA-N 1 1 454.619 2.620 20 0 JFADMO Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001290737540 1062659279 /nfs/dbraw/zinc/65/92/79/1062659279.db2.gz QFMODVMJWPVBAG-BGYRXZFFSA-N 1 1 454.619 2.806 20 0 JFADMO Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001290737540 1062659290 /nfs/dbraw/zinc/65/92/90/1062659290.db2.gz QFMODVMJWPVBAG-BGYRXZFFSA-N 1 1 454.619 2.806 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287212150 1062666001 /nfs/dbraw/zinc/66/60/01/1062666001.db2.gz MNGSQOOOZOFJMB-QFIPXVFZSA-N 1 1 460.667 2.867 20 0 JFADMO Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750511 1062668394 /nfs/dbraw/zinc/66/83/94/1062668394.db2.gz ACZNIOMSHZIIHO-YADARESESA-N 1 1 480.654 2.598 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287213447 1062671744 /nfs/dbraw/zinc/67/17/44/1062671744.db2.gz HCROJQXMJFCKLJ-JOCHJYFZSA-N 1 1 470.662 2.939 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001287215545 1062686083 /nfs/dbraw/zinc/68/60/83/1062686083.db2.gz ACUJHJUYSYYZJO-GOSISDBHSA-N 1 1 495.653 2.610 20 0 JFADMO Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290779536 1062691914 /nfs/dbraw/zinc/69/19/14/1062691914.db2.gz LFMVUDLWWWMGGY-UHFFFAOYSA-N 1 1 474.654 2.941 20 0 JFADMO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287218918 1062700723 /nfs/dbraw/zinc/70/07/23/1062700723.db2.gz CHABBYZNYSVGKI-HXUWFJFHSA-N 1 1 475.659 2.706 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCS(=O)(=O)Cc1ccccc1 ZINC001287218918 1062700743 /nfs/dbraw/zinc/70/07/43/1062700743.db2.gz CHABBYZNYSVGKI-HXUWFJFHSA-N 1 1 475.659 2.706 20 0 JFADMO Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290797546 1062702267 /nfs/dbraw/zinc/70/22/67/1062702267.db2.gz IWCUHBXNMVJWST-GOSISDBHSA-N 1 1 455.529 2.880 20 0 JFADMO Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290802672 1062706735 /nfs/dbraw/zinc/70/67/35/1062706735.db2.gz XAPUSBSGODTNJQ-UHFFFAOYSA-N 1 1 481.571 2.502 20 0 JFADMO CC(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(I)cc1 ZINC001287221908 1062707266 /nfs/dbraw/zinc/70/72/66/1062707266.db2.gz AMIJQHYSOCTOEB-KRWDZBQOSA-N 1 1 467.355 2.575 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(I)cc1 ZINC001287221908 1062707285 /nfs/dbraw/zinc/70/72/85/1062707285.db2.gz AMIJQHYSOCTOEB-KRWDZBQOSA-N 1 1 467.355 2.575 20 0 JFADMO CC(C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287222303 1062708011 /nfs/dbraw/zinc/70/80/11/1062708011.db2.gz FYMCUVPTQLVHIZ-INIZCTEOSA-N 1 1 455.529 2.994 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287222249 1062708160 /nfs/dbraw/zinc/70/81/60/1062708160.db2.gz CRIAAHUMVMBJHY-SFHVURJKSA-N 1 1 450.534 2.790 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294934457 1062712786 /nfs/dbraw/zinc/71/27/86/1062712786.db2.gz JJMLJLXPLHXMTF-WOJBJXKFSA-N 1 1 470.618 2.929 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935886 1062714160 /nfs/dbraw/zinc/71/41/60/1062714160.db2.gz ROXUZSJEYVNJIR-LOSJGSFVSA-N 1 1 473.618 2.814 20 0 JFADMO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001287232707 1062724942 /nfs/dbraw/zinc/72/49/42/1062724942.db2.gz WGSXKYATUFAIRS-LJQANCHMSA-N 1 1 474.654 2.902 20 0 JFADMO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001287232707 1062724961 /nfs/dbraw/zinc/72/49/61/1062724961.db2.gz WGSXKYATUFAIRS-LJQANCHMSA-N 1 1 474.654 2.902 20 0 JFADMO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001290833019 1062725271 /nfs/dbraw/zinc/72/52/71/1062725271.db2.gz IAWHBDRIBOJXIO-UXHICEINSA-N 1 1 453.509 2.749 20 0 JFADMO Cc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837734 1062728118 /nfs/dbraw/zinc/72/81/18/1062728118.db2.gz KMCSRVBFLNFABE-UXHICEINSA-N 1 1 450.628 2.971 20 0 JFADMO Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001290842037 1062731229 /nfs/dbraw/zinc/73/12/29/1062731229.db2.gz KJSMIRSUVSTKEI-JOCHJYFZSA-N 1 1 475.037 2.829 20 0 JFADMO Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001290856182 1062739244 /nfs/dbraw/zinc/73/92/44/1062739244.db2.gz BWBFTBNJAVLLTA-QGZVFWFLSA-N 1 1 474.656 2.830 20 0 JFADMO O=C(CNC(=O)OCC(F)(F)F)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001294954171 1062739699 /nfs/dbraw/zinc/73/96/99/1062739699.db2.gz MXMRGORDAABVRW-UHFFFAOYSA-N 1 1 452.271 2.818 20 0 JFADMO Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001290867012 1062749474 /nfs/dbraw/zinc/74/94/74/1062749474.db2.gz HSYALRBWGJJJIR-OAHLLOKOSA-N 1 1 454.497 2.769 20 0 JFADMO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cn1 ZINC001294969386 1062751827 /nfs/dbraw/zinc/75/18/27/1062751827.db2.gz UYZBXZXRPSCTDE-RBUKOAKNSA-N 1 1 455.607 2.552 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290870018 1062755201 /nfs/dbraw/zinc/75/52/01/1062755201.db2.gz OSSOFRPEIZKCBO-ZRBLBEILSA-N 1 1 473.710 2.868 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870449 1062756182 /nfs/dbraw/zinc/75/61/82/1062756182.db2.gz SZGRPGYYRVUUQX-GCJKJVERSA-N 1 1 453.002 2.921 20 0 JFADMO Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001290875732 1062759710 /nfs/dbraw/zinc/75/97/10/1062759710.db2.gz DULROPUSYRJJTI-UHFFFAOYSA-N 1 1 470.021 2.968 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876308 1062760485 /nfs/dbraw/zinc/76/04/85/1062760485.db2.gz MBEKAXJGMNAECC-KRWDZBQOSA-N 1 1 483.480 2.690 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876315 1062760876 /nfs/dbraw/zinc/76/08/76/1062760876.db2.gz MBEKAXJGMNAECC-QGZVFWFLSA-N 1 1 483.480 2.690 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877222 1062761529 /nfs/dbraw/zinc/76/15/29/1062761529.db2.gz UDYUHTPCVJXQMP-NRFANRHFSA-N 1 1 482.551 2.765 20 0 JFADMO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290888606 1062767639 /nfs/dbraw/zinc/76/76/39/1062767639.db2.gz WXSWAJQLXXNFFY-WIYYLYMNSA-N 1 1 458.607 2.837 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001290890262 1062768374 /nfs/dbraw/zinc/76/83/74/1062768374.db2.gz BNCVYMVHRHYDAD-SBUREZEXSA-N 1 1 451.546 2.794 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)cc2)C1 ZINC001290891793 1062768797 /nfs/dbraw/zinc/76/87/97/1062768797.db2.gz PCZAZOFWUPKXPO-HXUWFJFHSA-N 1 1 451.567 2.918 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892079 1062769820 /nfs/dbraw/zinc/76/98/20/1062769820.db2.gz RSDQJQFUCSNLGN-NQIIRXRSSA-N 1 1 458.603 2.612 20 0 JFADMO CCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294985775 1062772229 /nfs/dbraw/zinc/77/22/29/1062772229.db2.gz WKAZOBJTKBCZNY-TZIWHRDSSA-N 1 1 458.607 2.561 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001287299364 1062773318 /nfs/dbraw/zinc/77/33/18/1062773318.db2.gz SLWIIYRVPLPASX-NRFANRHFSA-N 1 1 461.582 2.968 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001287299364 1062773338 /nfs/dbraw/zinc/77/33/38/1062773338.db2.gz SLWIIYRVPLPASX-NRFANRHFSA-N 1 1 461.582 2.968 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287304300 1062775214 /nfs/dbraw/zinc/77/52/14/1062775214.db2.gz CJQAPPJUGQIZKP-JTHBVZDNSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287304300 1062775231 /nfs/dbraw/zinc/77/52/31/1062775231.db2.gz CJQAPPJUGQIZKP-JTHBVZDNSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287304297 1062775270 /nfs/dbraw/zinc/77/52/70/1062775270.db2.gz CJQAPPJUGQIZKP-FYYLOGMGSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287304297 1062775282 /nfs/dbraw/zinc/77/52/82/1062775282.db2.gz CJQAPPJUGQIZKP-FYYLOGMGSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287308478 1062781321 /nfs/dbraw/zinc/78/13/21/1062781321.db2.gz PTOWHININOKSJA-GMAHTHKFSA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287308478 1062781345 /nfs/dbraw/zinc/78/13/45/1062781345.db2.gz PTOWHININOKSJA-GMAHTHKFSA-N 1 1 456.635 2.872 20 0 JFADMO Cc1noc(C)c1[C@H](C)Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001290910797 1062786210 /nfs/dbraw/zinc/78/62/10/1062786210.db2.gz OINZLGZJSKZMNY-GOSISDBHSA-N 1 1 487.649 2.604 20 0 JFADMO CCCOCc1ccccc1Cn1c(C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295009005 1062797536 /nfs/dbraw/zinc/79/75/36/1062797536.db2.gz RXZMPVODLNUPFJ-YADARESESA-N 1 1 454.619 2.550 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014129 1062802721 /nfs/dbraw/zinc/80/27/21/1062802721.db2.gz IVDWDOVMZNFYDF-RTBURBONSA-N 1 1 454.685 2.822 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001295014540 1062804090 /nfs/dbraw/zinc/80/40/90/1062804090.db2.gz CRAAOMNUEJKZDV-GOSISDBHSA-N 1 1 452.669 2.576 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295015094 1062806674 /nfs/dbraw/zinc/80/66/74/1062806674.db2.gz LSZHRDDKYVPUNM-KDURUIRLSA-N 1 1 466.696 2.822 20 0 JFADMO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290944600 1062818855 /nfs/dbraw/zinc/81/88/55/1062818855.db2.gz SJKZDWIUTMOUJP-PMACEKPBSA-N 1 1 472.638 2.860 20 0 JFADMO CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC001287342682 1062820305 /nfs/dbraw/zinc/82/03/05/1062820305.db2.gz YNNIZRUIIGJDTL-UHFFFAOYSA-N 1 1 456.639 2.688 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001287350734 1062822686 /nfs/dbraw/zinc/82/26/86/1062822686.db2.gz WTVBKIPILMGSEE-WOJBJXKFSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001287350734 1062822719 /nfs/dbraw/zinc/82/27/19/1062822719.db2.gz WTVBKIPILMGSEE-WOJBJXKFSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287352691 1062824696 /nfs/dbraw/zinc/82/46/96/1062824696.db2.gz PRCFTJFKCCWRNJ-FCHUYYIVSA-N 1 1 470.666 2.873 20 0 JFADMO CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001287355303 1062825832 /nfs/dbraw/zinc/82/58/32/1062825832.db2.gz FQLUEXJNIJTJQB-LJQANCHMSA-N 1 1 454.685 2.601 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001295023059 1062827107 /nfs/dbraw/zinc/82/71/07/1062827107.db2.gz VSUFKLIGYREGBZ-GOSISDBHSA-N 1 1 454.685 2.507 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001295024123 1062829221 /nfs/dbraw/zinc/82/92/21/1062829221.db2.gz WIFFJIOCTZQDLU-PZJWPPBQSA-N 1 1 482.695 2.692 20 0 JFADMO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295040527 1062838318 /nfs/dbraw/zinc/83/83/18/1062838318.db2.gz TYAYCIGNBJMRBB-VWLOTQADSA-N 1 1 485.633 2.633 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287399057 1062844265 /nfs/dbraw/zinc/84/42/65/1062844265.db2.gz YMQKAJMUMFHJBW-LJQANCHMSA-N 1 1 490.678 2.540 20 0 JFADMO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287399056 1062844457 /nfs/dbraw/zinc/84/44/57/1062844457.db2.gz YMQKAJMUMFHJBW-IBGZPJMESA-N 1 1 490.678 2.540 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001295045358 1062845386 /nfs/dbraw/zinc/84/53/86/1062845386.db2.gz LSNAUNJAHOBSGM-HXUWFJFHSA-N 1 1 491.681 2.967 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287403110 1062846301 /nfs/dbraw/zinc/84/63/01/1062846301.db2.gz JMFSDCBASANBEZ-CTNGQTDRSA-N 1 1 467.618 2.566 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001287404352 1062847266 /nfs/dbraw/zinc/84/72/66/1062847266.db2.gz XSZJSCYZWBJHSI-WZONZLPQSA-N 1 1 450.628 2.691 20 0 JFADMO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290973313 1062852446 /nfs/dbraw/zinc/85/24/46/1062852446.db2.gz XIHBDWAKDIOKOR-KDURUIRLSA-N 1 1 476.695 2.853 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287420421 1062859920 /nfs/dbraw/zinc/85/99/20/1062859920.db2.gz QNCGYRDTGLNOFZ-GJZUVCINSA-N 1 1 486.636 2.656 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287420430 1062860062 /nfs/dbraw/zinc/86/00/62/1062860062.db2.gz QWGKLLFAHHOJOR-AREMUKBSSA-N 1 1 472.653 2.987 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287420785 1062860429 /nfs/dbraw/zinc/86/04/29/1062860429.db2.gz LLNZFJSIIOQOBF-QHCPKHFHSA-N 1 1 468.646 2.722 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295057597 1062864282 /nfs/dbraw/zinc/86/42/82/1062864282.db2.gz ZEHZGQDYHXOOIT-CEXWTWQISA-N 1 1 476.597 2.581 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295057597 1062864307 /nfs/dbraw/zinc/86/43/07/1062864307.db2.gz ZEHZGQDYHXOOIT-CEXWTWQISA-N 1 1 476.597 2.581 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287438053 1062871958 /nfs/dbraw/zinc/87/19/58/1062871958.db2.gz SCDCQGXEDNEOGO-FGZHOGPDSA-N 1 1 460.667 2.576 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001287442104 1062874638 /nfs/dbraw/zinc/87/46/38/1062874638.db2.gz CMWIBHMOEQGEPQ-SFTDATJTSA-N 1 1 468.712 2.705 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)N(C)C ZINC001287450546 1062887661 /nfs/dbraw/zinc/88/76/61/1062887661.db2.gz JSFMROCUQVOKGD-SANMLTNESA-N 1 1 468.646 2.826 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)N(C)C ZINC001287450546 1062887671 /nfs/dbraw/zinc/88/76/71/1062887671.db2.gz JSFMROCUQVOKGD-SANMLTNESA-N 1 1 468.646 2.826 20 0 JFADMO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287453530 1062888392 /nfs/dbraw/zinc/88/83/92/1062888392.db2.gz FZJHZRJUVUBCMC-XMMPIXPASA-N 1 1 475.037 2.549 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290996268 1062888488 /nfs/dbraw/zinc/88/84/88/1062888488.db2.gz CLVLCJLZHPMBGV-ZVDOUQERSA-N 1 1 487.693 2.727 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)C1 ZINC001290997889 1062890916 /nfs/dbraw/zinc/89/09/16/1062890916.db2.gz NTCVKFMINDHGAQ-ZCNNSNEGSA-N 1 1 498.738 2.850 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999739 1062894493 /nfs/dbraw/zinc/89/44/93/1062894493.db2.gz TTXJMFKHKAKOHK-PLACYPQZSA-N 1 1 476.666 2.616 20 0 JFADMO CC(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291002331 1062898984 /nfs/dbraw/zinc/89/89/84/1062898984.db2.gz ULNQRFOIQJKMKT-OYRHEFFESA-N 1 1 459.683 2.687 20 0 JFADMO CC(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291002331 1062898994 /nfs/dbraw/zinc/89/89/94/1062898994.db2.gz ULNQRFOIQJKMKT-OYRHEFFESA-N 1 1 459.683 2.687 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295074382 1062900294 /nfs/dbraw/zinc/90/02/94/1062900294.db2.gz JDGVKDBZDNJIJX-HSZRJFAPSA-N 1 1 461.614 2.701 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295074918 1062901759 /nfs/dbraw/zinc/90/17/59/1062901759.db2.gz NGHAUICYRBBGTQ-QHCPKHFHSA-N 1 1 461.614 2.701 20 0 JFADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010015 1062907831 /nfs/dbraw/zinc/90/78/31/1062907831.db2.gz NXCFFRLOWRBSST-BHIFYINESA-N 1 1 473.710 2.949 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079289 1062909313 /nfs/dbraw/zinc/90/93/13/1062909313.db2.gz XIUQYRFQTOHQBG-ZWKOTPCHSA-N 1 1 454.575 2.805 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001295079289 1062909334 /nfs/dbraw/zinc/90/93/34/1062909334.db2.gz XIUQYRFQTOHQBG-ZWKOTPCHSA-N 1 1 454.575 2.805 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287464665 1062909619 /nfs/dbraw/zinc/90/96/19/1062909619.db2.gz ROQSXYUKBJOKEK-HSZRJFAPSA-N 1 1 497.688 2.961 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012118 1062914972 /nfs/dbraw/zinc/91/49/72/1062914972.db2.gz UUVHJJCBJZAKSA-LJDSDSDDSA-N 1 1 452.669 2.635 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916499 /nfs/dbraw/zinc/91/64/99/1062916499.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 1 1 494.750 2.859 20 0 JFADMO CC(C)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916523 /nfs/dbraw/zinc/91/65/23/1062916523.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 1 1 494.750 2.859 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012709 1062918299 /nfs/dbraw/zinc/91/82/99/1062918299.db2.gz DCMPWCBXOPDOGK-FGTMMUONSA-N 1 1 496.582 2.551 20 0 JFADMO CCN(C)C(=O)Cn1c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085479 1062922496 /nfs/dbraw/zinc/92/24/96/1062922496.db2.gz XTFKSICWQAQDAH-BKMJKUGQSA-N 1 1 484.645 2.508 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001287472221 1062922557 /nfs/dbraw/zinc/92/25/57/1062922557.db2.gz VHETUSDGGSRDSS-NRFANRHFSA-N 1 1 482.677 2.952 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287475058 1062924383 /nfs/dbraw/zinc/92/43/83/1062924383.db2.gz MTMBUZYHANTOIA-OYRHEFFESA-N 1 1 482.677 2.665 20 0 JFADMO CC[N@H+]1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001295102955 1062931913 /nfs/dbraw/zinc/93/19/13/1062931913.db2.gz CPQSEHTWKZZBQY-KNQAVFIVSA-N 1 1 455.603 2.920 20 0 JFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C[C@H]1C ZINC001295104500 1062932622 /nfs/dbraw/zinc/93/26/22/1062932622.db2.gz UATFZPSCJWDINZ-OAHLLOKOSA-N 1 1 458.422 2.790 20 0 JFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C[C@H]1C ZINC001295104500 1062932647 /nfs/dbraw/zinc/93/26/47/1062932647.db2.gz UATFZPSCJWDINZ-OAHLLOKOSA-N 1 1 458.422 2.790 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001295108647 1062933542 /nfs/dbraw/zinc/93/35/42/1062933542.db2.gz QNCWFKLYOVECQC-QHCPKHFHSA-N 1 1 456.612 2.678 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001295108647 1062933568 /nfs/dbraw/zinc/93/35/68/1062933568.db2.gz QNCWFKLYOVECQC-QHCPKHFHSA-N 1 1 456.612 2.678 20 0 JFADMO CC(C)Cc1nnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001287481346 1062936358 /nfs/dbraw/zinc/93/63/58/1062936358.db2.gz IFSFELPGXHFOJB-UHFFFAOYSA-N 1 1 456.635 2.910 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3nc(C)no3)CC2)c1 ZINC001295125802 1062939204 /nfs/dbraw/zinc/93/92/04/1062939204.db2.gz BDCXDYSBZVAUOZ-UHFFFAOYSA-N 1 1 480.617 2.992 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC001295125785 1062939298 /nfs/dbraw/zinc/93/92/98/1062939298.db2.gz ATPGLZKPNBCAEB-QHCPKHFHSA-N 1 1 495.672 2.755 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295126459 1062941915 /nfs/dbraw/zinc/94/19/15/1062941915.db2.gz HHPKYYFMKYPJHP-SQHAQQRYSA-N 1 1 498.672 2.924 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287486041 1062942217 /nfs/dbraw/zinc/94/22/17/1062942217.db2.gz BVMNUEHIIYSZSP-HSZRJFAPSA-N 1 1 455.651 2.945 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)c1 ZINC001295126898 1062943529 /nfs/dbraw/zinc/94/35/29/1062943529.db2.gz KKEBCZGCWZBVMX-JOCHJYFZSA-N 1 1 465.602 2.639 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001295127142 1062944982 /nfs/dbraw/zinc/94/49/82/1062944982.db2.gz MEPACZAENWXPJS-DBXWQHBBSA-N 1 1 463.648 2.540 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001295127241 1062945597 /nfs/dbraw/zinc/94/55/97/1062945597.db2.gz MLPQIPWFDMPVSP-WIYYLYMNSA-N 1 1 492.690 2.640 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001287488193 1062945645 /nfs/dbraw/zinc/94/56/45/1062945645.db2.gz WXVCYCKANYHNLF-NRFANRHFSA-N 1 1 474.675 2.613 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)c1 ZINC001295127564 1062946521 /nfs/dbraw/zinc/94/65/21/1062946521.db2.gz RMCIEDYKRTYVIL-UHFFFAOYSA-N 1 1 491.644 2.787 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1 ZINC001295128249 1062948596 /nfs/dbraw/zinc/94/85/96/1062948596.db2.gz YWKROZYPVKHJMC-UHFFFAOYSA-N 1 1 460.648 2.517 20 0 JFADMO CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287506461 1062954800 /nfs/dbraw/zinc/95/48/00/1062954800.db2.gz SNZCOVJKXUBZHY-ROUUACIJSA-N 1 1 464.565 2.940 20 0 JFADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CC1 ZINC001295143695 1062962092 /nfs/dbraw/zinc/96/20/92/1062962092.db2.gz DTUGUKGRDBDKNC-ZOBUZTSGSA-N 1 1 470.640 2.551 20 0 JFADMO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CC1 ZINC001295143695 1062962114 /nfs/dbraw/zinc/96/21/14/1062962114.db2.gz DTUGUKGRDBDKNC-ZOBUZTSGSA-N 1 1 470.640 2.551 20 0 JFADMO C[C@@H]1C[C@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291032493 1062963385 /nfs/dbraw/zinc/96/33/85/1062963385.db2.gz PJXRQABKMRRCIB-DENIHFKCSA-N 1 1 474.675 2.611 20 0 JFADMO C[C@@H]1C[C@H](N(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001291032525 1062963915 /nfs/dbraw/zinc/96/39/15/1062963915.db2.gz PVJKGDOISVVFAZ-IFMALSPDSA-N 1 1 468.646 2.924 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(I)cc1 ZINC001295145556 1062966889 /nfs/dbraw/zinc/96/68/89/1062966889.db2.gz FUBNQVBMKJQYFQ-MJGOQNOKSA-N 1 1 450.320 2.904 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051557 1062982295 /nfs/dbraw/zinc/98/22/95/1062982295.db2.gz HDNIPPAYYCDISR-TYBLODHISA-N 1 1 455.651 2.742 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001295169836 1062993693 /nfs/dbraw/zinc/99/36/93/1062993693.db2.gz DYCMYQFIWCIOMP-FQEVSTJZSA-N 1 1 450.381 2.772 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001295180974 1063004038 /nfs/dbraw/zinc/00/40/38/1063004038.db2.gz UHJJDIPQFXPKDG-CTNGQTDRSA-N 1 1 468.627 2.874 20 0 JFADMO CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287627561 1063008351 /nfs/dbraw/zinc/00/83/51/1063008351.db2.gz DJJMPQSSTMTZBZ-FQEVSTJZSA-N 1 1 458.582 2.785 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O ZINC001291064853 1063008667 /nfs/dbraw/zinc/00/86/67/1063008667.db2.gz PRHBVQYXFROVQL-MRXNPFEDSA-N 1 1 453.678 2.952 20 0 JFADMO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295205059 1063021232 /nfs/dbraw/zinc/02/12/32/1063021232.db2.gz CXWHSGHJFLXALO-FSSWDIPSSA-N 1 1 475.659 2.797 20 0 JFADMO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295205058 1063021295 /nfs/dbraw/zinc/02/12/95/1063021295.db2.gz CXWHSGHJFLXALO-BHIFYINESA-N 1 1 475.659 2.797 20 0 JFADMO C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001291073977 1063022113 /nfs/dbraw/zinc/02/21/13/1063022113.db2.gz JDHNELVODYMERW-HJNYFJLDSA-N 1 1 496.722 2.890 20 0 JFADMO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC001295215918 1063029608 /nfs/dbraw/zinc/02/96/08/1063029608.db2.gz CFCGRWBYGGDSAA-NHCUHLMSSA-N 1 1 492.665 2.812 20 0 JFADMO CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295216158 1063030132 /nfs/dbraw/zinc/03/01/32/1063030132.db2.gz HCQAKIZUEJSADT-RXVVDRJESA-N 1 1 477.631 2.534 20 0 JFADMO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCCC1 ZINC001295220225 1063039464 /nfs/dbraw/zinc/03/94/64/1063039464.db2.gz VJORHETVJUDLOQ-NBGIEHNGSA-N 1 1 492.665 2.812 20 0 JFADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001287691435 1063039671 /nfs/dbraw/zinc/03/96/71/1063039671.db2.gz KQDHJLPHHICHGY-UHFFFAOYSA-N 1 1 482.677 2.992 20 0 JFADMO C[C@H]1CCCC[C@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291085336 1063040960 /nfs/dbraw/zinc/04/09/60/1063040960.db2.gz AKPBVAQISYLFSL-LEWJYISDSA-N 1 1 476.666 2.656 20 0 JFADMO C[C@H]1CCCC[C@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291085336 1063040986 /nfs/dbraw/zinc/04/09/86/1063040986.db2.gz AKPBVAQISYLFSL-LEWJYISDSA-N 1 1 476.666 2.656 20 0 JFADMO CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001287700751 1063041978 /nfs/dbraw/zinc/04/19/78/1063041978.db2.gz QEKGVBHMVFEWMT-UHFFFAOYSA-N 1 1 467.622 2.902 20 0 JFADMO CC(C)CN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001287700751 1063041997 /nfs/dbraw/zinc/04/19/97/1063041997.db2.gz QEKGVBHMVFEWMT-UHFFFAOYSA-N 1 1 467.622 2.902 20 0 JFADMO CCC[C@@H]1CN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC[N@@H+]1CCOC ZINC001295222928 1063043054 /nfs/dbraw/zinc/04/30/54/1063043054.db2.gz GQYALQIBZPRAAZ-QGZVFWFLSA-N 1 1 459.591 2.603 20 0 JFADMO CCC[C@@H]1CN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC[N@H+]1CCOC ZINC001295222928 1063043076 /nfs/dbraw/zinc/04/30/76/1063043076.db2.gz GQYALQIBZPRAAZ-QGZVFWFLSA-N 1 1 459.591 2.603 20 0 JFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 ZINC001295228900 1063051105 /nfs/dbraw/zinc/05/11/05/1063051105.db2.gz YDZBWPLQVOAZRS-SFHVURJKSA-N 1 1 451.633 2.608 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229545 1063051932 /nfs/dbraw/zinc/05/19/32/1063051932.db2.gz YRMWXCGYBSDZIC-VXKWHMMOSA-N 1 1 474.675 2.645 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096869 1063059119 /nfs/dbraw/zinc/05/91/19/1063059119.db2.gz LWNGCZCXMRNJCD-UYAOXDASSA-N 1 1 475.588 2.736 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)C1 ZINC001287738486 1063061683 /nfs/dbraw/zinc/06/16/83/1063061683.db2.gz OMDRHZCGUYNKEB-SFTDATJTSA-N 1 1 468.650 2.844 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1CC(F)(F)F ZINC001291098627 1063062381 /nfs/dbraw/zinc/06/23/81/1063062381.db2.gz RGGCUZRDUPOESX-OALUTQOASA-N 1 1 485.599 2.851 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739245 1063062301 /nfs/dbraw/zinc/06/23/01/1063062301.db2.gz RMYZLQORDKCQBY-IAGOWNOFSA-N 1 1 476.638 2.738 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)C1 ZINC001287739945 1063064556 /nfs/dbraw/zinc/06/45/56/1063064556.db2.gz TZQFJLBYUZUECY-QZTJIDSGSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001291099561 1063066005 /nfs/dbraw/zinc/06/60/05/1063066005.db2.gz JPVIWOCPMVXKQL-HXUWFJFHSA-N 1 1 482.677 2.952 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001291099776 1063066704 /nfs/dbraw/zinc/06/67/04/1063066704.db2.gz MXTQLJKCFUFONC-QRVBRYPASA-N 1 1 486.583 2.941 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291099599 1063066954 /nfs/dbraw/zinc/06/69/54/1063066954.db2.gz KEPUWQUQEOHVNY-RTBURBONSA-N 1 1 458.582 2.962 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001291100214 1063067497 /nfs/dbraw/zinc/06/74/97/1063067497.db2.gz VTHJJGLRRQKMMQ-AZUAARDMSA-N 1 1 496.703 2.573 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101169 1063071054 /nfs/dbraw/zinc/07/10/54/1063071054.db2.gz OFDOWSODZYNOGO-LJQANCHMSA-N 1 1 475.682 2.622 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101880 1063074470 /nfs/dbraw/zinc/07/44/70/1063074470.db2.gz DBGFICHDJBRQFV-ROUUACIJSA-N 1 1 490.674 2.667 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101881 1063074510 /nfs/dbraw/zinc/07/45/10/1063074510.db2.gz DBGFICHDJBRQFV-ZWKOTPCHSA-N 1 1 490.674 2.667 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102167 1063075127 /nfs/dbraw/zinc/07/51/27/1063075127.db2.gz INKVEDPQXJWRSY-UNMCSNQZSA-N 1 1 489.686 2.690 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102177 1063075909 /nfs/dbraw/zinc/07/59/09/1063075909.db2.gz IOZUOPSVQKZQOX-OALUTQOASA-N 1 1 467.680 2.696 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102176 1063076039 /nfs/dbraw/zinc/07/60/39/1063076039.db2.gz IOZUOPSVQKZQOX-MOPGFXCFSA-N 1 1 467.680 2.696 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291102362 1063077657 /nfs/dbraw/zinc/07/76/57/1063077657.db2.gz MBGXLCKZWMFBSN-LEWJYISDSA-N 1 1 460.667 2.987 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291102364 1063077826 /nfs/dbraw/zinc/07/78/26/1063077826.db2.gz MBGXLCKZWMFBSN-RTWAWAEBSA-N 1 1 460.667 2.987 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001291102895 1063079114 /nfs/dbraw/zinc/07/91/14/1063079114.db2.gz VFPAZWWTYSVODB-IRLDBZIGSA-N 1 1 468.646 2.781 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103286 1063080000 /nfs/dbraw/zinc/08/00/00/1063080000.db2.gz BFNOQAFAMKUDBC-HSALFYBXSA-N 1 1 470.618 2.813 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103963 1063082102 /nfs/dbraw/zinc/08/21/02/1063082102.db2.gz MUTJEBQNYZYFSG-YDZRNGNQSA-N 1 1 455.669 2.898 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1)S(C)(=O)=O ZINC001295266077 1063083027 /nfs/dbraw/zinc/08/30/27/1063083027.db2.gz DRHYAYRBNUKQIQ-UHFFFAOYSA-N 1 1 454.685 2.916 20 0 JFADMO C[C@H](Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291104800 1063085011 /nfs/dbraw/zinc/08/50/11/1063085011.db2.gz AVOAXGKNNGIPGA-AKHDSKFASA-N 1 1 450.653 2.662 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295267346 1063086644 /nfs/dbraw/zinc/08/66/44/1063086644.db2.gz UIXPLZGJRBQKHU-MOPGFXCFSA-N 1 1 454.685 2.772 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295267349 1063086902 /nfs/dbraw/zinc/08/69/02/1063086902.db2.gz UIXPLZGJRBQKHU-RTBURBONSA-N 1 1 454.685 2.772 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105460 1063087609 /nfs/dbraw/zinc/08/76/09/1063087609.db2.gz JQHGSPUCPMDWTR-MOPGFXCFSA-N 1 1 494.644 2.923 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291105884 1063089451 /nfs/dbraw/zinc/08/94/51/1063089451.db2.gz PAATWXGUDQNPOF-YSTOQKLRSA-N 1 1 454.685 2.881 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295269066 1063089713 /nfs/dbraw/zinc/08/97/13/1063089713.db2.gz AXKDLOZTWPWFKL-WOJBJXKFSA-N 1 1 489.690 2.711 20 0 JFADMO C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCCCCO)[N@H+]1CCC[C@@H](C)C1 ZINC001291106027 1063090778 /nfs/dbraw/zinc/09/07/78/1063090778.db2.gz QRFYEEPYEHHIKF-UXHICEINSA-N 1 1 481.645 2.911 20 0 JFADMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106123 1063092217 /nfs/dbraw/zinc/09/22/17/1063092217.db2.gz RXTLMEZOUMNVTG-RZUBCFFCSA-N 1 1 453.635 2.922 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295269652 1063092959 /nfs/dbraw/zinc/09/29/59/1063092959.db2.gz MOUZGJCAXYEXMC-UXHICEINSA-N 1 1 491.706 2.654 20 0 JFADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(C1)CCCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC001291106682 1063093582 /nfs/dbraw/zinc/09/35/82/1063093582.db2.gz ZGZRAFKPTQWVJB-HKBOAZHASA-N 1 1 496.722 2.938 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106690 1063094404 /nfs/dbraw/zinc/09/44/04/1063094404.db2.gz ZLMLZLFRUFBRIO-MSOLQXFVSA-N 1 1 494.482 2.925 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291106693 1063094491 /nfs/dbraw/zinc/09/44/91/1063094491.db2.gz ZLMLZLFRUFBRIO-ZWKOTPCHSA-N 1 1 494.482 2.925 20 0 JFADMO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291107295 1063096020 /nfs/dbraw/zinc/09/60/20/1063096020.db2.gz HVZASORXVGOHFC-GUDVDZBRSA-N 1 1 458.582 2.784 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108274 1063098866 /nfs/dbraw/zinc/09/88/66/1063098866.db2.gz SWECNPKKSPDGQL-FVVUREQNSA-N 1 1 455.694 2.631 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291108302 1063098997 /nfs/dbraw/zinc/09/89/97/1063098997.db2.gz UDGAXXRDCKSKHW-LEWJYISDSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)O[C@]1(c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001291108917 1063103328 /nfs/dbraw/zinc/10/33/28/1063103328.db2.gz CMOZMGNQMUJELL-ZFGGDYGUSA-N 1 1 459.639 2.772 20 0 JFADMO C[C@H](Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109963 1063106531 /nfs/dbraw/zinc/10/65/31/1063106531.db2.gz UXRZIRYDLHSQPH-VAMGGRTRSA-N 1 1 468.712 2.804 20 0 JFADMO CCN(C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295274149 1063114816 /nfs/dbraw/zinc/11/48/16/1063114816.db2.gz VMHUKYTWJQMNQJ-FPOVZHCZSA-N 1 1 496.722 2.543 20 0 JFADMO CCN(C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCC2)CC1)S(C)(=O)=O ZINC001295274214 1063115977 /nfs/dbraw/zinc/11/59/77/1063115977.db2.gz XNXSNDYEULYVDZ-OAQYLSRUSA-N 1 1 482.695 2.644 20 0 JFADMO CCN(CC(C)C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295276231 1063117989 /nfs/dbraw/zinc/11/79/89/1063117989.db2.gz DMPCROGJRIXDPR-UHFFFAOYSA-N 1 1 458.607 2.609 20 0 JFADMO CCN(CC(C)C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001295285412 1063131800 /nfs/dbraw/zinc/13/18/00/1063131800.db2.gz QOCUJXHYDZJOTR-WOJBJXKFSA-N 1 1 484.711 2.604 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123748 1063140465 /nfs/dbraw/zinc/14/04/65/1063140465.db2.gz QCHJXAXGTBSABO-AABGKKOBSA-N 1 1 484.711 2.652 20 0 JFADMO C[C@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291124400 1063142612 /nfs/dbraw/zinc/14/26/12/1063142612.db2.gz CPFUAHPOYHMSIM-CEXWTWQISA-N 1 1 485.599 2.814 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291124708 1063144414 /nfs/dbraw/zinc/14/44/14/1063144414.db2.gz IPOWCQIFSQKFMP-NRFANRHFSA-N 1 1 468.650 2.942 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001291124763 1063144505 /nfs/dbraw/zinc/14/45/05/1063144505.db2.gz JQCDQZICWRAYSZ-AQNXPRMDSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124789 1063145737 /nfs/dbraw/zinc/14/57/37/1063145737.db2.gz KDYRKGRGTPFCCS-LJQANCHMSA-N 1 1 466.696 2.603 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291124834 1063145764 /nfs/dbraw/zinc/14/57/64/1063145764.db2.gz KSEHXEHHLOVVEM-FQEVSTJZSA-N 1 1 483.665 2.877 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)C1 ZINC001291125425 1063147811 /nfs/dbraw/zinc/14/78/11/1063147811.db2.gz UUCLQINPHUMKAG-QZTJIDSGSA-N 1 1 466.677 2.785 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295296433 1063148330 /nfs/dbraw/zinc/14/83/30/1063148330.db2.gz SPFWIYRXCMQBKK-QHCPKHFHSA-N 1 1 480.661 2.573 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295296433 1063148344 /nfs/dbraw/zinc/14/83/44/1063148344.db2.gz SPFWIYRXCMQBKK-QHCPKHFHSA-N 1 1 480.661 2.573 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295296433 1063148358 /nfs/dbraw/zinc/14/83/58/1063148358.db2.gz SPFWIYRXCMQBKK-QHCPKHFHSA-N 1 1 480.661 2.573 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291126047 1063152286 /nfs/dbraw/zinc/15/22/86/1063152286.db2.gz FUTUHORNNQBFFO-MRXNPFEDSA-N 1 1 461.408 2.718 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001291126438 1063155674 /nfs/dbraw/zinc/15/56/74/1063155674.db2.gz MKHMPUUDBAFABN-IBGZPJMESA-N 1 1 490.674 2.543 20 0 JFADMO C[C@H](CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291126659 1063155812 /nfs/dbraw/zinc/15/58/12/1063155812.db2.gz QDYSEAGXUNBAHR-AQNXPRMDSA-N 1 1 462.664 2.860 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291126967 1063158988 /nfs/dbraw/zinc/15/89/88/1063158988.db2.gz WMARPYUGEOVDFK-ZWKOTPCHSA-N 1 1 467.611 2.770 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126967 1063158994 /nfs/dbraw/zinc/15/89/94/1063158994.db2.gz WMARPYUGEOVDFK-ZWKOTPCHSA-N 1 1 467.611 2.770 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127097 1063159017 /nfs/dbraw/zinc/15/90/17/1063159017.db2.gz YQFRHIMKEPQEDB-NHCUHLMSSA-N 1 1 481.645 2.638 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291127115 1063160322 /nfs/dbraw/zinc/16/03/22/1063160322.db2.gz YXALBVUYHAZGNZ-KKSFZXQISA-N 1 1 474.572 2.678 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127167 1063161228 /nfs/dbraw/zinc/16/12/28/1063161228.db2.gz ZRWIRLGYSNGOJR-XSYGEPLQSA-N 1 1 496.703 2.648 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001291127794 1063162111 /nfs/dbraw/zinc/16/21/11/1063162111.db2.gz MICCRUXTENVDTG-VQTJNVASSA-N 1 1 470.666 2.789 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291128135 1063163239 /nfs/dbraw/zinc/16/32/39/1063163239.db2.gz RRUOQFYZFLQCKB-OALUTQOASA-N 1 1 473.622 2.735 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001295305578 1063168025 /nfs/dbraw/zinc/16/80/25/1063168025.db2.gz KLFQMSMSRIBKSL-FQEVSTJZSA-N 1 1 471.650 2.859 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001295305578 1063168033 /nfs/dbraw/zinc/16/80/33/1063168033.db2.gz KLFQMSMSRIBKSL-FQEVSTJZSA-N 1 1 471.650 2.859 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291129141 1063168445 /nfs/dbraw/zinc/16/84/45/1063168445.db2.gz JJNABUGZRLCPCA-IAGOWNOFSA-N 1 1 467.586 2.502 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291129253 1063169818 /nfs/dbraw/zinc/16/98/18/1063169818.db2.gz LQCXEUGUNNLCLC-HXUWFJFHSA-N 1 1 453.635 2.737 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001291129550 1063172051 /nfs/dbraw/zinc/17/20/51/1063172051.db2.gz QQGPGKXZQGRCLB-INIZCTEOSA-N 1 1 482.555 2.521 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccccc3F)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291129741 1063173746 /nfs/dbraw/zinc/17/37/46/1063173746.db2.gz UGXDOFDRNOWLMN-LJQANCHMSA-N 1 1 492.665 2.506 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291131171 1063179050 /nfs/dbraw/zinc/17/90/50/1063179050.db2.gz WPZIWLPWBQSYTO-MTQWCTHYSA-N 1 1 469.696 2.798 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001295313705 1063184319 /nfs/dbraw/zinc/18/43/19/1063184319.db2.gz MQXHNYPTBLVRCJ-OFNKIYASSA-N 1 1 484.645 2.759 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCC[C@H]1C ZINC001291136219 1063191141 /nfs/dbraw/zinc/19/11/41/1063191141.db2.gz SQLVFFCDAJMACH-QZTJIDSGSA-N 1 1 471.631 2.689 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295317983 1063192657 /nfs/dbraw/zinc/19/26/57/1063192657.db2.gz CAJIRZOZKUZINP-QFIPXVFZSA-N 1 1 499.635 2.729 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137603 1063196923 /nfs/dbraw/zinc/19/69/23/1063196923.db2.gz TZOAOUAGVGDHEQ-QZTJIDSGSA-N 1 1 456.595 2.665 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291137773 1063198888 /nfs/dbraw/zinc/19/88/88/1063198888.db2.gz XUKAKEKSTVDHKW-HSALFYBXSA-N 1 1 489.665 2.579 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291139038 1063201675 /nfs/dbraw/zinc/20/16/75/1063201675.db2.gz UXYZQOFSUYUUIR-AZUAARDMSA-N 1 1 463.623 2.896 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001291139306 1063202746 /nfs/dbraw/zinc/20/27/46/1063202746.db2.gz ZPGWHNKAZKMGFX-IBGZPJMESA-N 1 1 468.627 2.788 20 0 JFADMO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139232 1063202830 /nfs/dbraw/zinc/20/28/30/1063202830.db2.gz YGENQECMAPHXOG-SFHLNBCPSA-N 1 1 475.659 2.828 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291139433 1063203558 /nfs/dbraw/zinc/20/35/58/1063203558.db2.gz BWFFQGGFEWEECM-FQEVSTJZSA-N 1 1 474.675 2.961 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001295326775 1063216356 /nfs/dbraw/zinc/21/63/56/1063216356.db2.gz AIDYKXZIOFMACK-IBGZPJMESA-N 1 1 491.681 2.697 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001295326775 1063216375 /nfs/dbraw/zinc/21/63/75/1063216375.db2.gz AIDYKXZIOFMACK-IBGZPJMESA-N 1 1 491.681 2.697 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326918 1063218270 /nfs/dbraw/zinc/21/82/70/1063218270.db2.gz GNPAKYPFZWDMSR-DHIUTWEWSA-N 1 1 498.720 2.785 20 0 JFADMO CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001291142932 1063220542 /nfs/dbraw/zinc/22/05/42/1063220542.db2.gz OJUOYNUVWOGWCD-NRFANRHFSA-N 1 1 488.702 2.999 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 ZINC001295328123 1063226507 /nfs/dbraw/zinc/22/65/07/1063226507.db2.gz DDUKRSYJLILVPZ-UHFFFAOYSA-N 1 1 493.660 2.585 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 ZINC001295328123 1063226523 /nfs/dbraw/zinc/22/65/23/1063226523.db2.gz DDUKRSYJLILVPZ-UHFFFAOYSA-N 1 1 493.660 2.585 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1(C)C ZINC001291146580 1063231594 /nfs/dbraw/zinc/23/15/94/1063231594.db2.gz HLXSGMSWOUWEID-OSPHWJPCSA-N 1 1 475.037 2.801 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001291146756 1063231945 /nfs/dbraw/zinc/23/19/45/1063231945.db2.gz KCGMLWQCHSATQP-IBGZPJMESA-N 1 1 455.607 2.910 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295333799 1063232743 /nfs/dbraw/zinc/23/27/43/1063232743.db2.gz ALSZUTGRBFXBLO-GJZUVCINSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295333799 1063232756 /nfs/dbraw/zinc/23/27/56/1063232756.db2.gz ALSZUTGRBFXBLO-GJZUVCINSA-N 1 1 497.688 2.706 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2CCOc2ncccc2Cl)CC1 ZINC001295333875 1063234025 /nfs/dbraw/zinc/23/40/25/1063234025.db2.gz DHCISVGPBLJTJX-UHFFFAOYSA-N 1 1 476.025 2.663 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2CCOc2ncccc2Cl)CC1 ZINC001295333875 1063234043 /nfs/dbraw/zinc/23/40/43/1063234043.db2.gz DHCISVGPBLJTJX-UHFFFAOYSA-N 1 1 476.025 2.663 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334197 1063236144 /nfs/dbraw/zinc/23/61/44/1063236144.db2.gz HOQYMPOYRCDLPN-HXUWFJFHSA-N 1 1 490.052 2.997 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334197 1063236165 /nfs/dbraw/zinc/23/61/65/1063236165.db2.gz HOQYMPOYRCDLPN-HXUWFJFHSA-N 1 1 490.052 2.997 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334195 1063236314 /nfs/dbraw/zinc/23/63/14/1063236314.db2.gz HOQYMPOYRCDLPN-FQEVSTJZSA-N 1 1 490.052 2.997 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334195 1063236337 /nfs/dbraw/zinc/23/63/37/1063236337.db2.gz HOQYMPOYRCDLPN-FQEVSTJZSA-N 1 1 490.052 2.997 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334313 1063237376 /nfs/dbraw/zinc/23/73/76/1063237376.db2.gz KFNSTCSZPAMXHO-UHFFFAOYSA-N 1 1 497.047 2.741 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295334313 1063237398 /nfs/dbraw/zinc/23/73/98/1063237398.db2.gz KFNSTCSZPAMXHO-UHFFFAOYSA-N 1 1 497.047 2.741 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2)CC1 ZINC001295334394 1063238224 /nfs/dbraw/zinc/23/82/24/1063238224.db2.gz MSJDPTBQVHCTLJ-HSZRJFAPSA-N 1 1 468.646 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2)CC1 ZINC001295334394 1063238242 /nfs/dbraw/zinc/23/82/42/1063238242.db2.gz MSJDPTBQVHCTLJ-HSZRJFAPSA-N 1 1 468.646 2.909 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295334422 1063238972 /nfs/dbraw/zinc/23/89/72/1063238972.db2.gz NSQYOFBFHNLQRB-QGZVFWFLSA-N 1 1 481.066 2.926 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295334422 1063238996 /nfs/dbraw/zinc/23/89/96/1063238996.db2.gz NSQYOFBFHNLQRB-QGZVFWFLSA-N 1 1 481.066 2.926 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2F)CC1 ZINC001295334420 1063239299 /nfs/dbraw/zinc/23/92/99/1063239299.db2.gz NQEXIDUEUJALBV-UHFFFAOYSA-N 1 1 479.604 2.832 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2F)CC1 ZINC001295334420 1063239326 /nfs/dbraw/zinc/23/93/26/1063239326.db2.gz NQEXIDUEUJALBV-UHFFFAOYSA-N 1 1 479.604 2.832 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCOC2)CC1 ZINC001295334664 1063241747 /nfs/dbraw/zinc/24/17/47/1063241747.db2.gz RXINSMGMVHPRHG-NRFANRHFSA-N 1 1 486.636 2.815 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCOC2)CC1 ZINC001295334664 1063241765 /nfs/dbraw/zinc/24/17/65/1063241765.db2.gz RXINSMGMVHPRHG-NRFANRHFSA-N 1 1 486.636 2.815 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCC2)CC1 ZINC001295334912 1063245778 /nfs/dbraw/zinc/24/57/78/1063245778.db2.gz IVJGVXKLPKTTAL-GPXNEJASSA-N 1 1 488.677 2.739 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCC2)CC1 ZINC001295334912 1063245800 /nfs/dbraw/zinc/24/58/00/1063245800.db2.gz IVJGVXKLPKTTAL-GPXNEJASSA-N 1 1 488.677 2.739 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291162076 1063246631 /nfs/dbraw/zinc/24/66/31/1063246631.db2.gz KTWNHSLDKKIKGM-IEBWSBKVSA-N 1 1 462.545 2.612 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248742 /nfs/dbraw/zinc/24/87/42/1063248742.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCCC2)CC1 ZINC001295335177 1063250082 /nfs/dbraw/zinc/25/00/82/1063250082.db2.gz NJEGWJDAFRXCTB-UHFFFAOYSA-N 1 1 498.672 2.851 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CCCC2)CC1 ZINC001295335177 1063250095 /nfs/dbraw/zinc/25/00/95/1063250095.db2.gz NJEGWJDAFRXCTB-UHFFFAOYSA-N 1 1 498.672 2.851 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2sccc2C)CC1 ZINC001295335359 1063251545 /nfs/dbraw/zinc/25/15/45/1063251545.db2.gz VASJLRYLWHEVMS-UHFFFAOYSA-N 1 1 498.701 2.938 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2sccc2C)CC1 ZINC001295335359 1063251563 /nfs/dbraw/zinc/25/15/63/1063251563.db2.gz VASJLRYLWHEVMS-UHFFFAOYSA-N 1 1 498.701 2.938 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295337317 1063262326 /nfs/dbraw/zinc/26/23/26/1063262326.db2.gz DYEBBNXCJOZISP-UHFFFAOYSA-N 1 1 459.683 2.801 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338045 1063265517 /nfs/dbraw/zinc/26/55/17/1063265517.db2.gz GUJDRBNVMGKBEN-QRQCRPRQSA-N 1 1 452.958 2.730 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295340653 1063269127 /nfs/dbraw/zinc/26/91/27/1063269127.db2.gz YQFJFIZBUMGZMI-SZPZYZBQSA-N 1 1 473.710 2.904 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001295345536 1063283347 /nfs/dbraw/zinc/28/33/47/1063283347.db2.gz FKXKLLFEKREVJN-UHFFFAOYSA-N 1 1 499.660 2.648 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295345779 1063285241 /nfs/dbraw/zinc/28/52/41/1063285241.db2.gz LKKASUJKSMRRFK-OYRHEFFESA-N 1 1 485.681 2.630 20 0 JFADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccn2)C[C@H](C)O1 ZINC001291185579 1063285659 /nfs/dbraw/zinc/28/56/59/1063285659.db2.gz JJCQSYVMKNFYJJ-OALUTQOASA-N 1 1 478.601 2.845 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295346333 1063286709 /nfs/dbraw/zinc/28/67/09/1063286709.db2.gz VKUAVUJQHPGUIX-PMACEKPBSA-N 1 1 456.639 2.977 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291186138 1063288926 /nfs/dbraw/zinc/28/89/26/1063288926.db2.gz AMQFIXZOENCJRV-OKZBNKHCSA-N 1 1 458.582 2.639 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291187362 1063296097 /nfs/dbraw/zinc/29/60/97/1063296097.db2.gz SYWSXIZGNVCAMH-HDICACEKSA-N 1 1 457.623 2.579 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291188017 1063299874 /nfs/dbraw/zinc/29/98/74/1063299874.db2.gz CYWBGOHZQYOOJV-BGYRXZFFSA-N 1 1 486.661 2.987 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291188290 1063302558 /nfs/dbraw/zinc/30/25/58/1063302558.db2.gz HVKMVUOKWBPZHC-BGYRXZFFSA-N 1 1 464.618 2.621 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188801 1063305142 /nfs/dbraw/zinc/30/51/42/1063305142.db2.gz QWDMXLKYRYPJRV-VWPQPMDRSA-N 1 1 468.646 2.653 20 0 JFADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1F ZINC001291188975 1063306988 /nfs/dbraw/zinc/30/69/88/1063306988.db2.gz UBECKTFTKAAVEU-BDXSIMOUSA-N 1 1 478.638 2.952 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195917 1063336022 /nfs/dbraw/zinc/33/60/22/1063336022.db2.gz ANXYNNDLTMFEPC-QZTJIDSGSA-N 1 1 485.599 2.707 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001291196265 1063337973 /nfs/dbraw/zinc/33/79/73/1063337973.db2.gz IBMSNXIBCHAIAI-LJQANCHMSA-N 1 1 467.618 2.756 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291196335 1063338427 /nfs/dbraw/zinc/33/84/27/1063338427.db2.gz JFGHYNAPJFACJM-LJQANCHMSA-N 1 1 489.665 2.740 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291198059 1063346921 /nfs/dbraw/zinc/34/69/21/1063346921.db2.gz OZTCCGVYZCAVMF-JTYJAPAGSA-N 1 1 487.674 2.783 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201874 1063358620 /nfs/dbraw/zinc/35/86/20/1063358620.db2.gz CWVXGZIPNBKQRJ-IXDOHACOSA-N 1 1 474.572 2.674 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205147 1063362258 /nfs/dbraw/zinc/36/22/58/1063362258.db2.gz FLHIOZQXNDVAHH-CABCVRRESA-N 1 1 487.095 2.962 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205148 1063362399 /nfs/dbraw/zinc/36/23/99/1063362399.db2.gz FLHIOZQXNDVAHH-GJZGRUSLSA-N 1 1 487.095 2.962 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001291208596 1063380726 /nfs/dbraw/zinc/38/07/26/1063380726.db2.gz ZMWXKBAGOMXOQG-BNDYYXHWSA-N 1 1 482.695 2.547 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001295403690 1063388877 /nfs/dbraw/zinc/38/88/77/1063388877.db2.gz YMSGRQDISROROT-MJGOQNOKSA-N 1 1 460.604 2.963 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295405716 1063393767 /nfs/dbraw/zinc/39/37/67/1063393767.db2.gz IAVGLXVKOKHYRN-MOPGFXCFSA-N 1 1 467.661 2.899 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295405719 1063394387 /nfs/dbraw/zinc/39/43/87/1063394387.db2.gz IAVGLXVKOKHYRN-OALUTQOASA-N 1 1 467.661 2.899 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291213899 1063409477 /nfs/dbraw/zinc/40/94/77/1063409477.db2.gz MUZBCDVUSPFIIT-MOPGFXCFSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)CC[N@H+](C2CCC2)C1 ZINC001291214929 1063420738 /nfs/dbraw/zinc/42/07/38/1063420738.db2.gz GTULEWOSMCJGRR-GOSISDBHSA-N 1 1 475.659 2.820 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC001291220146 1063448343 /nfs/dbraw/zinc/44/83/43/1063448343.db2.gz YFDDYKVIIVPZTE-WIYYLYMNSA-N 1 1 496.077 2.970 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229785 1063482415 /nfs/dbraw/zinc/48/24/15/1063482415.db2.gz OFOIDIPLYNREMO-AEFFLSMTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229785 1063482423 /nfs/dbraw/zinc/48/24/23/1063482423.db2.gz OFOIDIPLYNREMO-AEFFLSMTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229785 1063482433 /nfs/dbraw/zinc/48/24/33/1063482433.db2.gz OFOIDIPLYNREMO-AEFFLSMTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230728 1063485015 /nfs/dbraw/zinc/48/50/15/1063485015.db2.gz HXECBTYTYONQLA-UXHICEINSA-N 1 1 487.649 2.576 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291234179 1063495047 /nfs/dbraw/zinc/49/50/47/1063495047.db2.gz QXBYWIOOSFRWIF-ICSRJNTNSA-N 1 1 473.622 2.687 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1 ZINC001291238448 1063506682 /nfs/dbraw/zinc/50/66/82/1063506682.db2.gz QQJOYPJZKYHSSZ-KRWDZBQOSA-N 1 1 455.632 2.864 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241741 1063513208 /nfs/dbraw/zinc/51/32/08/1063513208.db2.gz SHCUVFALGMTVIY-CEXWTWQISA-N 1 1 477.654 2.558 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291248369 1063522493 /nfs/dbraw/zinc/52/24/93/1063522493.db2.gz PLOQGTPQRAWGGU-PLOUGOBLSA-N 1 1 462.639 2.551 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001291253144 1063535190 /nfs/dbraw/zinc/53/51/90/1063535190.db2.gz DSTMRLGBPMIMJN-AZUAARDMSA-N 1 1 461.632 2.698 20 0 JFADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001291256115 1063547046 /nfs/dbraw/zinc/54/70/46/1063547046.db2.gz PYHACCJXDQLOQX-NHCUHLMSSA-N 1 1 463.667 2.998 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001291259354 1063552299 /nfs/dbraw/zinc/55/22/99/1063552299.db2.gz QSQVEKQUMLUWIN-SJLPKXTDSA-N 1 1 480.455 2.683 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291263687 1063562392 /nfs/dbraw/zinc/56/23/92/1063562392.db2.gz OQVMDTZKKNRPMO-GOSISDBHSA-N 1 1 463.623 2.753 20 0 JFADMO C[C@H]1CN(c2nnc(CC3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291270576 1063576453 /nfs/dbraw/zinc/57/64/53/1063576453.db2.gz KOTGQFHKPNKBQJ-HKUYNNGSSA-N 1 1 458.573 2.540 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291274864 1063581462 /nfs/dbraw/zinc/58/14/62/1063581462.db2.gz JDJNMUYBSKRWSJ-FQEVSTJZSA-N 1 1 454.619 2.689 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC001291275019 1063581801 /nfs/dbraw/zinc/58/18/01/1063581801.db2.gz LHAHVEPEFVJZNN-OAQYLSRUSA-N 1 1 456.635 2.541 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275019 1063581814 /nfs/dbraw/zinc/58/18/14/1063581814.db2.gz LHAHVEPEFVJZNN-OAQYLSRUSA-N 1 1 456.635 2.541 20 0 JFADMO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275019 1063581824 /nfs/dbraw/zinc/58/18/24/1063581824.db2.gz LHAHVEPEFVJZNN-OAQYLSRUSA-N 1 1 456.635 2.541 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291275792 1063584424 /nfs/dbraw/zinc/58/44/24/1063584424.db2.gz ZMZOOCUJAUWLQR-FQEVSTJZSA-N 1 1 496.578 2.695 20 0 JFADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001291276923 1063588632 /nfs/dbraw/zinc/58/86/32/1063588632.db2.gz UWKNWQQTRLSXGK-WOJBJXKFSA-N 1 1 454.619 2.903 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001291277480 1063590753 /nfs/dbraw/zinc/59/07/53/1063590753.db2.gz DUCCALFXFFIUTJ-ZHRRBRCNSA-N 1 1 494.434 2.690 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001295578289 1063617066 /nfs/dbraw/zinc/61/70/66/1063617066.db2.gz HBJCBRRTUSVPOE-HXUWFJFHSA-N 1 1 481.645 2.629 20 0 JFADMO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286639 1063633605 /nfs/dbraw/zinc/63/36/05/1063633605.db2.gz MOCFEINZMNQHSD-IBGZPJMESA-N 1 1 475.659 2.684 20 0 JFADMO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286639 1063633613 /nfs/dbraw/zinc/63/36/13/1063633613.db2.gz MOCFEINZMNQHSD-IBGZPJMESA-N 1 1 475.659 2.684 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286681 1063633631 /nfs/dbraw/zinc/63/36/31/1063633631.db2.gz NILOQZWZOLUJNA-WOJBJXKFSA-N 1 1 491.681 2.601 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286980 1063635314 /nfs/dbraw/zinc/63/53/14/1063635314.db2.gz RYDAEEUBPLHKIB-RBUKOAKNSA-N 1 1 463.648 2.540 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286980 1063635325 /nfs/dbraw/zinc/63/53/25/1063635325.db2.gz RYDAEEUBPLHKIB-RBUKOAKNSA-N 1 1 463.648 2.540 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)C[C@H](C)O1 ZINC001291287570 1063640520 /nfs/dbraw/zinc/64/05/20/1063640520.db2.gz FAQWMHMTKOZYQJ-UEXGIBASSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287997 1063644857 /nfs/dbraw/zinc/64/48/57/1063644857.db2.gz LIVYZSRGWYTGRO-OALUTQOASA-N 1 1 491.036 2.851 20 0 JFADMO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288008 1063645988 /nfs/dbraw/zinc/64/59/88/1063645988.db2.gz LTAOZGFXXIQCGZ-XWTMOSNGSA-N 1 1 484.692 2.647 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288877 1063653325 /nfs/dbraw/zinc/65/33/25/1063653325.db2.gz ZSKZJNYNKZOERE-MSOLQXFVSA-N 1 1 461.010 2.766 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291289181 1063654721 /nfs/dbraw/zinc/65/47/21/1063654721.db2.gz FWDFFOFMMPKQGT-CALCHBBNSA-N 1 1 483.995 2.880 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001291289123 1063654799 /nfs/dbraw/zinc/65/47/99/1063654799.db2.gz DYPARRGEJOPJEW-IYBDPMFKSA-N 1 1 464.973 2.515 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291289975 1063660422 /nfs/dbraw/zinc/66/04/22/1063660422.db2.gz SNVLDIVNWIDDNF-HBMCJLEFSA-N 1 1 471.650 2.524 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291289978 1063661571 /nfs/dbraw/zinc/66/15/71/1063661571.db2.gz SNVLDIVNWIDDNF-QHAWAJNXSA-N 1 1 471.650 2.524 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291325 1063670273 /nfs/dbraw/zinc/67/02/73/1063670273.db2.gz NCMQQDIYVNYUOB-LRSLUSHPSA-N 1 1 476.666 2.760 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291401 1063670986 /nfs/dbraw/zinc/67/09/86/1063670986.db2.gz OKLQZKCVBMLKMC-QRVBRYPASA-N 1 1 481.601 2.800 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291292029 1063673472 /nfs/dbraw/zinc/67/34/72/1063673472.db2.gz XVUNTLHFZLFDCX-NHCUHLMSSA-N 1 1 472.682 2.735 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291292029 1063673478 /nfs/dbraw/zinc/67/34/78/1063673478.db2.gz XVUNTLHFZLFDCX-NHCUHLMSSA-N 1 1 472.682 2.735 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291292031 1063673569 /nfs/dbraw/zinc/67/35/69/1063673569.db2.gz XVUNTLHFZLFDCX-SFTDATJTSA-N 1 1 472.682 2.735 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291292031 1063673577 /nfs/dbraw/zinc/67/35/77/1063673577.db2.gz XVUNTLHFZLFDCX-SFTDATJTSA-N 1 1 472.682 2.735 20 0 JFADMO C[C@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292566 1063677076 /nfs/dbraw/zinc/67/70/76/1063677076.db2.gz GHLFFOPATOYWEZ-VXKWHMMOSA-N 1 1 486.709 2.812 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001295635032 1063677544 /nfs/dbraw/zinc/67/75/44/1063677544.db2.gz BYLXCUIAZNEUDI-SJLPKXTDSA-N 1 1 466.677 2.993 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292676 1063677659 /nfs/dbraw/zinc/67/76/59/1063677659.db2.gz HRTAWPSUFIPAQQ-OYRHEFFESA-N 1 1 468.646 2.654 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3ccsc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292995 1063680053 /nfs/dbraw/zinc/68/00/53/1063680053.db2.gz MRHCQCITMYTENW-HDICACEKSA-N 1 1 460.648 2.522 20 0 JFADMO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291293109 1063681945 /nfs/dbraw/zinc/68/19/45/1063681945.db2.gz PEEIEYMNSZLZQG-PMACEKPBSA-N 1 1 495.594 2.838 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291293784 1063686128 /nfs/dbraw/zinc/68/61/28/1063686128.db2.gz ZLYVKSZXIFAXJX-FGZHOGPDSA-N 1 1 468.646 2.621 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001295645847 1063686647 /nfs/dbraw/zinc/68/66/47/1063686647.db2.gz BHTWNZDSFBKEJO-FQEVSTJZSA-N 1 1 456.639 2.929 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294431 1063689700 /nfs/dbraw/zinc/68/97/00/1063689700.db2.gz JILMHBUNBSCLLL-AZUAARDMSA-N 1 1 489.665 2.544 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294767 1063691550 /nfs/dbraw/zinc/69/15/50/1063691550.db2.gz PEJPPPNSPCFCIT-ZIAGYGMSSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295467 1063695930 /nfs/dbraw/zinc/69/59/30/1063695930.db2.gz ZJMPDYFRZQONED-IRXDYDNUSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295536 1063696426 /nfs/dbraw/zinc/69/64/26/1063696426.db2.gz AFIALFQXMVDAOV-UYAOXDASSA-N 1 1 455.607 2.804 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295534 1063696491 /nfs/dbraw/zinc/69/64/91/1063696491.db2.gz AFIALFQXMVDAOV-ICSRJNTNSA-N 1 1 455.607 2.804 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295663368 1063706579 /nfs/dbraw/zinc/70/65/79/1063706579.db2.gz ROPMRGNYANDVEK-UHFFFAOYSA-N 1 1 451.619 2.934 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(CCc2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295663368 1063706592 /nfs/dbraw/zinc/70/65/92/1063706592.db2.gz ROPMRGNYANDVEK-UHFFFAOYSA-N 1 1 451.619 2.934 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001291301490 1063709617 /nfs/dbraw/zinc/70/96/17/1063709617.db2.gz DMKXYJUOWQLHCP-PXNSSMCTSA-N 1 1 461.632 2.694 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291301855 1063710259 /nfs/dbraw/zinc/71/02/59/1063710259.db2.gz LXHVMMCDHZUNPD-SJLPKXTDSA-N 1 1 481.439 2.508 20 0 JFADMO C[C@@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001291305272 1063715889 /nfs/dbraw/zinc/71/58/89/1063715889.db2.gz ZWTOMALXPSZLHL-UYAOXDASSA-N 1 1 478.638 2.686 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291306891 1063720717 /nfs/dbraw/zinc/72/07/17/1063720717.db2.gz JGRDYHKKVXKFQA-GOSISDBHSA-N 1 1 465.602 2.565 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291306891 1063720724 /nfs/dbraw/zinc/72/07/24/1063720724.db2.gz JGRDYHKKVXKFQA-GOSISDBHSA-N 1 1 465.602 2.565 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291306994 1063721413 /nfs/dbraw/zinc/72/14/13/1063721413.db2.gz KUDUGCHZPKDRGD-LJQANCHMSA-N 1 1 472.609 2.888 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291306994 1063721426 /nfs/dbraw/zinc/72/14/26/1063721426.db2.gz KUDUGCHZPKDRGD-LJQANCHMSA-N 1 1 472.609 2.888 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001291307127 1063721775 /nfs/dbraw/zinc/72/17/75/1063721775.db2.gz NDXWTPFYWGXRAA-INIZCTEOSA-N 1 1 464.408 2.637 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001291307127 1063721789 /nfs/dbraw/zinc/72/17/89/1063721789.db2.gz NDXWTPFYWGXRAA-INIZCTEOSA-N 1 1 464.408 2.637 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001291307128 1063722039 /nfs/dbraw/zinc/72/20/39/1063722039.db2.gz NDXWTPFYWGXRAA-MRXNPFEDSA-N 1 1 464.408 2.637 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(CO)CC1 ZINC001291307128 1063722056 /nfs/dbraw/zinc/72/20/56/1063722056.db2.gz NDXWTPFYWGXRAA-MRXNPFEDSA-N 1 1 464.408 2.637 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001291307467 1063723903 /nfs/dbraw/zinc/72/39/03/1063723903.db2.gz UOPFOIONGJGALO-HUUCEWRRSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001291307467 1063723914 /nfs/dbraw/zinc/72/39/14/1063723914.db2.gz UOPFOIONGJGALO-HUUCEWRRSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 ZINC001291307698 1063725759 /nfs/dbraw/zinc/72/57/59/1063725759.db2.gz ZNSRPKIFTPAQQX-SFHVURJKSA-N 1 1 456.978 2.713 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(CCO)Cc1ccccc1 ZINC001291307698 1063725770 /nfs/dbraw/zinc/72/57/70/1063725770.db2.gz ZNSRPKIFTPAQQX-SFHVURJKSA-N 1 1 456.978 2.713 20 0 JFADMO C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730896 /nfs/dbraw/zinc/73/08/96/1063730896.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 1 1 497.732 2.841 20 0 JFADMO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001295749478 1063755901 /nfs/dbraw/zinc/75/59/01/1063755901.db2.gz RBHWWRGVNHRBPU-UHFFFAOYSA-N 1 1 480.661 2.816 20 0 JFADMO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291320842 1063760909 /nfs/dbraw/zinc/76/09/09/1063760909.db2.gz BIBWANWBPOOHNH-YCRPNKLZSA-N 1 1 481.439 2.886 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295764665 1063771543 /nfs/dbraw/zinc/77/15/43/1063771543.db2.gz VNVXWDQCEKLKTF-GCJKJVERSA-N 1 1 466.552 2.722 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295764664 1063771562 /nfs/dbraw/zinc/77/15/62/1063771562.db2.gz VNVXWDQCEKLKTF-AVRDEDQJSA-N 1 1 466.552 2.722 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295764667 1063772011 /nfs/dbraw/zinc/77/20/11/1063772011.db2.gz VNVXWDQCEKLKTF-XMSQKQJNSA-N 1 1 466.552 2.722 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291324806 1063772778 /nfs/dbraw/zinc/77/27/78/1063772778.db2.gz AMBSTVUTXRAUQA-UUOWRZLLSA-N 1 1 461.582 2.847 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@@H+](C)C(C)C)C1 ZINC001291339297 1063811781 /nfs/dbraw/zinc/81/17/81/1063811781.db2.gz LEFOHWSKVRSZKQ-IBGZPJMESA-N 1 1 456.591 2.552 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@@H+](C)CCOC)C1 ZINC001291339284 1063811945 /nfs/dbraw/zinc/81/19/45/1063811945.db2.gz KXTXPTVVHCVYFK-HXUWFJFHSA-N 1 1 465.602 2.567 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001291340188 1063816886 /nfs/dbraw/zinc/81/68/86/1063816886.db2.gz DGKMVOPKFLXZJO-ZCNNSNEGSA-N 1 1 468.650 2.987 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1)C(C)C ZINC001295815575 1063818752 /nfs/dbraw/zinc/81/87/52/1063818752.db2.gz JKOYWBGTQDBFMO-RUZDIDTESA-N 1 1 454.619 2.996 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001291341013 1063819376 /nfs/dbraw/zinc/81/93/76/1063819376.db2.gz VTBBVULSOCMGLD-VQTJNVASSA-N 1 1 454.623 2.598 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc(Cl)cn2)CC1)C(C)C ZINC001295815644 1063819776 /nfs/dbraw/zinc/81/97/76/1063819776.db2.gz KZZQVYVNEJCZIH-UHFFFAOYSA-N 1 1 463.030 2.936 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816030 1063821340 /nfs/dbraw/zinc/82/13/40/1063821340.db2.gz RGQHPVLOGIJEFO-RTBURBONSA-N 1 1 489.665 2.738 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1)C(C)C ZINC001295818694 1063822777 /nfs/dbraw/zinc/82/27/77/1063822777.db2.gz AFUUWUXWDSAJTL-SFHVURJKSA-N 1 1 487.674 2.705 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001295818983 1063822954 /nfs/dbraw/zinc/82/29/54/1063822954.db2.gz FFMGOGSBGBOJBL-FQEVSTJZSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C ZINC001295820021 1063824687 /nfs/dbraw/zinc/82/46/87/1063824687.db2.gz ZINADIORZQQXIQ-RBUKOAKNSA-N 1 1 496.653 2.758 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC001295820584 1063825487 /nfs/dbraw/zinc/82/54/87/1063825487.db2.gz DXIICPMQJBXKHT-HKUYNNGSSA-N 1 1 498.632 2.759 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2[C@H](OC)CC[C@@H]2C1)CCC(F)(F)F ZINC001295820556 1063825545 /nfs/dbraw/zinc/82/55/45/1063825545.db2.gz DBOWRMOALMQPHH-IXDOHACOSA-N 1 1 460.545 2.552 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1)C(C)C ZINC001295820633 1063826032 /nfs/dbraw/zinc/82/60/32/1063826032.db2.gz GBDXBRVFKMAPFA-FQEVSTJZSA-N 1 1 469.634 2.636 20 0 JFADMO CC[N@@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1)C(C)C ZINC001295822901 1063829793 /nfs/dbraw/zinc/82/97/93/1063829793.db2.gz HJRBHKAOBUABQG-UHFFFAOYSA-N 1 1 463.652 2.504 20 0 JFADMO CC[N@@H+](CCn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1)CCC(F)(F)F ZINC001295822886 1063829857 /nfs/dbraw/zinc/82/98/57/1063829857.db2.gz GWCIKRCJVQFMDP-UHFFFAOYSA-N 1 1 486.514 2.728 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C1CC1 ZINC001295824288 1063831523 /nfs/dbraw/zinc/83/15/23/1063831523.db2.gz BYGZHMOYXCUWLD-KRWDZBQOSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@]2(CCOC2)C1)C(C)C ZINC001295825323 1063834178 /nfs/dbraw/zinc/83/41/78/1063834178.db2.gz UWIBQRIRFHBFBS-DEOSSOPVSA-N 1 1 490.674 2.543 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001295825359 1063834202 /nfs/dbraw/zinc/83/42/02/1063834202.db2.gz WDDGUNMTDVPAMG-QGZVFWFLSA-N 1 1 464.517 2.918 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001295827089 1063835903 /nfs/dbraw/zinc/83/59/03/1063835903.db2.gz KYAFDUHTRVPPPT-SFHVURJKSA-N 1 1 482.448 2.815 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2oncc2C1)C(C)C ZINC001295827049 1063836106 /nfs/dbraw/zinc/83/61/06/1063836106.db2.gz JQGQMOFMPNXYKR-UHFFFAOYSA-N 1 1 458.588 2.630 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C)C1CC1 ZINC001295829144 1063839855 /nfs/dbraw/zinc/83/98/55/1063839855.db2.gz DWIMQHWJZKPJNC-QGZVFWFLSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001295829731 1063842199 /nfs/dbraw/zinc/84/21/99/1063842199.db2.gz JTVPUOJKZWDAMK-KRWDZBQOSA-N 1 1 455.028 2.737 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)CCC(F)(F)F ZINC001295830143 1063844242 /nfs/dbraw/zinc/84/42/42/1063844242.db2.gz NJCWTTIAMANTQJ-INIZCTEOSA-N 1 1 498.550 2.904 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)C(C)C ZINC001295831174 1063845923 /nfs/dbraw/zinc/84/59/23/1063845923.db2.gz VBJXTTJZVVWCPX-NQIIRXRSSA-N 1 1 453.595 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833703 1063848641 /nfs/dbraw/zinc/84/86/41/1063848641.db2.gz BYTFNOGBGLZADV-WIOPSUGQSA-N 1 1 481.689 2.973 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)CC1)CCC(F)(F)F ZINC001295833804 1063848933 /nfs/dbraw/zinc/84/89/33/1063848933.db2.gz GCXIIJREJOTAOZ-UHFFFAOYSA-N 1 1 473.521 2.517 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)CCC(F)(F)F ZINC001295833885 1063849387 /nfs/dbraw/zinc/84/93/87/1063849387.db2.gz ITSINODIYSHFGH-KRWDZBQOSA-N 1 1 488.580 2.690 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1)C(C)C ZINC001295845170 1063866121 /nfs/dbraw/zinc/86/61/21/1063866121.db2.gz JWLAYOZBRBYOJG-NRFANRHFSA-N 1 1 474.053 2.935 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)C(C)C ZINC001295845408 1063867276 /nfs/dbraw/zinc/86/72/76/1063867276.db2.gz KODSVUGWMLSHAH-NRFANRHFSA-N 1 1 468.650 2.961 20 0 JFADMO CC[N@@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCO1)C(C)C ZINC001295845740 1063867293 /nfs/dbraw/zinc/86/72/93/1063867293.db2.gz LFVKHZRIKDKWFF-GOSISDBHSA-N 1 1 453.591 2.538 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001291359553 1063868712 /nfs/dbraw/zinc/86/87/12/1063868712.db2.gz JECBYJFUAKUCNY-NBGIEHNGSA-N 1 1 463.586 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295846897 1063869403 /nfs/dbraw/zinc/86/94/03/1063869403.db2.gz ZNVLVXJITPKFGT-QRVBRYPASA-N 1 1 477.654 2.699 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC001295846912 1063869425 /nfs/dbraw/zinc/86/94/25/1063869425.db2.gz ZWDQTWBJAZZNKG-GOSISDBHSA-N 1 1 461.998 2.688 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C1CC1 ZINC001295848272 1063871573 /nfs/dbraw/zinc/87/15/73/1063871573.db2.gz KRIJWWMAVGMPIH-KRWDZBQOSA-N 1 1 472.556 2.551 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001295848435 1063872093 /nfs/dbraw/zinc/87/20/93/1063872093.db2.gz LUYSGMXVIQJJGR-PMACEKPBSA-N 1 1 491.681 2.790 20 0 JFADMO CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295850147 1063873601 /nfs/dbraw/zinc/87/36/01/1063873601.db2.gz VAJQFYOFSLDXHU-CJFMBICVSA-N 1 1 492.665 2.730 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291361162 1063873576 /nfs/dbraw/zinc/87/35/76/1063873576.db2.gz HTWISLOVYKZARD-OXJNMPFZSA-N 1 1 451.413 2.882 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291361161 1063873613 /nfs/dbraw/zinc/87/36/13/1063873613.db2.gz HTWISLOVYKZARD-JXFKEZNVSA-N 1 1 451.413 2.882 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)CCC(F)(F)F ZINC001295851006 1063874630 /nfs/dbraw/zinc/87/46/30/1063874630.db2.gz BHXDLOKTOGZFSU-QZTJIDSGSA-N 1 1 474.572 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COc2ccccc2)C1)C(C)C ZINC001295852624 1063877346 /nfs/dbraw/zinc/87/73/46/1063877346.db2.gz KAZSSPOXNCXDTM-RTWAWAEBSA-N 1 1 475.659 2.816 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)C(C)C ZINC001295852716 1063877870 /nfs/dbraw/zinc/87/78/70/1063877870.db2.gz LDCODHFTSYETEZ-HXUWFJFHSA-N 1 1 470.618 2.570 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)C(C)C ZINC001295852714 1063877993 /nfs/dbraw/zinc/87/79/93/1063877993.db2.gz LDCODHFTSYETEZ-FQEVSTJZSA-N 1 1 470.618 2.570 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)C1CC1 ZINC001295853002 1063878516 /nfs/dbraw/zinc/87/85/16/1063878516.db2.gz NHTZNOFTNOTVHD-INIZCTEOSA-N 1 1 463.570 2.833 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295853424 1063880210 /nfs/dbraw/zinc/88/02/10/1063880210.db2.gz PXBPKBFKZVAQML-VQTJNVASSA-N 1 1 499.582 2.857 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1)CCC(F)(F)F ZINC001295854062 1063881934 /nfs/dbraw/zinc/88/19/34/1063881934.db2.gz UCCYDSPNZYRIGV-GOSISDBHSA-N 1 1 472.556 2.505 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882267 /nfs/dbraw/zinc/88/22/67/1063882267.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 1 1 484.542 2.803 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)C(C)C ZINC001295854424 1063883285 /nfs/dbraw/zinc/88/32/85/1063883285.db2.gz WDHQFYPMOMDGBU-FQEVSTJZSA-N 1 1 458.582 2.614 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291364567 1063883819 /nfs/dbraw/zinc/88/38/19/1063883819.db2.gz RSADTQFQBYZKCM-DEOSSOPVSA-N 1 1 475.037 2.894 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291364567 1063883832 /nfs/dbraw/zinc/88/38/32/1063883832.db2.gz RSADTQFQBYZKCM-DEOSSOPVSA-N 1 1 475.037 2.894 20 0 JFADMO CCN(CCn1c(CC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295855039 1063884645 /nfs/dbraw/zinc/88/46/45/1063884645.db2.gz CLQLUFHMUIVTTN-GOSISDBHSA-N 1 1 450.628 2.645 20 0 JFADMO CCN(CCn1c(CC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295855039 1063884654 /nfs/dbraw/zinc/88/46/54/1063884654.db2.gz CLQLUFHMUIVTTN-GOSISDBHSA-N 1 1 450.628 2.645 20 0 JFADMO CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001295856469 1063886894 /nfs/dbraw/zinc/88/68/94/1063886894.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 1 1 493.697 2.847 20 0 JFADMO CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001295856469 1063886904 /nfs/dbraw/zinc/88/69/04/1063886904.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 1 1 493.697 2.847 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1)C(C)C ZINC001295856891 1063887791 /nfs/dbraw/zinc/88/77/91/1063887791.db2.gz MNGMQTLPXWVPMN-HXUWFJFHSA-N 1 1 492.665 2.934 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)C(C)C ZINC001295859323 1063890137 /nfs/dbraw/zinc/89/01/37/1063890137.db2.gz NKHGDOXNCRQTES-UHFFFAOYSA-N 1 1 499.679 2.873 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1)C(C)C ZINC001295861039 1063892577 /nfs/dbraw/zinc/89/25/77/1063892577.db2.gz QTXNJFZTXCCYEN-UHFFFAOYSA-N 1 1 452.607 2.613 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)C(C)C ZINC001295861525 1063894112 /nfs/dbraw/zinc/89/41/12/1063894112.db2.gz YNHCIRUQSOVEJO-OAQYLSRUSA-N 1 1 480.661 2.940 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295861944 1063894594 /nfs/dbraw/zinc/89/45/94/1063894594.db2.gz IQAZROPVJQVWNA-KRWDZBQOSA-N 1 1 456.557 3.000 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC)CC1)C(C)C ZINC001295865078 1063896162 /nfs/dbraw/zinc/89/61/62/1063896162.db2.gz ANNNXVMVLUYJAY-UHFFFAOYSA-N 1 1 457.623 2.666 20 0 JFADMO CC[N@@H+](CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1)C(C)C ZINC001295865303 1063896536 /nfs/dbraw/zinc/89/65/36/1063896536.db2.gz ASKYDRQQORVMIN-UHFFFAOYSA-N 1 1 483.661 2.968 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295866858 1063902092 /nfs/dbraw/zinc/90/20/92/1063902092.db2.gz NATURNUGFMJAMV-LJQANCHMSA-N 1 1 486.583 2.928 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1)C(C)C ZINC001295867741 1063903445 /nfs/dbraw/zinc/90/34/45/1063903445.db2.gz XSDBWGOEGMEHLD-UHFFFAOYSA-N 1 1 484.645 2.753 20 0 JFADMO CC[N@@H+](CCn1c(N2CCN(c3cnccn3)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868656 1063905270 /nfs/dbraw/zinc/90/52/70/1063905270.db2.gz SXZSENNEYZBRIP-UHFFFAOYSA-N 1 1 454.545 2.967 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001291377139 1063908442 /nfs/dbraw/zinc/90/84/42/1063908442.db2.gz IERKZGYMRMKHMU-RUZDIDTESA-N 1 1 454.619 2.989 20 0 JFADMO CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291378040 1063910512 /nfs/dbraw/zinc/91/05/12/1063910512.db2.gz ZSTNPHVJSXOYLO-HXOBKFHXSA-N 1 1 460.648 2.741 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291378262 1063911368 /nfs/dbraw/zinc/91/13/68/1063911368.db2.gz DHXFINSSALKUBY-OFVILXPXSA-N 1 1 457.619 2.793 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291379618 1063914888 /nfs/dbraw/zinc/91/48/88/1063914888.db2.gz BTDODNJZBXLLAS-NRAIQUKZSA-N 1 1 462.639 2.884 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291385783 1063931253 /nfs/dbraw/zinc/93/12/53/1063931253.db2.gz PVDNYRNJQKIZLZ-JKSBSHDWSA-N 1 1 495.466 2.991 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CCN2C1=O ZINC001295888243 1063937396 /nfs/dbraw/zinc/93/73/96/1063937396.db2.gz IBZBJRRYRJXTIC-FQEVSTJZSA-N 1 1 467.618 2.570 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291388981 1063938308 /nfs/dbraw/zinc/93/83/08/1063938308.db2.gz GEIBYMCFPDUFIR-BFFCPOFVSA-N 1 1 487.645 2.916 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291390858 1063941330 /nfs/dbraw/zinc/94/13/30/1063941330.db2.gz CXBJTWAVPSYMOP-BCHFMIIMSA-N 1 1 497.644 2.815 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291393880 1063947345 /nfs/dbraw/zinc/94/73/45/1063947345.db2.gz QCGCQOHHBFVABX-BCHFMIIMSA-N 1 1 481.645 2.910 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291394509 1063948788 /nfs/dbraw/zinc/94/87/88/1063948788.db2.gz YXVIKLPMMKRWBI-QYBDOPJKSA-N 1 1 497.644 2.938 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291394509 1063948796 /nfs/dbraw/zinc/94/87/96/1063948796.db2.gz YXVIKLPMMKRWBI-QYBDOPJKSA-N 1 1 497.644 2.938 20 0 JFADMO CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896760 1063950246 /nfs/dbraw/zinc/95/02/46/1063950246.db2.gz KDQVSEHMATWWCN-REWPJTCUSA-N 1 1 494.644 2.731 20 0 JFADMO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC001295900867 1063954106 /nfs/dbraw/zinc/95/41/06/1063954106.db2.gz CTPLRBJESKQYBV-IBGZPJMESA-N 1 1 464.618 2.716 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291397458 1063954125 /nfs/dbraw/zinc/95/41/25/1063954125.db2.gz KPYGRCXARNBYRE-VVZHRXSXSA-N 1 1 478.726 2.895 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001291398312 1063956399 /nfs/dbraw/zinc/95/63/99/1063956399.db2.gz WNFOKSUYLWMNPK-PBQROFAYSA-N 1 1 494.681 2.914 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291399124 1063958049 /nfs/dbraw/zinc/95/80/49/1063958049.db2.gz HGYFNEKELWVMPX-LZYPDUGYSA-N 1 1 471.646 2.976 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291400505 1063960930 /nfs/dbraw/zinc/96/09/30/1063960930.db2.gz YHPZEECAHKCWAC-IBVKSMDESA-N 1 1 483.661 2.861 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291400505 1063960939 /nfs/dbraw/zinc/96/09/39/1063960939.db2.gz YHPZEECAHKCWAC-IBVKSMDESA-N 1 1 483.661 2.861 20 0 JFADMO CCn1cc(CN(C)c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)cn1 ZINC001295917310 1063970757 /nfs/dbraw/zinc/97/07/57/1063970757.db2.gz HFUCIZFHFSCHKM-UHFFFAOYSA-N 1 1 471.581 2.960 20 0 JFADMO CCn1cc(CN(C)c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)cn1 ZINC001295917310 1063970767 /nfs/dbraw/zinc/97/07/67/1063970767.db2.gz HFUCIZFHFSCHKM-UHFFFAOYSA-N 1 1 471.581 2.960 20 0 JFADMO CCn1cc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CCOC)CC2)cn1 ZINC001295920278 1063975217 /nfs/dbraw/zinc/97/52/17/1063975217.db2.gz QVYXECLRJBLBKY-GOSISDBHSA-N 1 1 457.554 2.590 20 0 JFADMO CCn1cc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[NH+](CCOC)CC2)cn1 ZINC001295920279 1063975231 /nfs/dbraw/zinc/97/52/31/1063975231.db2.gz QVYXECLRJBLBKY-SFHVURJKSA-N 1 1 457.554 2.590 20 0 JFADMO O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001295930480 1063984491 /nfs/dbraw/zinc/98/44/91/1063984491.db2.gz NZPOPZYUNKLMLU-UHFFFAOYSA-N 1 1 456.387 2.906 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)OC ZINC001291418130 1063996904 /nfs/dbraw/zinc/99/69/04/1063996904.db2.gz UFIUNJHMPKWEHE-UEXGIBASSA-N 1 1 483.617 2.812 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291424228 1064006625 /nfs/dbraw/zinc/00/66/25/1064006625.db2.gz VJQZOVCBDPAANZ-CVDCTZTESA-N 1 1 483.665 2.647 20 0 JFADMO CC[C@H](C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CCC[NH+]1CCOCC1 ZINC001291445549 1064019452 /nfs/dbraw/zinc/01/94/52/1064019452.db2.gz OWHVEVDXESVGIT-NRFANRHFSA-N 1 1 456.635 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)c2ccccc2)C[C@@H]1C ZINC001295975486 1064019792 /nfs/dbraw/zinc/01/97/92/1064019792.db2.gz CKKRRYQYMUPKNI-ACRUOGEOSA-N 1 1 453.635 2.958 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C ZINC001295975932 1064020706 /nfs/dbraw/zinc/02/07/06/1064020706.db2.gz HAGSAHQVJDQHNK-SYJLOODJSA-N 1 1 462.545 2.944 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001295975828 1064020802 /nfs/dbraw/zinc/02/08/02/1064020802.db2.gz FJSJUQILEXAQFO-GJZGRUSLSA-N 1 1 453.513 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001295976048 1064021131 /nfs/dbraw/zinc/02/11/31/1064021131.db2.gz CBNBSDBYYTYIAW-UMTXDNHDSA-N 1 1 498.672 2.944 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001291455779 1064021663 /nfs/dbraw/zinc/02/16/63/1064021663.db2.gz DHCYZQIOPBKMGN-RDPSFJRHSA-N 1 1 480.723 2.547 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001291455779 1064021667 /nfs/dbraw/zinc/02/16/67/1064021667.db2.gz DHCYZQIOPBKMGN-RDPSFJRHSA-N 1 1 480.723 2.547 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3[nH]c(C)cc3c2)C[C@H]1C ZINC001295976387 1064022083 /nfs/dbraw/zinc/02/20/83/1064022083.db2.gz CKBJWGZSMVVZAZ-FGTMMUONSA-N 1 1 473.647 2.645 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457309 1064023410 /nfs/dbraw/zinc/02/34/10/1064023410.db2.gz IWPROCPGDVXSSU-UPVQGACJSA-N 1 1 470.662 2.851 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)C[C@H]1C ZINC001295977322 1064023463 /nfs/dbraw/zinc/02/34/63/1064023463.db2.gz KERHOWAPXOVGOA-GJYPPUQNSA-N 1 1 466.989 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001295977329 1064023486 /nfs/dbraw/zinc/02/34/86/1064023486.db2.gz KERHOWAPXOVGOA-TXPKVOOTSA-N 1 1 466.989 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001295977591 1064023965 /nfs/dbraw/zinc/02/39/65/1064023965.db2.gz OTTYQWRDNIKROX-UXHICEINSA-N 1 1 497.669 2.866 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001295977873 1064024272 /nfs/dbraw/zinc/02/42/72/1064024272.db2.gz LYIMZWPFTCGQLR-IKGGRYGDSA-N 1 1 461.661 2.693 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCCN1CCOC1=O ZINC001291458846 1064025286 /nfs/dbraw/zinc/02/52/86/1064025286.db2.gz OTCICLUEJOCNGL-SVFBPWRDSA-N 1 1 472.638 2.887 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001295979130 1064027602 /nfs/dbraw/zinc/02/76/02/1064027602.db2.gz UWTSWQJDAISSLK-DLBZAZTESA-N 1 1 470.039 2.579 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)C[C@@H]1C ZINC001295979649 1064028140 /nfs/dbraw/zinc/02/81/40/1064028140.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 1 1 474.675 2.750 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C2CC2)C[C@@H]1C ZINC001295979649 1064028147 /nfs/dbraw/zinc/02/81/47/1064028147.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 1 1 474.675 2.750 20 0 JFADMO CC[C@@H](C)c1nnc(N(CCO)Cc2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291467596 1064028547 /nfs/dbraw/zinc/02/85/47/1064028547.db2.gz ZSUIMTWOQRUGCK-HYBUGGRVSA-N 1 1 459.660 2.998 20 0 JFADMO CC[C@H](C)c1nnc(N(CCO)Cc2ccccc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291467595 1064028637 /nfs/dbraw/zinc/02/86/37/1064028637.db2.gz ZSUIMTWOQRUGCK-GBXCKJPGSA-N 1 1 459.660 2.998 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001295980096 1064029072 /nfs/dbraw/zinc/02/90/72/1064029072.db2.gz QJLPJMLWTJKYNH-UXHICEINSA-N 1 1 485.633 2.678 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1nc(C)cc1C ZINC001291469762 1064030096 /nfs/dbraw/zinc/03/00/96/1064030096.db2.gz GYALCHJSGGSUFV-YYDVJCTNSA-N 1 1 470.666 2.684 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCO2)C[C@@H]1C ZINC001295980346 1064030129 /nfs/dbraw/zinc/03/01/29/1064030129.db2.gz YQBJKLSKZCOZCN-JXQFQVJHSA-N 1 1 490.674 2.683 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(C)CCCO2)C[C@H]1C ZINC001295980345 1064030181 /nfs/dbraw/zinc/03/01/81/1064030181.db2.gz YQBJKLSKZCOZCN-IMWIBFENSA-N 1 1 490.674 2.683 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001291470167 1064030574 /nfs/dbraw/zinc/03/05/74/1064030574.db2.gz MGZVJRHJVDYWSV-IPMKNSEASA-N 1 1 450.628 2.863 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)Br ZINC001291470748 1064031931 /nfs/dbraw/zinc/03/19/31/1064031931.db2.gz USGOVTXETVCEDH-SQWLQELKSA-N 1 1 477.398 2.768 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@H]1C ZINC001295981348 1064032147 /nfs/dbraw/zinc/03/21/47/1064032147.db2.gz RJPVOENBXIXXLU-HSALFYBXSA-N 1 1 462.664 2.830 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@H]1C ZINC001295981347 1064032217 /nfs/dbraw/zinc/03/22/17/1064032217.db2.gz RJPVOENBXIXXLU-AABGKKOBSA-N 1 1 462.664 2.830 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(OC)c(OC)c1 ZINC001291471060 1064032991 /nfs/dbraw/zinc/03/29/91/1064032991.db2.gz YPBKQXDQLQTFLL-IPJJNNNSSA-N 1 1 484.645 2.846 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)Sc2ccccc2)C[C@@H]1C ZINC001295982453 1064035107 /nfs/dbraw/zinc/03/51/07/1064035107.db2.gz SYHUPKTZWKTPAA-OKYOBFRVSA-N 1 1 480.704 2.988 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001295983157 1064037059 /nfs/dbraw/zinc/03/70/59/1064037059.db2.gz YJSLAMHKDBWRAC-IRXDYDNUSA-N 1 1 482.555 2.729 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983172 1064038075 /nfs/dbraw/zinc/03/80/75/1064038075.db2.gz YOMJFHCIJOADGG-VJBWXMMDSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983172 1064038085 /nfs/dbraw/zinc/03/80/85/1064038085.db2.gz YOMJFHCIJOADGG-VJBWXMMDSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@@H]1C ZINC001295983543 1064039421 /nfs/dbraw/zinc/03/94/21/1064039421.db2.gz WYZDKVPOABQXJM-UFYCRDLUSA-N 1 1 468.606 2.550 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001295984095 1064040739 /nfs/dbraw/zinc/04/07/39/1064040739.db2.gz KXJUAFBWTIELQW-UFYCRDLUSA-N 1 1 472.634 2.602 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001295984051 1064040795 /nfs/dbraw/zinc/04/07/95/1064040795.db2.gz KIVRTGVDJFGENU-YQQAZPJKSA-N 1 1 491.434 2.914 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001291484780 1064041921 /nfs/dbraw/zinc/04/19/21/1064041921.db2.gz FBCUVBVNKUNNKW-WXTAPIANSA-N 1 1 486.636 2.839 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001295985491 1064043036 /nfs/dbraw/zinc/04/30/36/1064043036.db2.gz RGEYWRANCHTEJM-IRXDYDNUSA-N 1 1 469.055 2.847 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001295985493 1064043055 /nfs/dbraw/zinc/04/30/55/1064043055.db2.gz RGEYWRANCHTEJM-SJORKVTESA-N 1 1 469.055 2.847 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295990177 1064045550 /nfs/dbraw/zinc/04/55/50/1064045550.db2.gz FGZJOXPOJXMEQL-SJORKVTESA-N 1 1 489.671 2.607 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@H]1C ZINC001295991802 1064046301 /nfs/dbraw/zinc/04/63/01/1064046301.db2.gz BOPKQXZKUCDDQL-QZTJIDSGSA-N 1 1 467.618 2.926 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@H]1C ZINC001295991800 1064046388 /nfs/dbraw/zinc/04/63/88/1064046388.db2.gz BOPKQXZKUCDDQL-MSOLQXFVSA-N 1 1 467.618 2.926 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291493879 1064046517 /nfs/dbraw/zinc/04/65/17/1064046517.db2.gz QPKXDUJAOZVUCV-KOAQGZTJSA-N 1 1 459.639 2.727 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001295992739 1064047415 /nfs/dbraw/zinc/04/74/15/1064047415.db2.gz FNIKRIOPJRCEKO-ZWKOTPCHSA-N 1 1 483.617 2.866 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001291494184 1064047494 /nfs/dbraw/zinc/04/74/94/1064047494.db2.gz WIHAKAMUTWLEON-YCRPNKLZSA-N 1 1 487.571 2.880 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001295993486 1064048793 /nfs/dbraw/zinc/04/87/93/1064048793.db2.gz HVJCVUMMHRLLTK-PMACEKPBSA-N 1 1 464.618 2.822 20 0 JFADMO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001295993649 1064049286 /nfs/dbraw/zinc/04/92/86/1064049286.db2.gz DQSJOUHGOJDUDW-JFJDKTSWSA-N 1 1 488.702 2.710 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993525 1064049355 /nfs/dbraw/zinc/04/93/55/1064049355.db2.gz IJRYMAOWPSTXNQ-SJORKVTESA-N 1 1 456.595 2.949 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295994073 1064050138 /nfs/dbraw/zinc/05/01/38/1064050138.db2.gz IULLLQRCFDVLGN-RTBURBONSA-N 1 1 451.575 2.728 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@@H]1C ZINC001295994234 1064050263 /nfs/dbraw/zinc/05/02/63/1064050263.db2.gz VBZIJTBJWBFACV-RBUKOAKNSA-N 1 1 466.586 2.687 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291497444 1064050395 /nfs/dbraw/zinc/05/03/95/1064050395.db2.gz XKAKFQNBDVABSI-UWJYYQICSA-N 1 1 485.608 2.829 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994748 1064050558 /nfs/dbraw/zinc/05/05/58/1064050558.db2.gz JKARCAZWKWBMAT-SOLBZPMBSA-N 1 1 493.454 2.588 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1conc1COC ZINC001291498214 1064050719 /nfs/dbraw/zinc/05/07/19/1064050719.db2.gz KMCWQJOKTJBJLQ-LJQANCHMSA-N 1 1 487.649 2.745 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001291498619 1064050794 /nfs/dbraw/zinc/05/07/94/1064050794.db2.gz TXJMBBYOQTYAOC-NMWVFERUSA-N 1 1 492.734 2.863 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001295995765 1064051423 /nfs/dbraw/zinc/05/14/23/1064051423.db2.gz JKKFMJSHAIOOOT-MOPGFXCFSA-N 1 1 456.639 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995774 1064051519 /nfs/dbraw/zinc/05/15/19/1064051519.db2.gz JKKFMJSHAIOOOT-RBUKOAKNSA-N 1 1 456.639 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996167 1064052170 /nfs/dbraw/zinc/05/21/70/1064052170.db2.gz MPDXMUYSAGJQJW-IAGOWNOFSA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001295997412 1064053147 /nfs/dbraw/zinc/05/31/47/1064053147.db2.gz QQLOJENOMGGUBS-VKJFTORMSA-N 1 1 465.524 2.805 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001295997826 1064054367 /nfs/dbraw/zinc/05/43/67/1064054367.db2.gz SJBGHBZIFWDMKT-YRPNKDGESA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998694 1064055602 /nfs/dbraw/zinc/05/56/02/1064055602.db2.gz VAVOSVWGKNTLBQ-QZTJIDSGSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999514 1064056560 /nfs/dbraw/zinc/05/65/60/1064056560.db2.gz BGLMNKSCNVETIZ-ZWKOTPCHSA-N 1 1 451.550 2.961 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001296000811 1064056973 /nfs/dbraw/zinc/05/69/73/1064056973.db2.gz FAHNZOCKDNNYPI-VQTJNVASSA-N 1 1 477.613 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003662 1064058968 /nfs/dbraw/zinc/05/89/68/1064058968.db2.gz VHXROIAJGRGEDF-MSOLQXFVSA-N 1 1 451.575 2.643 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004255 1064059301 /nfs/dbraw/zinc/05/93/01/1064059301.db2.gz YDBZHHZIZFHPHK-NHCUHLMSSA-N 1 1 461.614 2.921 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296007634 1064061138 /nfs/dbraw/zinc/06/11/38/1064061138.db2.gz FILVQVXZZJCZOS-RBUKOAKNSA-N 1 1 466.634 2.598 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061315 /nfs/dbraw/zinc/06/13/15/1064061315.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 1 1 456.635 2.539 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001291510318 1064061677 /nfs/dbraw/zinc/06/16/77/1064061677.db2.gz SUPNSOKPMVHKLB-FPOVZHCZSA-N 1 1 459.683 2.701 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291510643 1064062446 /nfs/dbraw/zinc/06/24/46/1064062446.db2.gz ZSYSZDZMHNSZQQ-FQEVSTJZSA-N 1 1 469.678 2.842 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC001296008384 1064062448 /nfs/dbraw/zinc/06/24/48/1064062448.db2.gz HJYKTHIEDGKPIM-OALUTQOASA-N 1 1 474.675 2.886 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008962 1064063482 /nfs/dbraw/zinc/06/34/82/1064063482.db2.gz COPDJVWIPMDYLX-QZTJIDSGSA-N 1 1 464.561 2.774 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296009311 1064063857 /nfs/dbraw/zinc/06/38/57/1064063857.db2.gz JRJJUDHCHHTXOL-ABSDTBQOSA-N 1 1 459.664 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296009656 1064065773 /nfs/dbraw/zinc/06/57/73/1064065773.db2.gz IBWHAZZNPDLWJA-LEWJYISDSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296009734 1064066300 /nfs/dbraw/zinc/06/63/00/1064066300.db2.gz MNOKMCCRABWGHM-RBUKOAKNSA-N 1 1 488.683 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296009735 1064066462 /nfs/dbraw/zinc/06/64/62/1064066462.db2.gz MNOKMCCRABWGHM-RTBURBONSA-N 1 1 488.683 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001296009812 1064067009 /nfs/dbraw/zinc/06/70/09/1064067009.db2.gz IHENTXCBQOWWQC-LSDHHAIUSA-N 1 1 474.660 2.591 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291514642 1064068056 /nfs/dbraw/zinc/06/80/56/1064068056.db2.gz WSKHFEGCKFUUOJ-FPOVZHCZSA-N 1 1 483.665 2.605 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010351 1064068118 /nfs/dbraw/zinc/06/81/18/1064068118.db2.gz BIOUQXKKSRWIGD-OALUTQOASA-N 1 1 462.639 2.964 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CCN2CCSCC2)C[C@@H]1C ZINC001296010351 1064068125 /nfs/dbraw/zinc/06/81/25/1064068125.db2.gz BIOUQXKKSRWIGD-OALUTQOASA-N 1 1 462.639 2.964 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001291522059 1064073916 /nfs/dbraw/zinc/07/39/16/1064073916.db2.gz YBUONBCNZWGPFE-LEWJYISDSA-N 1 1 459.683 2.514 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291522061 1064073951 /nfs/dbraw/zinc/07/39/51/1064073951.db2.gz YBUONBCNZWGPFE-RTWAWAEBSA-N 1 1 459.683 2.514 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001296013591 1064074489 /nfs/dbraw/zinc/07/44/89/1064074489.db2.gz WNFFRVOAFFQEFQ-LEWJYISDSA-N 1 1 482.633 2.527 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524096 1064074671 /nfs/dbraw/zinc/07/46/71/1064074671.db2.gz GBYKPACWKSLYOR-KNQAVFIVSA-N 1 1 482.677 2.758 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@@H]1C ZINC001296016992 1064078249 /nfs/dbraw/zinc/07/82/49/1064078249.db2.gz WNLYRBDTIFYIID-ROUUACIJSA-N 1 1 470.574 2.967 20 0 JFADMO CCN1C[C@@H](CN(C)c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2CCCO)Oc2ccccc21 ZINC001296016914 1064078336 /nfs/dbraw/zinc/07/83/36/1064078336.db2.gz VWJZHKLLRVUOCO-NHCUHLMSSA-N 1 1 456.635 2.972 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001296017307 1064079099 /nfs/dbraw/zinc/07/90/99/1064079099.db2.gz XWWIQENSQBOMPE-RTWAWAEBSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001296017306 1064079185 /nfs/dbraw/zinc/07/91/85/1064079185.db2.gz XWWIQENSQBOMPE-NHCUHLMSSA-N 1 1 486.661 2.895 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291541489 1064084299 /nfs/dbraw/zinc/08/42/99/1064084299.db2.gz GKLPMDHHLXJIQX-BWAGFHJFSA-N 1 1 485.681 2.784 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001296031071 1064088646 /nfs/dbraw/zinc/08/86/46/1064088646.db2.gz PICZXRHEVCYZTK-GCJKJVERSA-N 1 1 472.609 2.847 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 ZINC001296031073 1064088683 /nfs/dbraw/zinc/08/86/83/1064088683.db2.gz PICZXRHEVCYZTK-XMSQKQJNSA-N 1 1 472.609 2.847 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001296031070 1064088700 /nfs/dbraw/zinc/08/87/00/1064088700.db2.gz PICZXRHEVCYZTK-AVRDEDQJSA-N 1 1 472.609 2.847 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032837 1064090190 /nfs/dbraw/zinc/09/01/90/1064090190.db2.gz FLJKQFVXUFMHMN-CABCVRRESA-N 1 1 473.018 2.659 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296033533 1064091715 /nfs/dbraw/zinc/09/17/15/1064091715.db2.gz MDLYOGQQUUBHRJ-INIZCTEOSA-N 1 1 498.538 2.620 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001296033319 1064091824 /nfs/dbraw/zinc/09/18/24/1064091824.db2.gz KXQIMECKLDCKJG-HUUCEWRRSA-N 1 1 475.084 2.972 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296034146 1064092689 /nfs/dbraw/zinc/09/26/89/1064092689.db2.gz RFECPHTXBFICOV-FHWLQOOXSA-N 1 1 498.632 2.617 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296034147 1064092704 /nfs/dbraw/zinc/09/27/04/1064092704.db2.gz RFECPHTXBFICOV-GBESFXJTSA-N 1 1 498.632 2.617 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001296034081 1064092728 /nfs/dbraw/zinc/09/27/28/1064092728.db2.gz QCSJIOFIZWHNRE-IBGZPJMESA-N 1 1 479.585 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001296035376 1064094569 /nfs/dbraw/zinc/09/45/69/1064094569.db2.gz BTSZKJKIJDOYRE-YCRPNKLZSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC2CCC2)C1 ZINC001296035448 1064094609 /nfs/dbraw/zinc/09/46/09/1064094609.db2.gz DIGKKSUWIFNQCO-LJQANCHMSA-N 1 1 460.648 2.774 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296035849 1064094884 /nfs/dbraw/zinc/09/48/84/1064094884.db2.gz GFKHHQRJIWZEPZ-SJLPKXTDSA-N 1 1 496.475 2.981 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296035850 1064095046 /nfs/dbraw/zinc/09/50/46/1064095046.db2.gz GFKHHQRJIWZEPZ-WMZOPIPTSA-N 1 1 496.475 2.981 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCC(C(=O)NCCOC)CC2)C1 ZINC001296036088 1064095344 /nfs/dbraw/zinc/09/53/44/1064095344.db2.gz HBEFJWKHTCMVLJ-FQEVSTJZSA-N 1 1 454.619 2.574 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001296036199 1064095760 /nfs/dbraw/zinc/09/57/60/1064095760.db2.gz HGVRKRWXOGPYJY-HZPDHXFCSA-N 1 1 491.434 2.725 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001291569305 1064096172 /nfs/dbraw/zinc/09/61/72/1064096172.db2.gz HDMMYMDSOAWGLI-IBGZPJMESA-N 1 1 472.609 2.925 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001296036429 1064096249 /nfs/dbraw/zinc/09/62/49/1064096249.db2.gz JSTTZFJTVLJNGK-QGZVFWFLSA-N 1 1 457.575 2.694 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)s3)nnc2N2CCS(=O)CC2)C1 ZINC001296036584 1064096561 /nfs/dbraw/zinc/09/65/61/1064096561.db2.gz JHKOUCYXIYEFMA-ZDUSSCGKSA-N 1 1 458.451 2.680 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001296037878 1064097950 /nfs/dbraw/zinc/09/79/50/1064097950.db2.gz MOQHPIBYJWNETH-IRXDYDNUSA-N 1 1 462.545 2.980 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](C)O[C@H](COC)C2)C1 ZINC001296039729 1064099368 /nfs/dbraw/zinc/09/93/68/1064099368.db2.gz STOGGNORJHJZEA-BJLQDIEVSA-N 1 1 459.591 2.544 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001296039731 1064099424 /nfs/dbraw/zinc/09/94/24/1064099424.db2.gz STOGGNORJHJZEA-HBFSDRIKSA-N 1 1 459.591 2.544 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001296040765 1064100800 /nfs/dbraw/zinc/10/08/00/1064100800.db2.gz WXJRJBCYGYUOTP-INIZCTEOSA-N 1 1 461.408 2.636 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001296040952 1064100848 /nfs/dbraw/zinc/10/08/48/1064100848.db2.gz ZUNQHROCXXRFAY-YCRPNKLZSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)C[C@H](C)C(=O)NC)C1 ZINC001296042843 1064102313 /nfs/dbraw/zinc/10/23/13/1064102313.db2.gz PBMKCONCVWOJNL-ROUUACIJSA-N 1 1 451.575 2.760 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001296046439 1064106539 /nfs/dbraw/zinc/10/65/39/1064106539.db2.gz OOEVWWAQMVCGAD-ROUUACIJSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001296046440 1064106580 /nfs/dbraw/zinc/10/65/80/1064106580.db2.gz OOEVWWAQMVCGAD-ZWKOTPCHSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC001296048625 1064108352 /nfs/dbraw/zinc/10/83/52/1064108352.db2.gz XKELZJFGIVOFKI-LJQANCHMSA-N 1 1 454.619 2.877 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296050290 1064109566 /nfs/dbraw/zinc/10/95/66/1064109566.db2.gz PQOSRVRVLHUYBL-IRLDBZIGSA-N 1 1 475.659 2.645 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)CCOc2ccc(Cl)cc2)C1 ZINC001296050469 1064110444 /nfs/dbraw/zinc/11/04/44/1064110444.db2.gz RLTWRSFTFDYFRW-GOSISDBHSA-N 1 1 461.010 2.911 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296050961 1064110848 /nfs/dbraw/zinc/11/08/48/1064110848.db2.gz WGFMBCIRBRNMFH-PKTZIBPZSA-N 1 1 468.646 2.766 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296051419 1064111860 /nfs/dbraw/zinc/11/18/60/1064111860.db2.gz FHTXNJZWUJSSRP-VQTJNVASSA-N 1 1 472.638 2.585 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296051939 1064113027 /nfs/dbraw/zinc/11/30/27/1064113027.db2.gz LMBYFSZSWAZKTB-CTNGQTDRSA-N 1 1 461.632 2.521 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291582575 1064114011 /nfs/dbraw/zinc/11/40/11/1064114011.db2.gz XXCZFPKGLLENNE-SFTDATJTSA-N 1 1 484.645 2.961 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296052712 1064114451 /nfs/dbraw/zinc/11/44/51/1064114451.db2.gz UHSYHBNPCIVWJY-NRFANRHFSA-N 1 1 454.619 2.874 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001296052680 1064114474 /nfs/dbraw/zinc/11/44/74/1064114474.db2.gz UEVLNBHUHQFHFC-KRWDZBQOSA-N 1 1 499.106 2.647 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296056345 1064117547 /nfs/dbraw/zinc/11/75/47/1064117547.db2.gz KXSDQPBIWCDWEL-XRSWDHFMSA-N 1 1 481.626 2.784 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001296057236 1064119048 /nfs/dbraw/zinc/11/90/48/1064119048.db2.gz UIOQVJCXTHXMEI-QRVBRYPASA-N 1 1 476.622 2.691 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3C[C@H](C)O[C@H](C(F)(F)F)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296057474 1064119925 /nfs/dbraw/zinc/11/99/25/1064119925.db2.gz YXZFAVDQDXPPKC-RYLXDESZSA-N 1 1 475.556 2.817 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296058885 1064120985 /nfs/dbraw/zinc/12/09/85/1064120985.db2.gz DPMMCZFTDOQTHX-AZUAARDMSA-N 1 1 491.036 2.851 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296058947 1064121513 /nfs/dbraw/zinc/12/15/13/1064121513.db2.gz FTBLOZSFCZVKEG-QRQLOZEOSA-N 1 1 451.518 2.881 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291589457 1064121580 /nfs/dbraw/zinc/12/15/80/1064121580.db2.gz KAUIYLYEPPIGEU-UXHICEINSA-N 1 1 470.618 2.949 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001296059307 1064121802 /nfs/dbraw/zinc/12/18/02/1064121802.db2.gz CCSNETCKMRPYAS-PMACEKPBSA-N 1 1 461.632 2.838 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCS(=O)CC1 ZINC001296059159 1064121860 /nfs/dbraw/zinc/12/18/60/1064121860.db2.gz BCWQCETWSNROPH-INIZCTEOSA-N 1 1 482.448 2.769 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291590775 1064125123 /nfs/dbraw/zinc/12/51/23/1064125123.db2.gz UKBPRRWTMUSNAQ-SFTDATJTSA-N 1 1 461.655 2.630 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)CC1 ZINC001296060544 1064125733 /nfs/dbraw/zinc/12/57/33/1064125733.db2.gz QUODZZJIPAVGLO-SFHVURJKSA-N 1 1 482.601 2.915 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1)S(C)(=O)=O ZINC001296060827 1064126199 /nfs/dbraw/zinc/12/61/99/1064126199.db2.gz SAFUYQXOINWIBY-OAQYLSRUSA-N 1 1 490.674 2.688 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291593142 1064127797 /nfs/dbraw/zinc/12/77/97/1064127797.db2.gz ATQZPZKLEQUDOE-PMACEKPBSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001296062450 1064128254 /nfs/dbraw/zinc/12/82/54/1064128254.db2.gz PHARRSRSUSHLKG-IEBWSBKVSA-N 1 1 458.611 2.609 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(F)(F)F ZINC001296063554 1064129504 /nfs/dbraw/zinc/12/95/04/1064129504.db2.gz WUTGBDQYEPPISG-CQSZACIVSA-N 1 1 459.542 2.721 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001296063632 1064130049 /nfs/dbraw/zinc/13/00/49/1064130049.db2.gz XDQODKNUDGQRCX-CTNGQTDRSA-N 1 1 489.690 2.609 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296066246 1064131685 /nfs/dbraw/zinc/13/16/85/1064131685.db2.gz BPPGKNDDCYTCAX-MJGOQNOKSA-N 1 1 477.654 2.577 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001296067698 1064132795 /nfs/dbraw/zinc/13/27/95/1064132795.db2.gz KPFDVQOLCISJKL-PMACEKPBSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067343 1064132836 /nfs/dbraw/zinc/13/28/36/1064132836.db2.gz IIVOIJNOKTXMIU-WOJBJXKFSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067343 1064132837 /nfs/dbraw/zinc/13/28/37/1064132837.db2.gz IIVOIJNOKTXMIU-WOJBJXKFSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001296068395 1064133904 /nfs/dbraw/zinc/13/39/04/1064133904.db2.gz OKONSDNHLJFJAL-DLBZAZTESA-N 1 1 463.570 2.833 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccccc1C ZINC001296068217 1064133952 /nfs/dbraw/zinc/13/39/52/1064133952.db2.gz NAGIYEDNMOHGQZ-LEWJYISDSA-N 1 1 475.659 2.878 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291598762 1064133931 /nfs/dbraw/zinc/13/39/31/1064133931.db2.gz CTCDAPQKAGIESS-TUNNFDKTSA-N 1 1 454.619 2.750 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1 ZINC001296069605 1064135135 /nfs/dbraw/zinc/13/51/35/1064135135.db2.gz XXOWXIFKGJRJHQ-CABCVRRESA-N 1 1 486.436 2.656 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296073283 1064137940 /nfs/dbraw/zinc/13/79/40/1064137940.db2.gz IBKOFUSXKIKYOE-HSZRJFAPSA-N 1 1 488.702 2.798 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCCc2ccccc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001296073425 1064138569 /nfs/dbraw/zinc/13/85/69/1064138569.db2.gz IXXZNIUDIOMHCF-HSZRJFAPSA-N 1 1 488.702 2.798 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001296073926 1064140082 /nfs/dbraw/zinc/14/00/82/1064140082.db2.gz LIGPTLCGOHSGHF-YDZJVOIISA-N 1 1 472.659 2.820 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 ZINC001296074563 1064140494 /nfs/dbraw/zinc/14/04/94/1064140494.db2.gz LNIDGIOCOUMUQI-AQNXPRMDSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296074532 1064140518 /nfs/dbraw/zinc/14/05/18/1064140518.db2.gz LIQYYLJOEUSKCV-BPJXYHRLSA-N 1 1 472.659 2.762 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001296074770 1064141528 /nfs/dbraw/zinc/14/15/28/1064141528.db2.gz XPDBKKDGDNXLCG-YADHBBJMSA-N 1 1 473.710 2.874 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001296074722 1064141538 /nfs/dbraw/zinc/14/15/38/1064141538.db2.gz MFMCMGDXFCDAOZ-QYZOEREBSA-N 1 1 498.694 2.704 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCN(S(=O)(=O)c3ccccc3C)CC2)nnc1C(C)(C)C ZINC001296075133 1064141956 /nfs/dbraw/zinc/14/19/56/1064141956.db2.gz NGDIRZAVONLTEY-FQEVSTJZSA-N 1 1 474.675 2.879 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001296075215 1064142732 /nfs/dbraw/zinc/14/27/32/1064142732.db2.gz NLZXXVZBSMLAAT-HXUWFJFHSA-N 1 1 469.634 2.626 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296075681 1064142756 /nfs/dbraw/zinc/14/27/56/1064142756.db2.gz PVXPUCJOMXDDBD-GOSISDBHSA-N 1 1 479.622 2.884 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296075143 1064142759 /nfs/dbraw/zinc/14/27/59/1064142759.db2.gz NKSXLJTZEFCGAE-BZSNNMDCSA-N 1 1 473.540 2.834 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001296075704 1064143330 /nfs/dbraw/zinc/14/33/30/1064143330.db2.gz QHUGAUMTRLCFGE-TYPHKJRUSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001296080213 1064147372 /nfs/dbraw/zinc/14/73/72/1064147372.db2.gz LEPREPJUWISWFE-GUDVDZBRSA-N 1 1 470.684 2.547 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296081200 1064148673 /nfs/dbraw/zinc/14/86/73/1064148673.db2.gz QPGYUQQKEKSWGP-AZUAARDMSA-N 1 1 489.020 2.735 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081203 1064148692 /nfs/dbraw/zinc/14/86/92/1064148692.db2.gz QPGYUQQKEKSWGP-UYAOXDASSA-N 1 1 489.020 2.735 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081251 1064148772 /nfs/dbraw/zinc/14/87/72/1064148772.db2.gz RWPUHZVSVCFWTA-QFIPXVFZSA-N 1 1 467.618 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614183 1064151330 /nfs/dbraw/zinc/15/13/30/1064151330.db2.gz IINSLPAKGOOZIF-SLFFLAALSA-N 1 1 456.639 2.716 20 0 JFADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCC[N@H+]2CC)c2ccccc2c1=O ZINC001296084712 1064152322 /nfs/dbraw/zinc/15/23/22/1064152322.db2.gz NZMJYBTWGNOAEL-IBGZPJMESA-N 1 1 494.644 2.510 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085212 1064153267 /nfs/dbraw/zinc/15/32/67/1064153267.db2.gz CYEFFLWUJYQEAY-RBUKOAKNSA-N 1 1 456.591 2.627 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296085287 1064153950 /nfs/dbraw/zinc/15/39/50/1064153950.db2.gz SCPMSUPNPQPHJJ-HXUWFJFHSA-N 1 1 490.674 2.736 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296086394 1064154312 /nfs/dbraw/zinc/15/43/12/1064154312.db2.gz IESKAMCIESRKBV-XUVXKRRUSA-N 1 1 491.681 2.967 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296086389 1064154408 /nfs/dbraw/zinc/15/44/08/1064154408.db2.gz IESKAMCIESRKBV-SLFFLAALSA-N 1 1 491.681 2.967 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087097 1064155466 /nfs/dbraw/zinc/15/54/66/1064155466.db2.gz JQPATBYGEIGQQZ-SESVDKBCSA-N 1 1 490.674 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001296087124 1064156180 /nfs/dbraw/zinc/15/61/80/1064156180.db2.gz JZCURBNNBLVUKC-RDJZCZTQSA-N 1 1 461.554 2.753 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001296087307 1064156216 /nfs/dbraw/zinc/15/62/16/1064156216.db2.gz DTUSPBGVDBVDJY-TZIWHRDSSA-N 1 1 490.674 2.685 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087633 1064156825 /nfs/dbraw/zinc/15/68/25/1064156825.db2.gz MPIXVSFLNBWLFX-NJYVYQBISA-N 1 1 492.665 2.776 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087942 1064157254 /nfs/dbraw/zinc/15/72/54/1064157254.db2.gz PFHADAVJFORATC-UXHICEINSA-N 1 1 478.638 2.688 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088958 1064159534 /nfs/dbraw/zinc/15/95/34/1064159534.db2.gz WVUAHHYXIXTXHX-UNMCSNQZSA-N 1 1 474.675 2.627 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001296089317 1064160140 /nfs/dbraw/zinc/16/01/40/1064160140.db2.gz OBJUNIGOYIXTFE-OSPHWJPCSA-N 1 1 456.591 2.538 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296089361 1064160505 /nfs/dbraw/zinc/16/05/05/1064160505.db2.gz PDCBNSSLRJUCQU-GHTZIAJQSA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 ZINC001296089761 1064161149 /nfs/dbraw/zinc/16/11/49/1064161149.db2.gz ROCBFPDALCIVCL-CYBMUJFWSA-N 1 1 453.410 2.580 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001296092002 1064163582 /nfs/dbraw/zinc/16/35/82/1064163582.db2.gz DVQUVZISISVSTH-HXUWFJFHSA-N 1 1 459.664 2.990 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001296091886 1064163594 /nfs/dbraw/zinc/16/35/94/1064163594.db2.gz DILQDJARJYZSMZ-XPPIMPSXSA-N 1 1 470.666 2.898 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092044 1064163711 /nfs/dbraw/zinc/16/37/11/1064163711.db2.gz FMPGXYIYKRLFHL-YADHBBJMSA-N 1 1 499.660 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296092051 1064164042 /nfs/dbraw/zinc/16/40/42/1064164042.db2.gz FRAJIEWPJNTNAH-FQEVSTJZSA-N 1 1 460.648 2.542 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001296092079 1064164128 /nfs/dbraw/zinc/16/41/28/1064164128.db2.gz GBSWKMFHCAAIDK-RBBKRZOGSA-N 1 1 487.693 2.652 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCC[NH+]1CCOCC1 ZINC001291625014 1064164084 /nfs/dbraw/zinc/16/40/84/1064164084.db2.gz CYVZZKCKESQARA-NRFANRHFSA-N 1 1 497.688 2.891 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296092239 1064164633 /nfs/dbraw/zinc/16/46/33/1064164633.db2.gz HNJCZCNLOLVLFB-QHCPKHFHSA-N 1 1 486.636 2.861 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094712 1064166640 /nfs/dbraw/zinc/16/66/40/1064166640.db2.gz DEVOXJJCTRTLHL-FCHUYYIVSA-N 1 1 467.662 2.799 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296094136 1064166670 /nfs/dbraw/zinc/16/66/70/1064166670.db2.gz UZKBVELKXWYZHD-NRFANRHFSA-N 1 1 474.675 2.784 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094715 1064167063 /nfs/dbraw/zinc/16/70/63/1064167063.db2.gz DEVOXJJCTRTLHL-YADHBBJMSA-N 1 1 467.662 2.799 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095379 1064168679 /nfs/dbraw/zinc/16/86/79/1064168679.db2.gz IMAWYVAWZARIFN-UYAOXDASSA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1cc(C)no1 ZINC001291627584 1064169676 /nfs/dbraw/zinc/16/96/76/1064169676.db2.gz DPQYKLRPQDDFII-ICSRJNTNSA-N 1 1 454.575 2.698 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001296097472 1064170640 /nfs/dbraw/zinc/17/06/40/1064170640.db2.gz VAVAUNAICVKMAH-FQEVSTJZSA-N 1 1 468.646 2.903 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC001296097472 1064170645 /nfs/dbraw/zinc/17/06/45/1064170645.db2.gz VAVAUNAICVKMAH-FQEVSTJZSA-N 1 1 468.646 2.903 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001296097473 1064170670 /nfs/dbraw/zinc/17/06/70/1064170670.db2.gz VAVAUNAICVKMAH-HXUWFJFHSA-N 1 1 468.646 2.903 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC001296097473 1064170678 /nfs/dbraw/zinc/17/06/78/1064170678.db2.gz VAVAUNAICVKMAH-HXUWFJFHSA-N 1 1 468.646 2.903 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001291631517 1064178730 /nfs/dbraw/zinc/17/87/30/1064178730.db2.gz WBUPZAXMFXNHDP-YADHBBJMSA-N 1 1 459.683 2.801 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@@H+](C)C(C)C)CC1=O ZINC001296105285 1064183690 /nfs/dbraw/zinc/18/36/90/1064183690.db2.gz JERTVJFHNFBHJM-UHFFFAOYSA-N 1 1 456.591 2.505 20 0 JFADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC001291634781 1064183757 /nfs/dbraw/zinc/18/37/57/1064183757.db2.gz ITSYMAPJENQDGU-QFIPXVFZSA-N 1 1 453.587 2.707 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291638447 1064185678 /nfs/dbraw/zinc/18/56/78/1064185678.db2.gz MWTKQZLPGAFUNV-NQIIRXRSSA-N 1 1 461.680 2.726 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)C(C)C ZINC001291639049 1064186906 /nfs/dbraw/zinc/18/69/06/1064186906.db2.gz LFXHMJMKPFFHBJ-BDTNDASRSA-N 1 1 450.672 2.694 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641701 1064191386 /nfs/dbraw/zinc/19/13/86/1064191386.db2.gz DLLYULMSZMTXOP-PCCBWWKXSA-N 1 1 457.671 2.548 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001291643328 1064194182 /nfs/dbraw/zinc/19/41/82/1064194182.db2.gz HEGGOLAJDHYPHG-UYAOXDASSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291644989 1064200620 /nfs/dbraw/zinc/20/06/20/1064200620.db2.gz XWICYOYGAKPVJQ-LJQANCHMSA-N 1 1 493.678 2.554 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647840 1064201588 /nfs/dbraw/zinc/20/15/88/1064201588.db2.gz FPGFETYAPPQAAJ-NVXWUHKLSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001291647840 1064201598 /nfs/dbraw/zinc/20/15/98/1064201598.db2.gz FPGFETYAPPQAAJ-NVXWUHKLSA-N 1 1 454.497 2.697 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc[nH]4)n3CCCSC)CC2)CC1 ZINC001296118823 1064202343 /nfs/dbraw/zinc/20/23/43/1064202343.db2.gz KNGBAWCWECXGAU-UHFFFAOYSA-N 1 1 459.664 2.797 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648103 1064202434 /nfs/dbraw/zinc/20/24/34/1064202434.db2.gz GFXVPSFKLQBCHQ-NVXWUHKLSA-N 1 1 454.497 2.697 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001291648103 1064202442 /nfs/dbraw/zinc/20/24/42/1064202442.db2.gz GFXVPSFKLQBCHQ-NVXWUHKLSA-N 1 1 454.497 2.697 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCOC4)n3CCCCSC)CC2)CC1 ZINC001296118953 1064202662 /nfs/dbraw/zinc/20/26/62/1064202662.db2.gz MHZSOCHDLJEBJI-NRFANRHFSA-N 1 1 478.707 2.696 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCc3cc(C)ccc3OC)CC2)CC1 ZINC001296119309 1064204337 /nfs/dbraw/zinc/20/43/37/1064204337.db2.gz REOPFJIKNAHIKF-UHFFFAOYSA-N 1 1 468.646 2.917 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccn4)n3CCCSC)CC2)CC1 ZINC001296119828 1064206357 /nfs/dbraw/zinc/20/63/57/1064206357.db2.gz XXEYVRAHGBQXJB-UHFFFAOYSA-N 1 1 485.702 2.788 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120103 1064207783 /nfs/dbraw/zinc/20/77/83/1064207783.db2.gz DRUFOSKHUNXFPW-MRXNPFEDSA-N 1 1 491.438 2.697 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120080 1064207847 /nfs/dbraw/zinc/20/78/47/1064207847.db2.gz DJRZTKJWUAXVKU-MJGOQNOKSA-N 1 1 464.561 2.798 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120121 1064208220 /nfs/dbraw/zinc/20/82/20/1064208220.db2.gz FEBMFLLGEFBZDT-KRWDZBQOSA-N 1 1 494.482 2.925 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121491 1064212686 /nfs/dbraw/zinc/21/26/86/1064212686.db2.gz PAIKCJQRIRTFAN-GOSISDBHSA-N 1 1 488.587 2.942 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291669989 1064212866 /nfs/dbraw/zinc/21/28/66/1064212866.db2.gz NDIKMFUQZPHRBO-UFYCRDLUSA-N 1 1 474.654 2.902 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001291672385 1064214059 /nfs/dbraw/zinc/21/40/59/1064214059.db2.gz QVHVLUKGDZZUBV-XXBNENTESA-N 1 1 468.646 2.970 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122631 1064215287 /nfs/dbraw/zinc/21/52/87/1064215287.db2.gz YUQXMIZEXVAHIZ-WOJBJXKFSA-N 1 1 463.671 2.873 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123522 1064215641 /nfs/dbraw/zinc/21/56/41/1064215641.db2.gz APPIIWNETRVDIX-NRFANRHFSA-N 1 1 456.635 2.603 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122895 1064215775 /nfs/dbraw/zinc/21/57/75/1064215775.db2.gz ZVXRMMPBXQMZEZ-WOJBJXKFSA-N 1 1 478.645 2.528 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124178 1064216610 /nfs/dbraw/zinc/21/66/10/1064216610.db2.gz FYBDUGVCPZOLGR-IBGZPJMESA-N 1 1 497.585 2.994 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124393 1064217161 /nfs/dbraw/zinc/21/71/61/1064217161.db2.gz HBQMDHJZKXTPSW-INIZCTEOSA-N 1 1 470.540 2.987 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125227 1064218326 /nfs/dbraw/zinc/21/83/26/1064218326.db2.gz LKZUGSXZNLMZQA-UXHICEINSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125225 1064218412 /nfs/dbraw/zinc/21/84/12/1064218412.db2.gz LKZUGSXZNLMZQA-PMACEKPBSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128326 1064222444 /nfs/dbraw/zinc/22/24/44/1064222444.db2.gz YBPCJWQIYHOAEH-IAGOWNOFSA-N 1 1 494.471 2.945 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131251 1064225432 /nfs/dbraw/zinc/22/54/32/1064225432.db2.gz IHONUPRVWOBUHE-KRWDZBQOSA-N 1 1 474.704 2.795 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131838 1064227359 /nfs/dbraw/zinc/22/73/59/1064227359.db2.gz OGOCCRXPUSUIBW-KNKQGSTJSA-N 1 1 461.054 2.755 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296131972 1064227847 /nfs/dbraw/zinc/22/78/47/1064227847.db2.gz NILCJCOGCBNABR-HXUWFJFHSA-N 1 1 464.618 2.715 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132348 1064229730 /nfs/dbraw/zinc/22/97/30/1064229730.db2.gz SMXPGNKXZKPYRG-NBGIEHNGSA-N 1 1 462.683 2.667 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132787 1064231698 /nfs/dbraw/zinc/23/16/98/1064231698.db2.gz RTODUPXOLJHQKH-OXJNMPFZSA-N 1 1 478.016 2.684 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133187 1064232598 /nfs/dbraw/zinc/23/25/98/1064232598.db2.gz GMKVHNFFSKUSHE-KBMIEXCESA-N 1 1 458.626 2.839 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133626 1064234422 /nfs/dbraw/zinc/23/44/22/1064234422.db2.gz JXVJOJNIHMPFQH-RTBURBONSA-N 1 1 489.615 2.902 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001291752358 1064235101 /nfs/dbraw/zinc/23/51/01/1064235101.db2.gz IPLYSZHVJXUKBD-SFHVURJKSA-N 1 1 456.591 2.652 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752385 1064235128 /nfs/dbraw/zinc/23/51/28/1064235128.db2.gz IZIBZXPFZIGMPZ-RBUKOAKNSA-N 1 1 477.654 2.690 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752383 1064235140 /nfs/dbraw/zinc/23/51/40/1064235140.db2.gz IZIBZXPFZIGMPZ-MOPGFXCFSA-N 1 1 477.654 2.690 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134383 1064235624 /nfs/dbraw/zinc/23/56/24/1064235624.db2.gz OJZRVCXDSRZDSC-QUCCMNQESA-N 1 1 499.626 2.542 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296134667 1064236157 /nfs/dbraw/zinc/23/61/57/1064236157.db2.gz ZMTRTGVPNBPYOX-DYESRHJHSA-N 1 1 475.588 2.560 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296134805 1064236775 /nfs/dbraw/zinc/23/67/75/1064236775.db2.gz ZVHJDPSUVJMCOW-KRWDZBQOSA-N 1 1 458.573 2.855 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135132 1064238538 /nfs/dbraw/zinc/23/85/38/1064238538.db2.gz WMBLJYMYDCCQCH-GHTZIAJQSA-N 1 1 457.671 2.651 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001291758804 1064238889 /nfs/dbraw/zinc/23/88/89/1064238889.db2.gz BIZTVQIAFMTQIQ-RKVPGOIHSA-N 1 1 453.429 2.984 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759342 1064239242 /nfs/dbraw/zinc/23/92/42/1064239242.db2.gz FWAGKNQZKVCXDG-DLBZAZTESA-N 1 1 466.627 2.629 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296135273 1064239281 /nfs/dbraw/zinc/23/92/81/1064239281.db2.gz XRVRAJIAARUNKW-QRVBRYPASA-N 1 1 491.731 2.626 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296135463 1064239577 /nfs/dbraw/zinc/23/95/77/1064239577.db2.gz YUWXXSFGKFAOIC-OAQYLSRUSA-N 1 1 496.660 2.951 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291759665 1064239707 /nfs/dbraw/zinc/23/97/07/1064239707.db2.gz HKLMRMIFYQWSDD-ROUUACIJSA-N 1 1 488.633 2.758 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291761288 1064242844 /nfs/dbraw/zinc/24/28/44/1064242844.db2.gz OTHDJHUBMKKFNQ-WBVHZDCISA-N 1 1 450.534 2.979 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001291761983 1064242873 /nfs/dbraw/zinc/24/28/73/1064242873.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 1 1 496.498 2.933 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001291761983 1064242880 /nfs/dbraw/zinc/24/28/80/1064242880.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 1 1 496.498 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296137447 1064243175 /nfs/dbraw/zinc/24/31/75/1064243175.db2.gz OQSLYMODFXXJAF-RTBURBONSA-N 1 1 489.665 2.736 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291763101 1064243781 /nfs/dbraw/zinc/24/37/81/1064243781.db2.gz VXIPUOILHFXKKP-NMMYMHLASA-N 1 1 486.661 2.850 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291763104 1064243859 /nfs/dbraw/zinc/24/38/59/1064243859.db2.gz VXIPUOILHFXKKP-SKPFHBQLSA-N 1 1 486.661 2.850 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291763460 1064244284 /nfs/dbraw/zinc/24/42/84/1064244284.db2.gz XCXMROSIUANGQR-VLIAUNLRSA-N 1 1 466.428 2.728 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291763462 1064244298 /nfs/dbraw/zinc/24/42/98/1064244298.db2.gz XCXMROSIUANGQR-XOBRGWDASA-N 1 1 466.428 2.728 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001291764708 1064245157 /nfs/dbraw/zinc/24/51/57/1064245157.db2.gz FUSSBEYWUMZFBY-IBGZPJMESA-N 1 1 480.617 2.809 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291764005 1064245171 /nfs/dbraw/zinc/24/51/71/1064245171.db2.gz AGBMOSMMNXZRAQ-OSPHWJPCSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296138877 1064245715 /nfs/dbraw/zinc/24/57/15/1064245715.db2.gz YJSKNPWVUOKRSG-OALUTQOASA-N 1 1 477.654 2.548 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765332 1064245794 /nfs/dbraw/zinc/24/57/94/1064245794.db2.gz LAPLMFHGBUMHOD-YADHBBJMSA-N 1 1 497.688 2.817 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001296140989 1064246506 /nfs/dbraw/zinc/24/65/06/1064246506.db2.gz AYPABOKSOKCSLH-RXVVDRJESA-N 1 1 476.588 2.733 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296141183 1064247056 /nfs/dbraw/zinc/24/70/56/1064247056.db2.gz BGSXTTXBSNMFLX-NLFFAJNJSA-N 1 1 473.618 2.937 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 ZINC001291766264 1064247654 /nfs/dbraw/zinc/24/76/54/1064247654.db2.gz UKUAJJCKLTWHDX-QGZVFWFLSA-N 1 1 479.025 2.632 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C2CCC2)C[C@@H]1C ZINC001296141920 1064248081 /nfs/dbraw/zinc/24/80/81/1064248081.db2.gz HAAVMBVJSZDAAY-HNNXBMFYSA-N 1 1 478.439 2.873 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766733 1064248619 /nfs/dbraw/zinc/24/86/19/1064248619.db2.gz GCHGMROBOHHVRN-IBGZPJMESA-N 1 1 462.664 2.844 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)C[C@H]1C ZINC001296142211 1064249046 /nfs/dbraw/zinc/24/90/46/1064249046.db2.gz BYRVPJVGBPVPAV-LJQANCHMSA-N 1 1 450.591 2.654 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250156 /nfs/dbraw/zinc/25/01/56/1064250156.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 1 1 470.662 2.979 20 0 JFADMO CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250165 /nfs/dbraw/zinc/25/01/65/1064250165.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 1 1 470.662 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCCCO)C[C@H]1C ZINC001296143149 1064250484 /nfs/dbraw/zinc/25/04/84/1064250484.db2.gz GBBHYLVMLQQYPG-LJQANCHMSA-N 1 1 460.648 2.793 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001296143273 1064251998 /nfs/dbraw/zinc/25/19/98/1064251998.db2.gz HNBMJXCVWGKFHP-GOSISDBHSA-N 1 1 465.606 2.665 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001296143845 1064252960 /nfs/dbraw/zinc/25/29/60/1064252960.db2.gz SAPWJYXGOBVLBK-KRWDZBQOSA-N 1 1 482.585 2.953 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771233 1064253098 /nfs/dbraw/zinc/25/30/98/1064253098.db2.gz DAGYTRHWMYVFTD-FYYLOGMGSA-N 1 1 495.672 2.631 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296144454 1064253416 /nfs/dbraw/zinc/25/34/16/1064253416.db2.gz VBOVIJSJYYABPC-DFBJGRDBSA-N 1 1 473.618 2.915 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771368 1064253376 /nfs/dbraw/zinc/25/33/76/1064253376.db2.gz DJNASLHEVHCZAO-VXKWHMMOSA-N 1 1 482.677 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001296144547 1064253883 /nfs/dbraw/zinc/25/38/83/1064253883.db2.gz AERKMJPDFHBDIR-UZUQRXQVSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001296144750 1064254009 /nfs/dbraw/zinc/25/40/09/1064254009.db2.gz VLLLSAXOIAXNNC-HNNXBMFYSA-N 1 1 461.412 2.667 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001291771541 1064254737 /nfs/dbraw/zinc/25/47/37/1064254737.db2.gz GRANAJPVGDUGEM-QRVBRYPASA-N 1 1 470.622 2.769 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001296145097 1064255441 /nfs/dbraw/zinc/25/54/41/1064255441.db2.gz CYXDMIMETUHLJD-SFHVURJKSA-N 1 1 462.664 2.712 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 ZINC001291772479 1064255710 /nfs/dbraw/zinc/25/57/10/1064255710.db2.gz OVJNEEILLCOJBM-ROUUACIJSA-N 1 1 463.652 2.584 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255869 /nfs/dbraw/zinc/25/58/69/1064255869.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 1 1 462.683 2.970 20 0 JFADMO CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255874 /nfs/dbraw/zinc/25/58/74/1064255874.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 1 1 462.683 2.970 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCOCC2)C[C@@H]1C ZINC001296146386 1064257422 /nfs/dbraw/zinc/25/74/22/1064257422.db2.gz OSRKZKXRLFKEPX-KRWDZBQOSA-N 1 1 461.010 2.819 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291773116 1064257819 /nfs/dbraw/zinc/25/78/19/1064257819.db2.gz UUNRADUSTWYHFG-RTBURBONSA-N 1 1 450.591 2.563 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291773113 1064257869 /nfs/dbraw/zinc/25/78/69/1064257869.db2.gz UUNRADUSTWYHFG-MOPGFXCFSA-N 1 1 450.591 2.563 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291773394 1064258247 /nfs/dbraw/zinc/25/82/47/1064258247.db2.gz GYOOWOTXEGNVAI-FUHWJXTLSA-N 1 1 476.651 2.609 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001291773466 1064258274 /nfs/dbraw/zinc/25/82/74/1064258274.db2.gz VSNZICOAUPUKPV-QGZVFWFLSA-N 1 1 456.570 2.991 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001291773650 1064259462 /nfs/dbraw/zinc/25/94/62/1064259462.db2.gz ILTGHKZLJCXIGX-VWPQPMDRSA-N 1 1 475.659 2.797 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001296148326 1064259819 /nfs/dbraw/zinc/25/98/19/1064259819.db2.gz VTRCKDVDQBXHEN-RCZSKKKRSA-N 1 1 490.674 2.541 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)C[C@H]1C ZINC001296148465 1064259838 /nfs/dbraw/zinc/25/98/38/1064259838.db2.gz WIUXFZGAVGUFEV-HXOBKFHXSA-N 1 1 461.010 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291773809 1064260664 /nfs/dbraw/zinc/26/06/64/1064260664.db2.gz KGXPCPGCWFWTQI-DLBZAZTESA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291774039 1064261263 /nfs/dbraw/zinc/26/12/63/1064261263.db2.gz XANNOOUQGUHSND-INIZCTEOSA-N 1 1 468.606 2.675 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774094 1064261764 /nfs/dbraw/zinc/26/17/64/1064261764.db2.gz LMHIXGRYFRPGFY-WOJBJXKFSA-N 1 1 454.619 2.536 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001296151326 1064262842 /nfs/dbraw/zinc/26/28/42/1064262842.db2.gz XXLXOKDODZCPNN-OAHLLOKOSA-N 1 1 454.966 2.926 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001291775236 1064264035 /nfs/dbraw/zinc/26/40/35/1064264035.db2.gz VRTSTSQIBBJEDQ-ICSRJNTNSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001291775372 1064264488 /nfs/dbraw/zinc/26/44/88/1064264488.db2.gz WMKOOOQNVMNNDV-UNMCSNQZSA-N 1 1 486.636 2.933 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291775774 1064264907 /nfs/dbraw/zinc/26/49/07/1064264907.db2.gz ZMFWXRLWPVCTQK-NPPFBWRTSA-N 1 1 456.591 2.578 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291776993 1064265340 /nfs/dbraw/zinc/26/53/40/1064265340.db2.gz APSFUSVBUDJHBG-GOTSBHOMSA-N 1 1 496.704 2.517 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001291777036 1064265360 /nfs/dbraw/zinc/26/53/60/1064265360.db2.gz BCUTZQMRJYGDIX-DENIHFKCSA-N 1 1 453.635 2.948 20 0 JFADMO CCN(CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@@H+](CC)[C@H](C)C1)S(C)(=O)=O ZINC001296154603 1064265890 /nfs/dbraw/zinc/26/58/90/1064265890.db2.gz GURFZXFWAOBWEJ-LJQANCHMSA-N 1 1 487.674 2.639 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCCOC(F)F)c2ccccc2c1=O ZINC001296154797 1064265986 /nfs/dbraw/zinc/26/59/86/1064265986.db2.gz KDNNEURIIUZKTH-MRXNPFEDSA-N 1 1 475.544 2.835 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC001296155006 1064266441 /nfs/dbraw/zinc/26/64/41/1064266441.db2.gz MCVIPTAUTQLACX-CRAIPNDOSA-N 1 1 466.508 2.749 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 ZINC001291778963 1064266804 /nfs/dbraw/zinc/26/68/04/1064266804.db2.gz NENMPBZCPGOKPN-LJQANCHMSA-N 1 1 452.582 2.855 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCSC)C[C@@H]1C ZINC001296155622 1064266977 /nfs/dbraw/zinc/26/69/77/1064266977.db2.gz QNLIJCYZYCQKCI-KRWDZBQOSA-N 1 1 465.693 2.912 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291781429 1064268986 /nfs/dbraw/zinc/26/89/86/1064268986.db2.gz ZVXLSCSPPRDHJS-ILZDJORESA-N 1 1 464.010 2.613 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001291781827 1064269452 /nfs/dbraw/zinc/26/94/52/1064269452.db2.gz JEJQLMADWNRLFV-GOSISDBHSA-N 1 1 480.617 2.689 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296157505 1064270701 /nfs/dbraw/zinc/27/07/01/1064270701.db2.gz YJSPLBRSCLVYOI-NLWGTHIKSA-N 1 1 470.622 2.911 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](COC)OC)C[C@H]1C ZINC001296158740 1064272363 /nfs/dbraw/zinc/27/23/63/1064272363.db2.gz IRSSFQBBCHJAPI-UYAOXDASSA-N 1 1 480.654 2.584 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291782547 1064272384 /nfs/dbraw/zinc/27/23/84/1064272384.db2.gz FEUREZIXDDRQSL-VQTJNVASSA-N 1 1 491.681 2.967 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001291782557 1064272543 /nfs/dbraw/zinc/27/25/43/1064272543.db2.gz FKRQZBUCSYKJHI-IBGZPJMESA-N 1 1 484.645 2.753 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001296159504 1064273447 /nfs/dbraw/zinc/27/34/47/1064273447.db2.gz MHGCNPNLWVFYES-FUHWJXTLSA-N 1 1 468.524 2.891 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001296159509 1064273491 /nfs/dbraw/zinc/27/34/91/1064273491.db2.gz MHGCNPNLWVFYES-WMZOPIPTSA-N 1 1 468.524 2.891 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160804 1064274937 /nfs/dbraw/zinc/27/49/37/1064274937.db2.gz PMHJJDXILVICBZ-HSALFYBXSA-N 1 1 463.671 2.873 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)C[C@@H]1C ZINC001296162152 1064275626 /nfs/dbraw/zinc/27/56/26/1064275626.db2.gz SOIADGGAFNAEPD-FPOVZHCZSA-N 1 1 485.633 2.755 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)C[C@H]1C ZINC001296162154 1064275702 /nfs/dbraw/zinc/27/57/02/1064275702.db2.gz SOIADGGAFNAEPD-TZIWHRDSSA-N 1 1 485.633 2.755 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@H]1C ZINC001296162779 1064276235 /nfs/dbraw/zinc/27/62/35/1064276235.db2.gz PJUOYTLLVHQANI-OAQYLSRUSA-N 1 1 456.635 2.520 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCCN2CCOCC2)C[C@H]1C ZINC001296162779 1064276250 /nfs/dbraw/zinc/27/62/50/1064276250.db2.gz PJUOYTLLVHQANI-OAQYLSRUSA-N 1 1 456.635 2.520 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277806 /nfs/dbraw/zinc/27/78/06/1064277806.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 1 1 458.626 2.895 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277813 /nfs/dbraw/zinc/27/78/13/1064277813.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 1 1 458.626 2.895 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784434 1064279490 /nfs/dbraw/zinc/27/94/90/1064279490.db2.gz RASJLXZAPHOVFO-RDPSFJRHSA-N 1 1 475.659 2.911 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001296163746 1064279613 /nfs/dbraw/zinc/27/96/13/1064279613.db2.gz YPEVGENDTHBXOQ-USXNREEHSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001296163746 1064279626 /nfs/dbraw/zinc/27/96/26/1064279626.db2.gz YPEVGENDTHBXOQ-USXNREEHSA-N 1 1 494.706 2.834 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784486 1064279690 /nfs/dbraw/zinc/27/96/90/1064279690.db2.gz RWGOQFTYPHFHDC-CYFREDJKSA-N 1 1 491.658 2.611 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001291785893 1064281794 /nfs/dbraw/zinc/28/17/94/1064281794.db2.gz YDXQOCSNWRGWIJ-DENIHFKCSA-N 1 1 469.638 2.664 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001296164826 1064283373 /nfs/dbraw/zinc/28/33/73/1064283373.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 1 1 459.664 2.674 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001296164826 1064283385 /nfs/dbraw/zinc/28/33/85/1064283385.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C ZINC001291786492 1064283575 /nfs/dbraw/zinc/28/35/75/1064283575.db2.gz SWHVUAKGBSFMRB-NHCUHLMSSA-N 1 1 461.699 2.829 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(Br)cn2)C[C@@H]1C ZINC001296164907 1064284251 /nfs/dbraw/zinc/28/42/51/1064284251.db2.gz FXZTYNKQWDMFNR-SFHVURJKSA-N 1 1 490.454 2.719 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291787343 1064285170 /nfs/dbraw/zinc/28/51/70/1064285170.db2.gz ZVEBCTJZECPIHL-TZIWHRDSSA-N 1 1 454.619 2.883 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788477 1064285207 /nfs/dbraw/zinc/28/52/07/1064285207.db2.gz HVRPJPNBYBFRAM-KBPBESRZSA-N 1 1 455.349 2.673 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788477 1064285218 /nfs/dbraw/zinc/28/52/18/1064285218.db2.gz HVRPJPNBYBFRAM-KBPBESRZSA-N 1 1 455.349 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296165856 1064286143 /nfs/dbraw/zinc/28/61/43/1064286143.db2.gz BHXYVAANFRTOPQ-UPVQGACJSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001296166211 1064286882 /nfs/dbraw/zinc/28/68/82/1064286882.db2.gz NAGLIBDIGQEAIZ-FYSMJZIKSA-N 1 1 486.642 2.918 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166719 1064288612 /nfs/dbraw/zinc/28/86/12/1064288612.db2.gz OYZIHHZOXXBGFL-UXHICEINSA-N 1 1 473.691 2.920 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289845 /nfs/dbraw/zinc/28/98/45/1064289845.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 1 1 459.664 2.532 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289861 /nfs/dbraw/zinc/28/98/61/1064289861.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 1 1 459.664 2.532 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064290018 /nfs/dbraw/zinc/29/00/18/1064290018.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 1 1 459.664 2.532 20 0 JFADMO CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064290028 /nfs/dbraw/zinc/29/00/28/1064290028.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 1 1 459.664 2.532 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296168927 1064292096 /nfs/dbraw/zinc/29/20/96/1064292096.db2.gz YYAIEVYVKUJDFB-QGZVFWFLSA-N 1 1 452.525 2.662 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001296172842 1064294234 /nfs/dbraw/zinc/29/42/34/1064294234.db2.gz ASCRWALQYLYQQZ-OALUTQOASA-N 1 1 477.654 2.795 20 0 JFADMO CCn1cccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1=O ZINC001296173712 1064298025 /nfs/dbraw/zinc/29/80/25/1064298025.db2.gz KOZPBHKOQSPRPK-SFHVURJKSA-N 1 1 454.550 2.757 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296173924 1064299617 /nfs/dbraw/zinc/29/96/17/1064299617.db2.gz MUZKQWVHNPWQQP-NZQKXSOJSA-N 1 1 470.662 2.973 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296174203 1064300492 /nfs/dbraw/zinc/30/04/92/1064300492.db2.gz OJVLUBOLHPVXBZ-IFMALSPDSA-N 1 1 474.625 2.883 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296174171 1064301106 /nfs/dbraw/zinc/30/11/06/1064301106.db2.gz PFCMTIXYJNPTTP-FSENYNONSA-N 1 1 461.582 2.579 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnc2C)C[C@@H]1C ZINC001296174664 1064301930 /nfs/dbraw/zinc/30/19/30/1064301930.db2.gz RIENCBFGKASOHT-IBGZPJMESA-N 1 1 453.591 2.991 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302659 /nfs/dbraw/zinc/30/26/59/1064302659.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 1 1 497.688 2.639 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302675 /nfs/dbraw/zinc/30/26/75/1064302675.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 1 1 497.688 2.639 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291796650 1064305175 /nfs/dbraw/zinc/30/51/75/1064305175.db2.gz LJEDENJXUKPNCD-ICSRJNTNSA-N 1 1 470.618 2.942 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178562 1064305875 /nfs/dbraw/zinc/30/58/75/1064305875.db2.gz AOCDSNANBWXPQW-LJQANCHMSA-N 1 1 461.680 2.734 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001296178734 1064306413 /nfs/dbraw/zinc/30/64/13/1064306413.db2.gz CNLGCBVMUROQER-PIBDYAPNSA-N 1 1 474.625 2.934 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178642 1064306552 /nfs/dbraw/zinc/30/65/52/1064306552.db2.gz BRRPZNYXKYYVEN-NRFANRHFSA-N 1 1 455.651 2.927 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(F)F)C2)CC1 ZINC001296178992 1064307621 /nfs/dbraw/zinc/30/76/21/1064307621.db2.gz CYPYQLNPZQEEAR-LJQANCHMSA-N 1 1 496.628 2.610 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179720 1064309052 /nfs/dbraw/zinc/30/90/52/1064309052.db2.gz HQLNEVYXXWIBFS-DHLKQENFSA-N 1 1 460.667 2.891 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180577 1064312685 /nfs/dbraw/zinc/31/26/85/1064312685.db2.gz NVVAKVDUYBNSBI-SFHVURJKSA-N 1 1 474.053 2.587 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181639 1064316866 /nfs/dbraw/zinc/31/68/66/1064316866.db2.gz AEQMEWKSKVWEFU-PZJWPPBQSA-N 1 1 475.682 2.702 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001296181845 1064318508 /nfs/dbraw/zinc/31/85/08/1064318508.db2.gz FKGLTGWCNGSUJW-QHCPKHFHSA-N 1 1 497.688 2.559 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181937 1064320075 /nfs/dbraw/zinc/32/00/75/1064320075.db2.gz HVKDEAONHHKDSZ-QHCPKHFHSA-N 1 1 497.688 2.918 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181964 1064320464 /nfs/dbraw/zinc/32/04/64/1064320464.db2.gz IJKKPEUIOQMTKM-UPVQGACJSA-N 1 1 481.689 2.992 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001296181958 1064320506 /nfs/dbraw/zinc/32/05/06/1064320506.db2.gz IHTUWAGSAKJNSN-FQEVSTJZSA-N 1 1 471.625 2.563 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291804286 1064321142 /nfs/dbraw/zinc/32/11/42/1064321142.db2.gz PRXAXWQOMQRZBV-SBUREZEXSA-N 1 1 476.025 2.599 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291804288 1064321223 /nfs/dbraw/zinc/32/12/23/1064321223.db2.gz PRXAXWQOMQRZBV-UZUQRXQVSA-N 1 1 476.025 2.599 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296182875 1064324436 /nfs/dbraw/zinc/32/44/36/1064324436.db2.gz AIIMPMJHGQEDPP-GOSISDBHSA-N 1 1 472.041 2.637 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOCC2)CC1 ZINC001296182920 1064325180 /nfs/dbraw/zinc/32/51/80/1064325180.db2.gz AZCVNQDNDCNUCY-SFHVURJKSA-N 1 1 477.451 2.818 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)(C)C)C2)CC1 ZINC001296182996 1064326887 /nfs/dbraw/zinc/32/68/87/1064326887.db2.gz XOCMXJAWRWPOHU-QFIPXVFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183297 1064328322 /nfs/dbraw/zinc/32/83/22/1064328322.db2.gz CVQBMSUEBZMAJA-HXUWFJFHSA-N 1 1 468.650 2.825 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183510 1064328367 /nfs/dbraw/zinc/32/83/67/1064328367.db2.gz DRLXOKLIYLPPQP-JOCHJYFZSA-N 1 1 479.673 2.984 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291809130 1064333699 /nfs/dbraw/zinc/33/36/99/1064333699.db2.gz RVWUNVXCRIOBMO-KRWDZBQOSA-N 1 1 456.639 2.523 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296186681 1064334467 /nfs/dbraw/zinc/33/44/67/1064334467.db2.gz XWYFXPGMHIMNHB-RBBKRZOGSA-N 1 1 486.661 2.851 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291811834 1064338439 /nfs/dbraw/zinc/33/84/39/1064338439.db2.gz NOOBXHRKHCKULC-KOSHJBKYSA-N 1 1 458.582 2.690 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001291812486 1064339032 /nfs/dbraw/zinc/33/90/32/1064339032.db2.gz QHCNJCAODSARGI-IPJJNNNSSA-N 1 1 472.609 2.936 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001291812488 1064339570 /nfs/dbraw/zinc/33/95/70/1064339570.db2.gz QHCNJCAODSARGI-NNMXDRDESA-N 1 1 472.609 2.936 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296190633 1064339601 /nfs/dbraw/zinc/33/96/01/1064339601.db2.gz DEOJPSCWSMRESL-JOCHJYFZSA-N 1 1 487.737 2.979 20 0 JFADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001291812608 1064340281 /nfs/dbraw/zinc/34/02/81/1064340281.db2.gz INLOTAFFLGOWIB-LLVKDONJSA-N 1 1 452.886 2.595 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190843 1064340488 /nfs/dbraw/zinc/34/04/88/1064340488.db2.gz GCDINCBXVIBEAZ-XZOQPEGZSA-N 1 1 454.663 2.952 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnccn2)CC1 ZINC001296191227 1064341143 /nfs/dbraw/zinc/34/11/43/1064341143.db2.gz JCWZQUFCVSWCBD-NRFANRHFSA-N 1 1 462.646 2.877 20 0 JFADMO COc1ccccc1[C@@H](CNC(=O)c1sccc1S(=O)(=O)N(C)C)[NH+]1CCCCC1 ZINC001291814221 1064342821 /nfs/dbraw/zinc/34/28/21/1064342821.db2.gz DSXUCAKANVZUSM-QGZVFWFLSA-N 1 1 451.614 2.964 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001291814999 1064343284 /nfs/dbraw/zinc/34/32/84/1064343284.db2.gz BIQRQUIISQKQCR-WOJBJXKFSA-N 1 1 453.635 2.879 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC001296191805 1064343330 /nfs/dbraw/zinc/34/33/30/1064343330.db2.gz BMEZPOQWTQGWSV-UHFFFAOYSA-N 1 1 474.698 2.547 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192077 1064344034 /nfs/dbraw/zinc/34/40/34/1064344034.db2.gz MAJOFZJVMLHCEJ-WOVHNISZSA-N 1 1 489.709 2.854 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296192108 1064344237 /nfs/dbraw/zinc/34/42/37/1064344237.db2.gz MDKBGJNUNACYHJ-GJZUVCINSA-N 1 1 469.678 2.933 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192181 1064344264 /nfs/dbraw/zinc/34/42/64/1064344264.db2.gz DLRUUYHKLDZNEE-HKUYNNGSSA-N 1 1 458.573 2.977 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193337 1064349397 /nfs/dbraw/zinc/34/93/97/1064349397.db2.gz IIUMOPPVYJWPMP-UGKGYDQZSA-N 1 1 474.723 2.745 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001296193258 1064349652 /nfs/dbraw/zinc/34/96/52/1064349652.db2.gz ORFJHGFJTMQDMX-LJQANCHMSA-N 1 1 455.582 2.906 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296193394 1064351263 /nfs/dbraw/zinc/35/12/63/1064351263.db2.gz IXYQYJCULMWEJQ-OAQYLSRUSA-N 1 1 477.698 2.618 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194084 1064354055 /nfs/dbraw/zinc/35/40/55/1064354055.db2.gz LIDSLLFRDKGZOM-QFIPXVFZSA-N 1 1 467.662 2.523 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296194337 1064354774 /nfs/dbraw/zinc/35/47/74/1064354774.db2.gz RIFHOEZOSIXMOO-LEWJYISDSA-N 1 1 489.709 2.950 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195273 1064359703 /nfs/dbraw/zinc/35/97/03/1064359703.db2.gz NSJHCVARINXYES-OAQYLSRUSA-N 1 1 486.709 2.666 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296195435 1064361892 /nfs/dbraw/zinc/36/18/92/1064361892.db2.gz KKYNLBOMUDNVDG-UHFFFAOYSA-N 1 1 486.665 2.748 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296196561 1064367990 /nfs/dbraw/zinc/36/79/90/1064367990.db2.gz USVKFNBIDZZDQG-CMKODMSKSA-N 1 1 483.583 2.713 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296196606 1064368811 /nfs/dbraw/zinc/36/88/11/1064368811.db2.gz VIMTWWMSTMTGIO-SFHVURJKSA-N 1 1 489.606 2.842 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196992 1064371304 /nfs/dbraw/zinc/37/13/04/1064371304.db2.gz XNKBHIKPUKNKEP-VQTJNVASSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296197062 1064372670 /nfs/dbraw/zinc/37/26/70/1064372670.db2.gz SEUAHEQPJFRGOZ-QFIPXVFZSA-N 1 1 467.662 2.728 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296197061 1064372691 /nfs/dbraw/zinc/37/26/91/1064372691.db2.gz SEUAHEQPJFRGOZ-JOCHJYFZSA-N 1 1 467.662 2.728 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296197076 1064372795 /nfs/dbraw/zinc/37/27/95/1064372795.db2.gz SQAXSBBXIRAVII-OAQYLSRUSA-N 1 1 458.680 2.731 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cn1 ZINC001291825675 1064372965 /nfs/dbraw/zinc/37/29/65/1064372965.db2.gz NZUWWHSKLOUTFA-GOSISDBHSA-N 1 1 453.930 2.773 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001296197428 1064374132 /nfs/dbraw/zinc/37/41/32/1064374132.db2.gz YPDBJQGCNYNKQL-JOCHJYFZSA-N 1 1 457.667 2.724 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296197391 1064374143 /nfs/dbraw/zinc/37/41/43/1064374143.db2.gz XSIQJJZYVQBPLM-XZOQPEGZSA-N 1 1 470.662 2.973 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291826554 1064374978 /nfs/dbraw/zinc/37/49/78/1064374978.db2.gz IRRYNJZLXQBIBF-KBMIEXCESA-N 1 1 488.608 2.602 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296201832 1064375995 /nfs/dbraw/zinc/37/59/95/1064375995.db2.gz BGMHWHMUWSGGET-QFIPXVFZSA-N 1 1 456.635 2.808 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296202169 1064377048 /nfs/dbraw/zinc/37/70/48/1064377048.db2.gz FWDCZJXNHKNCPH-QFIPXVFZSA-N 1 1 472.682 2.561 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296202687 1064378562 /nfs/dbraw/zinc/37/85/62/1064378562.db2.gz HLRVZYXHNYHZAG-NRFANRHFSA-N 1 1 455.651 2.685 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCN(C4=NCC(C)(C)S4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203120 1064380593 /nfs/dbraw/zinc/38/05/93/1064380593.db2.gz IHMOSYKMSBLYFB-UHFFFAOYSA-N 1 1 490.766 2.997 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296203586 1064381984 /nfs/dbraw/zinc/38/19/84/1064381984.db2.gz CDCLNABSDRJSRA-UHFFFAOYSA-N 1 1 457.026 2.996 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296203737 1064382162 /nfs/dbraw/zinc/38/21/62/1064382162.db2.gz OGHPCWHQMXSYTF-XMMPIXPASA-N 1 1 454.623 2.579 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001296203902 1064384150 /nfs/dbraw/zinc/38/41/50/1064384150.db2.gz CZXSCDDNWZEKOF-NHCUHLMSSA-N 1 1 450.697 2.922 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296204045 1064384887 /nfs/dbraw/zinc/38/48/87/1064384887.db2.gz QAIWFNLCBSTMKB-LJQANCHMSA-N 1 1 498.598 2.936 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296204384 1064385510 /nfs/dbraw/zinc/38/55/10/1064385510.db2.gz VAQLTVPAPVGUCJ-HSZRJFAPSA-N 1 1 483.661 2.790 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296204676 1064387190 /nfs/dbraw/zinc/38/71/90/1064387190.db2.gz VDQMBVQOJSUGST-OAQYLSRUSA-N 1 1 457.667 2.830 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296204930 1064387836 /nfs/dbraw/zinc/38/78/36/1064387836.db2.gz NOYJJPMQOXOIRS-HXUWFJFHSA-N 1 1 481.567 2.915 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205080 1064387844 /nfs/dbraw/zinc/38/78/44/1064387844.db2.gz WVPHGVMXIRPWOY-UGKGYDQZSA-N 1 1 471.625 2.983 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001296204775 1064387905 /nfs/dbraw/zinc/38/79/05/1064387905.db2.gz WNPJFLPUAGKXES-QFIPXVFZSA-N 1 1 461.699 2.637 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296204983 1064388523 /nfs/dbraw/zinc/38/85/23/1064388523.db2.gz OYAAIEROFKRRAZ-UHFFFAOYSA-N 1 1 498.676 2.733 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296205216 1064390202 /nfs/dbraw/zinc/39/02/02/1064390202.db2.gz YRVXCWWDULNNDS-OAQYLSRUSA-N 1 1 455.651 2.685 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001291831125 1064391407 /nfs/dbraw/zinc/39/14/07/1064391407.db2.gz ZUMSNZOKKJPXAA-FDFHNCONSA-N 1 1 461.699 2.949 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291832084 1064395189 /nfs/dbraw/zinc/39/51/89/1064395189.db2.gz FVYFXUSGQLWIBW-VXKWHMMOSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296207578 1064397850 /nfs/dbraw/zinc/39/78/50/1064397850.db2.gz YLVRSWXAXLBZRC-NZQKXSOJSA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296207580 1064398742 /nfs/dbraw/zinc/39/87/42/1064398742.db2.gz YLVRSWXAXLBZRC-REWPJTCUSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296211310 1064401881 /nfs/dbraw/zinc/40/18/81/1064401881.db2.gz MKMLIVSJYZAWMO-UHFFFAOYSA-N 1 1 462.589 2.790 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccsc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296212053 1064403682 /nfs/dbraw/zinc/40/36/82/1064403682.db2.gz SRFVTFXHYPXSEK-UHFFFAOYSA-N 1 1 487.718 2.653 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001296212962 1064404497 /nfs/dbraw/zinc/40/44/97/1064404497.db2.gz CSKPMXHKHIKYDV-OAQYLSRUSA-N 1 1 456.639 2.707 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001291833774 1064404995 /nfs/dbraw/zinc/40/49/95/1064404995.db2.gz OUHRZNOBEJOEKR-HXUWFJFHSA-N 1 1 486.064 2.897 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296216565 1064424419 /nfs/dbraw/zinc/42/44/19/1064424419.db2.gz PNIUPMJGVUROGZ-ROUUACIJSA-N 1 1 485.658 2.583 20 0 JFADMO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291839865 1064434993 /nfs/dbraw/zinc/43/49/93/1064434993.db2.gz NTDZUXDZRHLELQ-KCRWFKQWSA-N 1 1 468.646 2.770 20 0 JFADMO Cc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)c(N2CCCC2)[nH+]1 ZINC001296221300 1064440277 /nfs/dbraw/zinc/44/02/77/1064440277.db2.gz DLQUEMCIGHSAAF-PXDATVDWSA-N 1 1 452.555 2.769 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291844006 1064449918 /nfs/dbraw/zinc/44/99/18/1064449918.db2.gz FGJVCDPFHCQJDD-NRFANRHFSA-N 1 1 456.635 2.703 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)C)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291844060 1064450016 /nfs/dbraw/zinc/45/00/16/1064450016.db2.gz FVKPRXGRVLLGSB-NRFANRHFSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(=O)NC(C)C)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291844060 1064450025 /nfs/dbraw/zinc/45/00/25/1064450025.db2.gz FVKPRXGRVLLGSB-NRFANRHFSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CCC(=O)N1)c1ccccc1 ZINC001291847340 1064453996 /nfs/dbraw/zinc/45/39/96/1064453996.db2.gz YQIGVLCKTRWICN-FGZHOGPDSA-N 1 1 468.646 2.893 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001296225387 1064454025 /nfs/dbraw/zinc/45/40/25/1064454025.db2.gz NMRLYUXLXBXSOA-UHFFFAOYSA-N 1 1 484.649 2.644 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291850302 1064455863 /nfs/dbraw/zinc/45/58/63/1064455863.db2.gz FICVPLKIHAGQHB-RZUBCFFCSA-N 1 1 456.635 2.844 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291850302 1064455867 /nfs/dbraw/zinc/45/58/67/1064455867.db2.gz FICVPLKIHAGQHB-RZUBCFFCSA-N 1 1 456.635 2.844 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291851786 1064458175 /nfs/dbraw/zinc/45/81/75/1064458175.db2.gz UYVLVOJDBPBZIU-NRFANRHFSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291851786 1064458181 /nfs/dbraw/zinc/45/81/81/1064458181.db2.gz UYVLVOJDBPBZIU-NRFANRHFSA-N 1 1 456.635 2.892 20 0 JFADMO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296229894 1064464040 /nfs/dbraw/zinc/46/40/40/1064464040.db2.gz DCECILKAANSXGX-CVEARBPZSA-N 1 1 457.687 2.868 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001296230835 1064464990 /nfs/dbraw/zinc/46/49/90/1064464990.db2.gz BWLMEEGECLBIPI-SIKLNZKXSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864428 1064476657 /nfs/dbraw/zinc/47/66/57/1064476657.db2.gz UIRXTGAPRVCONG-XUZZJYLKSA-N 1 1 481.689 2.808 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001291873728 1064488818 /nfs/dbraw/zinc/48/88/18/1064488818.db2.gz AJHYNFPVKBKSMR-ACIOBRDBSA-N 1 1 468.646 2.751 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001296241241 1064494810 /nfs/dbraw/zinc/49/48/10/1064494810.db2.gz FWJJRDZBIWNQLM-OYRHEFFESA-N 1 1 461.699 2.634 20 0 JFADMO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291882636 1064504145 /nfs/dbraw/zinc/50/41/45/1064504145.db2.gz VJOQEDIAGCUMAY-DNQXCXABSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881930 1064504291 /nfs/dbraw/zinc/50/42/91/1064504291.db2.gz ZGYAAYZTYBXINY-GGAORHGYSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881930 1064504304 /nfs/dbraw/zinc/50/43/04/1064504304.db2.gz ZGYAAYZTYBXINY-GGAORHGYSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001291881930 1064504317 /nfs/dbraw/zinc/50/43/17/1064504317.db2.gz ZGYAAYZTYBXINY-GGAORHGYSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889177 1064514203 /nfs/dbraw/zinc/51/42/03/1064514203.db2.gz ZQTANGYXGGDGAK-LADGPHEKSA-N 1 1 497.688 2.982 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001296251746 1064515336 /nfs/dbraw/zinc/51/53/36/1064515336.db2.gz UAKBWLNOVRVYAQ-JSXRDJHFSA-N 1 1 490.693 2.516 20 0 JFADMO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001291890159 1064515427 /nfs/dbraw/zinc/51/54/27/1064515427.db2.gz BACHBDDYNNSDNV-UPVQGACJSA-N 1 1 481.689 2.762 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001291890158 1064515567 /nfs/dbraw/zinc/51/55/67/1064515567.db2.gz BACHBDDYNNSDNV-LADGPHEKSA-N 1 1 481.689 2.762 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892512 1064519140 /nfs/dbraw/zinc/51/91/40/1064519140.db2.gz GCBRNVCUWKSCBB-NQIIRXRSSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892512 1064519153 /nfs/dbraw/zinc/51/91/53/1064519153.db2.gz GCBRNVCUWKSCBB-NQIIRXRSSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892512 1064519168 /nfs/dbraw/zinc/51/91/68/1064519168.db2.gz GCBRNVCUWKSCBB-NQIIRXRSSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892514 1064519663 /nfs/dbraw/zinc/51/96/63/1064519663.db2.gz GCBRNVCUWKSCBB-WIYYLYMNSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892514 1064519678 /nfs/dbraw/zinc/51/96/78/1064519678.db2.gz GCBRNVCUWKSCBB-WIYYLYMNSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892514 1064519687 /nfs/dbraw/zinc/51/96/87/1064519687.db2.gz GCBRNVCUWKSCBB-WIYYLYMNSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC001291895684 1064527322 /nfs/dbraw/zinc/52/73/22/1064527322.db2.gz XNHURTPFGZJJJK-NRFANRHFSA-N 1 1 466.634 2.983 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291895924 1064527674 /nfs/dbraw/zinc/52/76/74/1064527674.db2.gz ZPHPKYWBUKDLLZ-FCHUYYIVSA-N 1 1 454.619 2.599 20 0 JFADMO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001296268661 1064535665 /nfs/dbraw/zinc/53/56/65/1064535665.db2.gz PGUOPFKBRRZJEE-IBGZPJMESA-N 1 1 457.987 2.770 20 0 JFADMO CCNC(=O)C1(Cn2c(COCC)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC001296268928 1064536097 /nfs/dbraw/zinc/53/60/97/1064536097.db2.gz XRHVWCRQLFWDBQ-HXUWFJFHSA-N 1 1 454.619 2.832 20 0 JFADMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)SC ZINC001291930766 1064548510 /nfs/dbraw/zinc/54/85/10/1064548510.db2.gz CADJQAMAMHPLMD-WOJBJXKFSA-N 1 1 478.707 2.837 20 0 JFADMO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001296279769 1064549642 /nfs/dbraw/zinc/54/96/42/1064549642.db2.gz GXWGBSGIDRTBSV-QFIPXVFZSA-N 1 1 459.612 2.602 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279793 1064550134 /nfs/dbraw/zinc/55/01/34/1064550134.db2.gz HJKOTQFNUCEAKS-ZEQRLZLVSA-N 1 1 451.567 2.918 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(C3CC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001296280762 1064551400 /nfs/dbraw/zinc/55/14/00/1064551400.db2.gz VJAMKBOYUJNYNB-UHFFFAOYSA-N 1 1 454.619 2.748 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001296281037 1064551727 /nfs/dbraw/zinc/55/17/27/1064551727.db2.gz IIPLDYVONQMMBX-UHFFFAOYSA-N 1 1 491.640 2.609 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001296281037 1064551735 /nfs/dbraw/zinc/55/17/35/1064551735.db2.gz IIPLDYVONQMMBX-UHFFFAOYSA-N 1 1 491.640 2.609 20 0 JFADMO CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)SC ZINC001291933270 1064552008 /nfs/dbraw/zinc/55/20/08/1064552008.db2.gz GFFJFFHQHOWGPM-OAQYLSRUSA-N 1 1 485.702 2.929 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC001296282922 1064554351 /nfs/dbraw/zinc/55/43/51/1064554351.db2.gz SFYYDZRGEBEHPJ-FQEVSTJZSA-N 1 1 468.646 2.964 20 0 JFADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001291935428 1064554462 /nfs/dbraw/zinc/55/44/62/1064554462.db2.gz IQONPUBYWQRYBU-QHCPKHFHSA-N 1 1 454.531 2.738 20 0 JFADMO CCC(CC)(Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291941614 1064557795 /nfs/dbraw/zinc/55/77/95/1064557795.db2.gz TZFLHEHPEKXMNP-WATLYSKOSA-N 1 1 479.666 2.681 20 0 JFADMO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291946200 1064560371 /nfs/dbraw/zinc/56/03/71/1064560371.db2.gz SPXAHPHLWZALDI-FCEUIQTBSA-N 1 1 453.587 2.566 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001291951857 1064564020 /nfs/dbraw/zinc/56/40/20/1064564020.db2.gz HTUATNALKIIUDT-PKTZIBPZSA-N 1 1 490.693 2.806 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001291952645 1064565703 /nfs/dbraw/zinc/56/57/03/1064565703.db2.gz MUZUYKXVOAZWBE-IFMALSPDSA-N 1 1 476.666 2.514 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291953135 1064566336 /nfs/dbraw/zinc/56/63/36/1064566336.db2.gz OVZSFAXHBUNASJ-FPOVZHCZSA-N 1 1 485.633 2.678 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001296293123 1064568474 /nfs/dbraw/zinc/56/84/74/1064568474.db2.gz GJJCQEMONQKIJM-XMMPIXPASA-N 1 1 495.716 2.689 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(CC)C1)[NH+]1CCOCC1 ZINC001291954965 1064569349 /nfs/dbraw/zinc/56/93/49/1064569349.db2.gz WLXAUXCWCCJTRU-PXDATVDWSA-N 1 1 476.666 2.656 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001296303812 1064583950 /nfs/dbraw/zinc/58/39/50/1064583950.db2.gz YMMICICOSZXVLF-LJQANCHMSA-N 1 1 490.052 2.951 20 0 JFADMO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C(C)C)CC1)N1CCOCC1 ZINC001291972548 1064586972 /nfs/dbraw/zinc/58/69/72/1064586972.db2.gz BQDZTVUAXQSEPB-XMMPIXPASA-N 1 1 486.709 2.807 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001296307103 1064586987 /nfs/dbraw/zinc/58/69/87/1064586987.db2.gz ASCVJRYSRZQKPO-MRXNPFEDSA-N 1 1 496.443 2.824 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296307791 1064588589 /nfs/dbraw/zinc/58/85/89/1064588589.db2.gz ONXRXVCZWLODFQ-LJQANCHMSA-N 1 1 485.633 2.546 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)on1 ZINC001291976716 1064592512 /nfs/dbraw/zinc/59/25/12/1064592512.db2.gz FUJKYJMGEAUJOR-IBGZPJMESA-N 1 1 473.622 2.716 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)on1 ZINC001291976716 1064592523 /nfs/dbraw/zinc/59/25/23/1064592523.db2.gz FUJKYJMGEAUJOR-IBGZPJMESA-N 1 1 473.622 2.716 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001296319844 1064602641 /nfs/dbraw/zinc/60/26/41/1064602641.db2.gz MNAPKLUDNFLLPJ-UHFFFAOYSA-N 1 1 480.617 2.519 20 0 JFADMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)cc2)C1 ZINC001296323493 1064605822 /nfs/dbraw/zinc/60/58/22/1064605822.db2.gz QPIYKXJWBDTZNO-HSALFYBXSA-N 1 1 451.633 2.584 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)s3)cc2)C[C@@H](C)O1 ZINC001291990489 1064606339 /nfs/dbraw/zinc/60/63/39/1064606339.db2.gz NCSQSSNPZKOKME-QZTJIDSGSA-N 1 1 456.612 2.997 20 0 JFADMO Cc1ccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001296324089 1064606782 /nfs/dbraw/zinc/60/67/82/1064606782.db2.gz WEISLJAHSWAYAK-FQEVSTJZSA-N 1 1 459.612 2.704 20 0 JFADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)c2)CCO1 ZINC001291990587 1064607133 /nfs/dbraw/zinc/60/71/33/1064607133.db2.gz JKEWPEJEAJAVDH-AWEZNQCLSA-N 1 1 451.354 2.655 20 0 JFADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)c2)CCO1 ZINC001291990587 1064607137 /nfs/dbraw/zinc/60/71/37/1064607137.db2.gz JKEWPEJEAJAVDH-AWEZNQCLSA-N 1 1 451.354 2.655 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990932 1064607607 /nfs/dbraw/zinc/60/76/07/1064607607.db2.gz OLUJBHQCAOHCNP-FMNCTDSISA-N 1 1 451.567 2.752 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990932 1064607615 /nfs/dbraw/zinc/60/76/15/1064607615.db2.gz OLUJBHQCAOHCNP-FMNCTDSISA-N 1 1 451.567 2.752 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)cc1F ZINC001291991662 1064608306 /nfs/dbraw/zinc/60/83/06/1064608306.db2.gz BIOITFJIHVVABK-UHFFFAOYSA-N 1 1 453.518 2.553 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001296325124 1064614631 /nfs/dbraw/zinc/61/46/31/1064614631.db2.gz SNNYDNLLYVZQLD-FQEVSTJZSA-N 1 1 487.624 2.968 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001292016618 1064650113 /nfs/dbraw/zinc/65/01/13/1064650113.db2.gz HDBMIQKTLBRHMY-YYDVJCTNSA-N 1 1 468.646 2.904 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1cc(F)cc(F)c1 ZINC001292017848 1064651602 /nfs/dbraw/zinc/65/16/02/1064651602.db2.gz MXIXMZFNGSPKIM-JTSKRJEESA-N 1 1 490.599 2.874 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020472 1064659567 /nfs/dbraw/zinc/65/95/67/1064659567.db2.gz HQSKIWUHQLYHIC-QZTJIDSGSA-N 1 1 487.624 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025918 1064678280 /nfs/dbraw/zinc/67/82/80/1064678280.db2.gz XCHZBYUSIMDTRJ-MSOLQXFVSA-N 1 1 491.681 2.982 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030036 1064686082 /nfs/dbraw/zinc/68/60/82/1064686082.db2.gz KKFJPMPWYKEWLK-PKOBYXMFSA-N 1 1 477.654 2.736 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001292040446 1064705183 /nfs/dbraw/zinc/70/51/83/1064705183.db2.gz DYJPHDURKNYAJL-HHHXNRCGSA-N 1 1 495.672 2.607 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCc1csc(C)n1 ZINC001292040726 1064705605 /nfs/dbraw/zinc/70/56/05/1064705605.db2.gz HKBGSDYUUMYSHV-QHCPKHFHSA-N 1 1 475.663 2.505 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001292041103 1064706006 /nfs/dbraw/zinc/70/60/06/1064706006.db2.gz JPANPYQEIDBLFL-AJTFRIOCSA-N 1 1 495.672 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001292041104 1064706062 /nfs/dbraw/zinc/70/60/62/1064706062.db2.gz JPANPYQEIDBLFL-AMGIVPHBSA-N 1 1 495.672 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(C)cc1OC ZINC001292041686 1064706914 /nfs/dbraw/zinc/70/69/14/1064706914.db2.gz OHARNIVYSXPLGW-SANMLTNESA-N 1 1 484.645 2.863 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001292042607 1064708036 /nfs/dbraw/zinc/70/80/36/1064708036.db2.gz UJQCHIVIRNZAHO-BSRJHKFKSA-N 1 1 450.603 2.636 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001292047102 1064712282 /nfs/dbraw/zinc/71/22/82/1064712282.db2.gz ZRYCSDLRUCQCMO-LJQANCHMSA-N 1 1 454.619 2.923 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001292051362 1064716261 /nfs/dbraw/zinc/71/62/61/1064716261.db2.gz XGBVOKLEYARVPM-UQBPGWFLSA-N 1 1 454.619 2.565 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CCCO1 ZINC001292055032 1064723230 /nfs/dbraw/zinc/72/32/30/1064723230.db2.gz FFGFIFNDIGWZIH-JQVVWYNYSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC1(SC)CCC1 ZINC001292056281 1064726401 /nfs/dbraw/zinc/72/64/01/1064726401.db2.gz ZEBPXJKCIPRDLI-GOSISDBHSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001292062995 1064735207 /nfs/dbraw/zinc/73/52/07/1064735207.db2.gz KGMBYSSXSOKXCK-MJGOQNOKSA-N 1 1 489.665 2.784 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292063271 1064736355 /nfs/dbraw/zinc/73/63/55/1064736355.db2.gz QAZYDDIHZPIUKY-IBGZPJMESA-N 1 1 475.638 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)ccc3C2)n1CCC[NH+]1CCOCC1 ZINC001292074341 1064754216 /nfs/dbraw/zinc/75/42/16/1064754216.db2.gz FIPPJFFADZETRA-UHFFFAOYSA-N 1 1 458.582 2.621 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CC[NH+]1CCSCC1 ZINC001292075618 1064755934 /nfs/dbraw/zinc/75/59/34/1064755934.db2.gz PMDUEWYJYXMCRZ-UHFFFAOYSA-N 1 1 460.623 2.947 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292076183 1064756770 /nfs/dbraw/zinc/75/67/70/1064756770.db2.gz LWKYKLNSGIDEFP-HHJKRLRDSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292076183 1064756782 /nfs/dbraw/zinc/75/67/82/1064756782.db2.gz LWKYKLNSGIDEFP-HHJKRLRDSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078155 1064760965 /nfs/dbraw/zinc/76/09/65/1064760965.db2.gz CMEQTIBBSVBKLT-WIYYLYMNSA-N 1 1 487.693 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292084886 1064766558 /nfs/dbraw/zinc/76/65/58/1064766558.db2.gz JPEDMOKZLCACFJ-KNQAVFIVSA-N 1 1 495.672 2.606 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292086104 1064768680 /nfs/dbraw/zinc/76/86/80/1064768680.db2.gz QFYYEKOSHKCGIQ-QGZVFWFLSA-N 1 1 469.625 2.704 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292086783 1064770100 /nfs/dbraw/zinc/77/01/00/1064770100.db2.gz WJYGZNHVFYVKRX-SJORKVTESA-N 1 1 474.572 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292086781 1064770169 /nfs/dbraw/zinc/77/01/69/1064770169.db2.gz WJYGZNHVFYVKRX-IAGOWNOFSA-N 1 1 474.572 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292094235 1064783740 /nfs/dbraw/zinc/78/37/40/1064783740.db2.gz IXDKYHJOAGIRSE-QZTJIDSGSA-N 1 1 458.611 2.614 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292094958 1064785961 /nfs/dbraw/zinc/78/59/61/1064785961.db2.gz RNDRPJHKISZUJJ-SJLPKXTDSA-N 1 1 458.611 2.756 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292094956 1064786075 /nfs/dbraw/zinc/78/60/75/1064786075.db2.gz RNDRPJHKISZUJJ-AEFFLSMTSA-N 1 1 458.611 2.756 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292097507 1064788435 /nfs/dbraw/zinc/78/84/35/1064788435.db2.gz RVVJDVHDAOZEND-FGZHOGPDSA-N 1 1 486.665 2.628 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292097514 1064788850 /nfs/dbraw/zinc/78/88/50/1064788850.db2.gz RVVJDVHDAOZEND-YADHBBJMSA-N 1 1 486.665 2.628 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292099325 1064789570 /nfs/dbraw/zinc/78/95/70/1064789570.db2.gz AVYPNRWMJJUETF-ZWKOTPCHSA-N 1 1 469.594 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292102200 1064792991 /nfs/dbraw/zinc/79/29/91/1064792991.db2.gz UXILMLWWMHSCBI-RTBURBONSA-N 1 1 457.623 2.909 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cc(C)nn1C ZINC001292104025 1064795783 /nfs/dbraw/zinc/79/57/83/1064795783.db2.gz CAYUYBDCCHZZRY-UHFFFAOYSA-N 1 1 456.639 2.741 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292105505 1064799245 /nfs/dbraw/zinc/79/92/45/1064799245.db2.gz MAANNLFOJKFPDM-HXUWFJFHSA-N 1 1 486.640 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292109745 1064808281 /nfs/dbraw/zinc/80/82/81/1064808281.db2.gz KYESCMUVDSINBC-GMAHTHKFSA-N 1 1 495.672 2.735 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292110530 1064814318 /nfs/dbraw/zinc/81/43/18/1064814318.db2.gz JWXZVGWFBLBECD-JOCHJYFZSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCOC(C)(C)C ZINC001292110923 1064818018 /nfs/dbraw/zinc/81/80/18/1064818018.db2.gz YDKIRKVZTZYMJD-LJQANCHMSA-N 1 1 464.655 2.560 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@H]1COCCO1 ZINC001292114540 1064829495 /nfs/dbraw/zinc/82/94/95/1064829495.db2.gz BUEWDIJXIJOTMI-XLIONFOSSA-N 1 1 476.647 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292114736 1064830005 /nfs/dbraw/zinc/83/00/05/1064830005.db2.gz HTUWXWGPGHRHOS-OTWHNJEPSA-N 1 1 475.682 2.620 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001292115897 1064835076 /nfs/dbraw/zinc/83/50/76/1064835076.db2.gz NDKHNVLYXJPGAU-NRFANRHFSA-N 1 1 468.650 2.793 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001292122568 1064858285 /nfs/dbraw/zinc/85/82/85/1064858285.db2.gz UGYSCHFOXZORMA-QFIPXVFZSA-N 1 1 497.692 2.886 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(F)(F)F ZINC001292125739 1064871056 /nfs/dbraw/zinc/87/10/56/1064871056.db2.gz FLXQKHJAXVDNCG-CALCHBBNSA-N 1 1 473.588 2.754 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292125757 1064871158 /nfs/dbraw/zinc/87/11/58/1064871158.db2.gz LMLNPHWUIHSJQT-UXHICEINSA-N 1 1 475.682 2.622 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ncccc1C ZINC001292125883 1064872352 /nfs/dbraw/zinc/87/23/52/1064872352.db2.gz MOPANPDMXLRRKK-IBGZPJMESA-N 1 1 469.634 2.638 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001292126199 1064874499 /nfs/dbraw/zinc/87/44/99/1064874499.db2.gz YRVTVWFZTLVZBX-QHCPKHFHSA-N 1 1 495.603 2.635 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1ccc(C)s1 ZINC001292126889 1064878473 /nfs/dbraw/zinc/87/84/73/1064878473.db2.gz RKHBJZZQGOMQQM-IBGZPJMESA-N 1 1 460.648 2.916 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1C[C@H]1CCCc2cccnc21 ZINC001292127047 1064879416 /nfs/dbraw/zinc/87/94/16/1064879416.db2.gz UIDJIKZVGGKEDR-PZJWPPBQSA-N 1 1 483.661 2.869 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCCn1cc[nH+]c1C ZINC001292126988 1064879453 /nfs/dbraw/zinc/87/94/53/1064879453.db2.gz WJYLDUWNPQUWFK-UHFFFAOYSA-N 1 1 484.649 2.773 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC(=O)Nc1ccccc1 ZINC001292134036 1064890663 /nfs/dbraw/zinc/89/06/63/1064890663.db2.gz OOMFTNZMEWIZQF-NRFANRHFSA-N 1 1 467.618 2.900 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001292134119 1064892043 /nfs/dbraw/zinc/89/20/43/1064892043.db2.gz OFWAXWXRHSSBOC-PMACEKPBSA-N 1 1 485.633 2.732 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCSc1ccccc1 ZINC001292134449 1064894111 /nfs/dbraw/zinc/89/41/11/1064894111.db2.gz VJXADRZQYGHJJX-LJQANCHMSA-N 1 1 458.632 2.510 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCSc1ccccc1 ZINC001292134449 1064894126 /nfs/dbraw/zinc/89/41/26/1064894126.db2.gz VJXADRZQYGHJJX-LJQANCHMSA-N 1 1 458.632 2.510 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292134695 1064895357 /nfs/dbraw/zinc/89/53/57/1064895357.db2.gz VBPYQBBRHNXHCA-WSTZPKSXSA-N 1 1 489.665 2.594 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1c(C)cc(C)cc1C ZINC001292134903 1064897366 /nfs/dbraw/zinc/89/73/66/1064897366.db2.gz YFRSXETUTURJEO-OAQYLSRUSA-N 1 1 454.619 2.691 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1c(C)cc(C)cc1C ZINC001292134903 1064897383 /nfs/dbraw/zinc/89/73/83/1064897383.db2.gz YFRSXETUTURJEO-OAQYLSRUSA-N 1 1 454.619 2.691 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292136232 1064903552 /nfs/dbraw/zinc/90/35/52/1064903552.db2.gz QWXHFQJMOMIOQR-JIPXPUAJSA-N 1 1 498.672 2.917 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292144951 1064917733 /nfs/dbraw/zinc/91/77/33/1064917733.db2.gz RHLTWWXFIBYKPR-IEBWSBKVSA-N 1 1 488.637 2.623 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292144953 1064917773 /nfs/dbraw/zinc/91/77/73/1064917773.db2.gz RHLTWWXFIBYKPR-MJGOQNOKSA-N 1 1 488.637 2.623 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292146551 1064924186 /nfs/dbraw/zinc/92/41/86/1064924186.db2.gz CWYZXKLFMLDEJF-IBGZPJMESA-N 1 1 465.712 2.554 20 0 JFADMO CCC(CC)NC(=O)c1nnc(Nc2cnn(C)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001292154623 1064935672 /nfs/dbraw/zinc/93/56/72/1064935672.db2.gz IIXDWXGCXRWCPF-UHFFFAOYSA-N 1 1 458.611 2.709 20 0 JFADMO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)C1(C)C ZINC001292156129 1064937562 /nfs/dbraw/zinc/93/75/62/1064937562.db2.gz SPTJSRMTVXMTOC-IECBHUPTSA-N 1 1 453.624 2.798 20 0 JFADMO O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001292156931 1064938276 /nfs/dbraw/zinc/93/82/76/1064938276.db2.gz WLHPLECQGDZVQE-FQEVSTJZSA-N 1 1 459.974 2.908 20 0 JFADMO O=C([C@@H]1CCCN1c1ncnc2ccccc21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001292166979 1064954808 /nfs/dbraw/zinc/95/48/08/1064954808.db2.gz CGDFETDDVPRKLT-IBGZPJMESA-N 1 1 451.493 2.712 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292176172 1064966368 /nfs/dbraw/zinc/96/63/68/1064966368.db2.gz WZGAUOSBLHQBCI-WAOWUJCRSA-N 1 1 460.648 2.714 20 0 JFADMO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001292232063 1065018753 /nfs/dbraw/zinc/01/87/53/1065018753.db2.gz YFPQQPFQLVQTNB-XMMPIXPASA-N 1 1 495.716 2.914 20 0 JFADMO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OC ZINC001292249752 1065033156 /nfs/dbraw/zinc/03/31/56/1065033156.db2.gz YWFGGMQBPNGFRV-HSZRJFAPSA-N 1 1 472.682 2.560 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292261276 1065040623 /nfs/dbraw/zinc/04/06/23/1065040623.db2.gz HXEVNZVZPMTZCT-ACRUOGEOSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001292261279 1065041038 /nfs/dbraw/zinc/04/10/38/1065041038.db2.gz HXEVNZVZPMTZCT-NJYVYQBISA-N 1 1 492.665 2.934 20 0 JFADMO CCC(O)(CC)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001292267959 1065047785 /nfs/dbraw/zinc/04/77/85/1065047785.db2.gz OXTDBGJUBUQQFT-UHFFFAOYSA-N 1 1 493.612 2.807 20 0 JFADMO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001292271649 1065048910 /nfs/dbraw/zinc/04/89/10/1065048910.db2.gz GEXDNRIIHPQTRR-HKUYNNGSSA-N 1 1 461.632 2.573 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292275707 1065052418 /nfs/dbraw/zinc/05/24/18/1065052418.db2.gz UYTKTIFDKPHVCZ-NRFANRHFSA-N 1 1 474.650 2.629 20 0 JFADMO CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001292289239 1065061261 /nfs/dbraw/zinc/06/12/61/1065061261.db2.gz KUSJYMHZHJDLCC-UNMCSNQZSA-N 1 1 457.619 2.608 20 0 JFADMO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001292289762 1065061635 /nfs/dbraw/zinc/06/16/35/1065061635.db2.gz OLBRBRKYTWNIKT-DHLKQENFSA-N 1 1 496.700 2.993 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001292300421 1065071740 /nfs/dbraw/zinc/07/17/40/1065071740.db2.gz NKOAUXWZNKSLAA-SFGWALBWSA-N 1 1 496.703 2.620 20 0 JFADMO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339562 1065090649 /nfs/dbraw/zinc/09/06/49/1065090649.db2.gz MLZFEPOYTXZVAT-BWKNWUBXSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001292339563 1065090708 /nfs/dbraw/zinc/09/07/08/1065090708.db2.gz MLZFEPOYTXZVAT-OFVILXPXSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001292344849 1065092921 /nfs/dbraw/zinc/09/29/21/1065092921.db2.gz BNGPUPRRZGFFIC-DKZVUGQWSA-N 1 1 499.081 2.850 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292352899 1065097323 /nfs/dbraw/zinc/09/73/23/1065097323.db2.gz HCYILSWYDNMRTC-NTKDMRAZSA-N 1 1 490.052 2.942 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353534 1065097989 /nfs/dbraw/zinc/09/79/89/1065097989.db2.gz KUSCOEAYVPSCEF-NTKDMRAZSA-N 1 1 458.607 2.795 20 0 JFADMO CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001292364699 1065105672 /nfs/dbraw/zinc/10/56/72/1065105672.db2.gz LTJLTDYMRMPMJJ-NZQKXSOJSA-N 1 1 462.664 2.876 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001292365676 1065107081 /nfs/dbraw/zinc/10/70/81/1065107081.db2.gz RPLLUSZEPHIIRC-VWLOTQADSA-N 1 1 457.619 2.994 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001292365676 1065107084 /nfs/dbraw/zinc/10/70/84/1065107084.db2.gz RPLLUSZEPHIIRC-VWLOTQADSA-N 1 1 457.619 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001292380799 1065125176 /nfs/dbraw/zinc/12/51/76/1065125176.db2.gz ZYXZFDQPGBMVKW-RUZDIDTESA-N 1 1 473.618 2.982 20 0 JFADMO CC[C@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001292380799 1065125180 /nfs/dbraw/zinc/12/51/80/1065125180.db2.gz ZYXZFDQPGBMVKW-RUZDIDTESA-N 1 1 473.618 2.982 20 0 JFADMO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)CCOCC1 ZINC001292415277 1065149193 /nfs/dbraw/zinc/14/91/93/1065149193.db2.gz XMVNYINKRMDCOU-IBGZPJMESA-N 1 1 482.695 2.550 20 0 JFADMO CCc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292458440 1065181594 /nfs/dbraw/zinc/18/15/94/1065181594.db2.gz OUFUGNCWNAMPQP-FGZHOGPDSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292478650 1065202755 /nfs/dbraw/zinc/20/27/55/1065202755.db2.gz IHGLQABMMOPCJI-UXHICEINSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292486293 1065207874 /nfs/dbraw/zinc/20/78/74/1065207874.db2.gz YHTWRLGHSKFPDO-CCLHPLFOSA-N 1 1 482.673 2.951 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292486296 1065207897 /nfs/dbraw/zinc/20/78/97/1065207897.db2.gz YHTWRLGHSKFPDO-NFQMXDRXSA-N 1 1 482.673 2.951 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292496333 1065214606 /nfs/dbraw/zinc/21/46/06/1065214606.db2.gz HPGYXBSBMVTDBZ-LJQANCHMSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001292512237 1065229682 /nfs/dbraw/zinc/22/96/82/1065229682.db2.gz FMVPYIDDYDNQHC-UHFFFAOYSA-N 1 1 481.689 2.984 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)cc1 ZINC001292512553 1065230697 /nfs/dbraw/zinc/23/06/97/1065230697.db2.gz PTFZZBLILUNOMJ-UHFFFAOYSA-N 1 1 495.672 2.555 20 0 JFADMO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001292512972 1065231733 /nfs/dbraw/zinc/23/17/33/1065231733.db2.gz YWXBLSAGIYDASM-QHCPKHFHSA-N 1 1 495.672 2.509 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(CC)CC)CC3)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292517860 1065239919 /nfs/dbraw/zinc/23/99/19/1065239919.db2.gz JNQWLUXCVQGMHT-DEOSSOPVSA-N 1 1 481.689 2.982 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2CCC2(O)CCOCC2)cc1 ZINC001292520407 1065245022 /nfs/dbraw/zinc/24/50/22/1065245022.db2.gz INYCJIYXEVQEAZ-QHCPKHFHSA-N 1 1 471.646 2.986 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520803 1065246321 /nfs/dbraw/zinc/24/63/21/1065246321.db2.gz UPWCYVIBHREUNG-SQHAQQRYSA-N 1 1 484.689 2.900 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520800 1065246385 /nfs/dbraw/zinc/24/63/85/1065246385.db2.gz UPWCYVIBHREUNG-IGKIAQTJSA-N 1 1 484.689 2.900 20 0 JFADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521201 1065247330 /nfs/dbraw/zinc/24/73/30/1065247330.db2.gz DATZZWVYAVLTBJ-OAHLLOKOSA-N 1 1 459.182 2.766 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292575444 1065284892 /nfs/dbraw/zinc/28/48/92/1065284892.db2.gz AMPQOFXIWLUIKE-GOSISDBHSA-N 1 1 478.601 2.513 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccnc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001292576246 1065286996 /nfs/dbraw/zinc/28/69/96/1065286996.db2.gz WMRJUBYGZYGKGB-LJQANCHMSA-N 1 1 463.586 2.698 20 0 JFADMO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001292579955 1065296414 /nfs/dbraw/zinc/29/64/14/1065296414.db2.gz YLQSJASAGGHFAW-UHFFFAOYSA-N 1 1 497.688 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292580770 1065297323 /nfs/dbraw/zinc/29/73/23/1065297323.db2.gz QIJIAHZFVQWYCD-UXHICEINSA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@H](COC)C2)n1CCn1cc[nH+]c1C ZINC001292588711 1065304048 /nfs/dbraw/zinc/30/40/48/1065304048.db2.gz AJXCOHHLSBTFJA-NQIIRXRSSA-N 1 1 454.575 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CCn1cc[nH+]c1C ZINC001292588713 1065304091 /nfs/dbraw/zinc/30/40/91/1065304091.db2.gz AJXCOHHLSBTFJA-WIYYLYMNSA-N 1 1 454.575 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292589137 1065304650 /nfs/dbraw/zinc/30/46/50/1065304650.db2.gz HYTCXLKWHVCUKJ-XJUOHMSHSA-N 1 1 498.672 2.976 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292589227 1065305291 /nfs/dbraw/zinc/30/52/91/1065305291.db2.gz JMFPVPAJJXEZAO-IFMALSPDSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292589227 1065305300 /nfs/dbraw/zinc/30/53/00/1065305300.db2.gz JMFPVPAJJXEZAO-IFMALSPDSA-N 1 1 487.645 2.770 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590800 1065308565 /nfs/dbraw/zinc/30/85/65/1065308565.db2.gz VXMGZXDVRATRON-ICSRJNTNSA-N 1 1 454.619 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC(C)(C)O ZINC001292592239 1065311191 /nfs/dbraw/zinc/31/11/91/1065311191.db2.gz WBEZADJBTPMMFW-PZJWPPBQSA-N 1 1 457.619 2.737 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001292593508 1065313744 /nfs/dbraw/zinc/31/37/44/1065313744.db2.gz NUFCVWWOLXQKLI-OAQYLSRUSA-N 1 1 454.619 2.996 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@@H+](C)C(C)C ZINC001292600661 1065322219 /nfs/dbraw/zinc/32/22/19/1065322219.db2.gz JLMCCIDQZGPVJQ-UHFFFAOYSA-N 1 1 463.648 2.773 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@@H+](C)C(C)C ZINC001292601425 1065324831 /nfs/dbraw/zinc/32/48/31/1065324831.db2.gz YCESDZXYROWNMP-UHFFFAOYSA-N 1 1 456.591 2.839 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292605450 1065331023 /nfs/dbraw/zinc/33/10/23/1065331023.db2.gz JBIXUZOISSDIFR-HSZRJFAPSA-N 1 1 497.688 2.550 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001292614252 1065343186 /nfs/dbraw/zinc/34/31/86/1065343186.db2.gz FXPOOPOJOPZEJJ-HSZRJFAPSA-N 1 1 484.645 2.635 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCN1CCSCC1 ZINC001292615661 1065348486 /nfs/dbraw/zinc/34/84/86/1065348486.db2.gz QFAUQYVHCIVOOM-HXUWFJFHSA-N 1 1 458.676 2.999 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCN1CCSCC1 ZINC001292615661 1065348496 /nfs/dbraw/zinc/34/84/96/1065348496.db2.gz QFAUQYVHCIVOOM-HXUWFJFHSA-N 1 1 458.676 2.999 20 0 JFADMO CCc1cnc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC001292638587 1065374592 /nfs/dbraw/zinc/37/45/92/1065374592.db2.gz IFIIKPSHEWTWQI-FQEVSTJZSA-N 1 1 482.658 2.938 20 0 JFADMO Cn1cc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(Cl)s2)n1 ZINC001292660388 1065396589 /nfs/dbraw/zinc/39/65/89/1065396589.db2.gz HTRAVJCKEJQSPW-UHFFFAOYSA-N 1 1 457.987 2.876 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)CC1 ZINC001292660890 1065397854 /nfs/dbraw/zinc/39/78/54/1065397854.db2.gz OIDCOHOTJIFNPF-IYBDPMFKSA-N 1 1 453.509 2.935 20 0 JFADMO CCc1nc(C)c(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCOC(C)C)CC2)o1 ZINC001292690511 1065436754 /nfs/dbraw/zinc/43/67/54/1065436754.db2.gz GGLHSRZJACXXNK-UHFFFAOYSA-N 1 1 453.591 2.718 20 0 JFADMO CCc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)o1 ZINC001292690314 1065436804 /nfs/dbraw/zinc/43/68/04/1065436804.db2.gz CKCQJHUZCBPUGI-HXUWFJFHSA-N 1 1 453.591 2.718 20 0 JFADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)no1 ZINC001292696568 1065446588 /nfs/dbraw/zinc/44/65/88/1065446588.db2.gz SJDSZNUDMOPBTL-OALUTQOASA-N 1 1 472.638 2.695 20 0 JFADMO CCc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cs1 ZINC001292696728 1065447108 /nfs/dbraw/zinc/44/71/08/1065447108.db2.gz ZLRLBMPBVLPHNB-NRFANRHFSA-N 1 1 475.707 2.894 20 0 JFADMO Cn1ncc(Br)c1C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001292706031 1065461676 /nfs/dbraw/zinc/46/16/76/1065461676.db2.gz JWSCICCQQHHQEF-UHFFFAOYSA-N 1 1 451.365 2.602 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292720644 1065481607 /nfs/dbraw/zinc/48/16/07/1065481607.db2.gz LHUYXQCTFMTDLF-IRXDYDNUSA-N 1 1 483.708 2.664 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001292777054 1065536356 /nfs/dbraw/zinc/53/63/56/1065536356.db2.gz DBJLMAJXQZYEIG-UHFFFAOYSA-N 1 1 461.655 2.767 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892229 1065589794 /nfs/dbraw/zinc/58/97/94/1065589794.db2.gz BDFUZNJFXMCPNR-HYBUGGRVSA-N 1 1 498.672 2.869 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001292893187 1065593034 /nfs/dbraw/zinc/59/30/34/1065593034.db2.gz LULHIZPFCHAJQP-UZLBHIALSA-N 1 1 461.010 2.540 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893222 1065593232 /nfs/dbraw/zinc/59/32/32/1065593232.db2.gz MKZGMOZFCNPVTQ-YYDVJCTNSA-N 1 1 472.609 2.826 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001292893420 1065594180 /nfs/dbraw/zinc/59/41/80/1065594180.db2.gz NRQHIUQHEDEDEA-VQIMIIECSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894285 1065595371 /nfs/dbraw/zinc/59/53/71/1065595371.db2.gz WKOSWDMQBIPXEG-LAUBAEHRSA-N 1 1 493.578 2.876 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909397 1065599615 /nfs/dbraw/zinc/59/96/15/1065599615.db2.gz VNWSDFWJYVRKNC-UYAOXDASSA-N 1 1 450.539 2.849 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909394 1065599677 /nfs/dbraw/zinc/59/96/77/1065599677.db2.gz VNWSDFWJYVRKNC-ICSRJNTNSA-N 1 1 450.539 2.849 20 0 JFADMO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292911810 1065602061 /nfs/dbraw/zinc/60/20/61/1065602061.db2.gz MKKZYISGMWHTDC-ZIFCJYIRSA-N 1 1 473.618 2.799 20 0 JFADMO CN(C(=O)C1(Sc2ccccc2)CCCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292912794 1065603481 /nfs/dbraw/zinc/60/34/81/1065603481.db2.gz RPZMRCPLDONRMM-UHFFFAOYSA-N 1 1 458.672 2.788 20 0 JFADMO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292920882 1065606605 /nfs/dbraw/zinc/60/66/05/1065606605.db2.gz QKQATHSLNYRVMV-ZJVMWOEPSA-N 1 1 456.631 2.574 20 0 JFADMO CCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(OC)c(Br)c1 ZINC001292932387 1065621650 /nfs/dbraw/zinc/62/16/50/1065621650.db2.gz HAPVYPBZAMUOMV-OAQYLSRUSA-N 1 1 464.408 2.961 20 0 JFADMO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292932786 1065622566 /nfs/dbraw/zinc/62/25/66/1065622566.db2.gz MKXBNZRFVZKFLD-UHFFFAOYSA-N 1 1 450.628 2.835 20 0 JFADMO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001292932786 1065622576 /nfs/dbraw/zinc/62/25/76/1065622576.db2.gz MKXBNZRFVZKFLD-UHFFFAOYSA-N 1 1 450.628 2.835 20 0 JFADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC001292932939 1065622590 /nfs/dbraw/zinc/62/25/90/1065622590.db2.gz IKXWWDYZPGSVLH-QGZVFWFLSA-N 1 1 458.360 2.976 20 0 JFADMO CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292932624 1065622678 /nfs/dbraw/zinc/62/26/78/1065622678.db2.gz WXSJATYMLIRJMU-AABGKKOBSA-N 1 1 491.681 2.523 20 0 JFADMO CCc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001292933738 1065623165 /nfs/dbraw/zinc/62/31/65/1065623165.db2.gz XPLFRJPWPSUZQK-JPYJTQIMSA-N 1 1 450.628 2.787 20 0 JFADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc4c([nH]c3=O)CCC[C@H]4O)CC2)c1C ZINC001292933941 1065623917 /nfs/dbraw/zinc/62/39/17/1065623917.db2.gz QFDFLBVWHUJYMU-JOCHJYFZSA-N 1 1 454.571 2.914 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001292951618 1065631356 /nfs/dbraw/zinc/63/13/56/1065631356.db2.gz JZJOMFSAKHJXKO-OFVILXPXSA-N 1 1 460.667 2.959 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1ccc(OC)cc1 ZINC001292952734 1065632777 /nfs/dbraw/zinc/63/27/77/1065632777.db2.gz VUFVQMHLHOTSNL-UHFFFAOYSA-N 1 1 454.619 2.668 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCc1scnc1C ZINC001292952184 1065632891 /nfs/dbraw/zinc/63/28/91/1065632891.db2.gz PZAZQEYKOZLSBY-UHFFFAOYSA-N 1 1 459.664 2.619 20 0 JFADMO CCn1c(SCC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957556 1065635328 /nfs/dbraw/zinc/63/53/28/1065635328.db2.gz CBKQMRNYRZAGMH-MRXNPFEDSA-N 1 1 451.040 2.710 20 0 JFADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958747 1065636256 /nfs/dbraw/zinc/63/62/56/1065636256.db2.gz ORTGGUHRBYYUEO-XMMPIXPASA-N 1 1 452.599 2.738 20 0 JFADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958747 1065636266 /nfs/dbraw/zinc/63/62/66/1065636266.db2.gz ORTGGUHRBYYUEO-XMMPIXPASA-N 1 1 452.599 2.738 20 0 JFADMO CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001292959618 1065638821 /nfs/dbraw/zinc/63/88/21/1065638821.db2.gz CIHBDZCALXHUHO-PZJWPPBQSA-N 1 1 466.696 2.745 20 0 JFADMO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292960152 1065639383 /nfs/dbraw/zinc/63/93/83/1065639383.db2.gz RBTRSSWOEYMHQG-HXUWFJFHSA-N 1 1 477.698 2.950 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292977271 1065656900 /nfs/dbraw/zinc/65/69/00/1065656900.db2.gz CAAYOHPGGYPQRF-QHCPKHFHSA-N 1 1 468.646 2.905 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292978142 1065658937 /nfs/dbraw/zinc/65/89/37/1065658937.db2.gz OYRLPBKUEQITLC-QFIPXVFZSA-N 1 1 468.646 2.785 20 0 JFADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCCN1CCCCCC1=O ZINC001292979322 1065661430 /nfs/dbraw/zinc/66/14/30/1065661430.db2.gz QYMFCETZVYVANT-UHFFFAOYSA-N 1 1 459.683 2.628 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292987736 1065673991 /nfs/dbraw/zinc/67/39/91/1065673991.db2.gz SCFQAAKQMBXJQN-FPOVZHCZSA-N 1 1 474.675 2.659 20 0 JFADMO CCc1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293008053 1065690217 /nfs/dbraw/zinc/69/02/17/1065690217.db2.gz ANNGWWQXHLIWAS-UHFFFAOYSA-N 1 1 473.618 2.582 20 0 JFADMO CCc1nnc(N2CCc3cc(OC)c(OC)c(OC)c3CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293008053 1065690228 /nfs/dbraw/zinc/69/02/28/1065690228.db2.gz ANNGWWQXHLIWAS-UHFFFAOYSA-N 1 1 473.618 2.582 20 0 JFADMO CCc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293011498 1065691757 /nfs/dbraw/zinc/69/17/57/1065691757.db2.gz FMAIINAMRSILMS-QGZVFWFLSA-N 1 1 453.513 2.569 20 0 JFADMO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293032936 1065701984 /nfs/dbraw/zinc/70/19/84/1065701984.db2.gz GIBDLDFTQDQQGW-FCHUYYIVSA-N 1 1 468.646 2.988 20 0 JFADMO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293035553 1065704103 /nfs/dbraw/zinc/70/41/03/1065704103.db2.gz NSAGEKOXFWGMCN-UXHICEINSA-N 1 1 491.681 2.619 20 0 JFADMO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001293035737 1065704555 /nfs/dbraw/zinc/70/45/55/1065704555.db2.gz BSCHLFHGSUBIRI-QFIPXVFZSA-N 1 1 474.675 2.733 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293039402 1065707269 /nfs/dbraw/zinc/70/72/69/1065707269.db2.gz ARUIXVUBHFFGGC-OAQYLSRUSA-N 1 1 498.676 2.941 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001293066222 1065717194 /nfs/dbraw/zinc/71/71/94/1065717194.db2.gz DHKAZLHPORCSBY-UHFFFAOYSA-N 1 1 496.635 2.903 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(-n2ccnc2C)c(F)c1 ZINC001293066222 1065717207 /nfs/dbraw/zinc/71/72/07/1065717207.db2.gz DHKAZLHPORCSBY-UHFFFAOYSA-N 1 1 496.635 2.903 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)COc1ccccc1OC ZINC001293069014 1065722337 /nfs/dbraw/zinc/72/23/37/1065722337.db2.gz PHJNKRFQGHCAMS-NRFANRHFSA-N 1 1 484.645 2.699 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)COc1ccccc1OC ZINC001293069014 1065722348 /nfs/dbraw/zinc/72/23/48/1065722348.db2.gz PHJNKRFQGHCAMS-NRFANRHFSA-N 1 1 484.645 2.699 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCOc1ccc(OC)cc1 ZINC001293071215 1065724557 /nfs/dbraw/zinc/72/45/57/1065724557.db2.gz LHHFSFDQCLTBRO-UHFFFAOYSA-N 1 1 453.591 2.764 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293073631 1065726230 /nfs/dbraw/zinc/72/62/30/1065726230.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 1 1 456.561 2.561 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293073631 1065726243 /nfs/dbraw/zinc/72/62/43/1065726243.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 1 1 456.561 2.561 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293094700 1065744223 /nfs/dbraw/zinc/74/42/23/1065744223.db2.gz NWSYPSURTGUKND-FGZHOGPDSA-N 1 1 473.710 2.922 20 0 JFADMO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293097223 1065747564 /nfs/dbraw/zinc/74/75/64/1065747564.db2.gz BKVTUWPUOVEGBK-LJQANCHMSA-N 1 1 461.605 2.719 20 0 JFADMO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293097834 1065748729 /nfs/dbraw/zinc/74/87/29/1065748729.db2.gz ZHYOUNBOAFULJN-UHFFFAOYSA-N 1 1 461.605 2.863 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001293116242 1065762480 /nfs/dbraw/zinc/76/24/80/1065762480.db2.gz KFPWLFHNKCNQKC-JOCHJYFZSA-N 1 1 459.683 2.628 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001293116293 1065763025 /nfs/dbraw/zinc/76/30/25/1065763025.db2.gz KQOGDYOYDXVPJN-MYDTUXCISA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001293131558 1065784001 /nfs/dbraw/zinc/78/40/01/1065784001.db2.gz OUVHJXNXJBFMGU-ZRBLBEILSA-N 1 1 462.683 2.667 20 0 JFADMO CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001293137492 1065788035 /nfs/dbraw/zinc/78/80/35/1065788035.db2.gz PPICOVYJCCFPDY-OAQYLSRUSA-N 1 1 455.525 2.838 20 0 JFADMO O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293138730 1065789370 /nfs/dbraw/zinc/78/93/70/1065789370.db2.gz ZZISHBCLNIVGPB-UHFFFAOYSA-N 1 1 458.946 2.784 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293139403 1065790184 /nfs/dbraw/zinc/79/01/84/1065790184.db2.gz RJGKOGLJGFGWRF-QFIPXVFZSA-N 1 1 474.675 2.757 20 0 JFADMO CCc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCC[NH+]1CCOCC1 ZINC001293151112 1065794157 /nfs/dbraw/zinc/79/41/57/1065794157.db2.gz VGBQARUBAKDEMQ-LJQANCHMSA-N 1 1 464.408 2.903 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001293173646 1065801606 /nfs/dbraw/zinc/80/16/06/1065801606.db2.gz NHTQLRSUHZUGET-SFTDATJTSA-N 1 1 470.618 2.559 20 0 JFADMO CCc1noc(C)c1Cn1c(C(C)C)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001293190674 1065817028 /nfs/dbraw/zinc/81/70/28/1065817028.db2.gz LDXNJRLTPZLYEL-FQEVSTJZSA-N 1 1 468.602 2.871 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001293190679 1065817100 /nfs/dbraw/zinc/81/71/00/1065817100.db2.gz YQPQVTKEPWQYPB-LEWJYISDSA-N 1 1 488.681 2.662 20 0 JFADMO CCc1noc(C)c1Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001293199359 1065827809 /nfs/dbraw/zinc/82/78/09/1065827809.db2.gz JLZIYGNZVZTTSW-HXUWFJFHSA-N 1 1 453.591 2.718 20 0 JFADMO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001293208720 1065840905 /nfs/dbraw/zinc/84/09/05/1065840905.db2.gz PYMAYHZKPVWTAQ-GOSISDBHSA-N 1 1 462.668 2.643 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293214837 1065849229 /nfs/dbraw/zinc/84/92/29/1065849229.db2.gz CORIIPLHJXKRQL-TYPHKJRUSA-N 1 1 488.608 2.629 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293216605 1065855382 /nfs/dbraw/zinc/85/53/82/1065855382.db2.gz JJUVPEWMVTWDOJ-LMVRJCEZSA-N 1 1 488.608 2.771 20 0 JFADMO O=C(NCC[NH+]1CCSCC1)c1ccc(Br)cc1I ZINC001293218281 1065862051 /nfs/dbraw/zinc/86/20/51/1065862051.db2.gz BZZGHGNYCKWJBO-UHFFFAOYSA-N 1 1 455.159 2.832 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293219517 1065866663 /nfs/dbraw/zinc/86/66/63/1065866663.db2.gz QWQPSUWFBDTYLF-MOPGFXCFSA-N 1 1 497.003 2.597 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001293219933 1065868690 /nfs/dbraw/zinc/86/86/90/1065868690.db2.gz XXQCRGAPAFEMMK-OCCSQVGLSA-N 1 1 467.437 2.967 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293240121 1065896838 /nfs/dbraw/zinc/89/68/38/1065896838.db2.gz WUDTUWDMOBUOOS-UNMCSNQZSA-N 1 1 468.646 2.960 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293241686 1065901317 /nfs/dbraw/zinc/90/13/17/1065901317.db2.gz DSGKQEJVMPJSTM-FYYLOGMGSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293243759 1065907080 /nfs/dbraw/zinc/90/70/80/1065907080.db2.gz BEHZHFDYCCXARM-ZCNNSNEGSA-N 1 1 489.665 2.797 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293253092 1065917212 /nfs/dbraw/zinc/91/72/12/1065917212.db2.gz UNFUDWPNGFKVGU-DVWBAYGPSA-N 1 1 491.036 2.673 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293253093 1065917684 /nfs/dbraw/zinc/91/76/84/1065917684.db2.gz UNFUDWPNGFKVGU-FIRPJDEBSA-N 1 1 491.036 2.673 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC001293269630 1065927084 /nfs/dbraw/zinc/92/70/84/1065927084.db2.gz RSFBADWXZUYJGT-OAQYLSRUSA-N 1 1 454.571 2.526 20 0 JFADMO O=C(CCCSc1ccc(Br)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001293284860 1065933498 /nfs/dbraw/zinc/93/34/98/1065933498.db2.gz ZJSXDWIAOBICLC-SFHVURJKSA-N 1 1 456.450 2.844 20 0 JFADMO CC[C@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293330878 1065951798 /nfs/dbraw/zinc/95/17/98/1065951798.db2.gz FWVRMQOYNJWTLN-MOPGFXCFSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293330878 1065951811 /nfs/dbraw/zinc/95/18/11/1065951811.db2.gz FWVRMQOYNJWTLN-MOPGFXCFSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293330878 1065951826 /nfs/dbraw/zinc/95/18/26/1065951826.db2.gz FWVRMQOYNJWTLN-MOPGFXCFSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+](C)C1CCCC1 ZINC001293334458 1065953024 /nfs/dbraw/zinc/95/30/24/1065953024.db2.gz ZYVAJILTDIAMOP-MSOLQXFVSA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+](C)C1CCCC1 ZINC001293334461 1065953057 /nfs/dbraw/zinc/95/30/57/1065953057.db2.gz ZYVAJILTDIAMOP-QZTJIDSGSA-N 1 1 452.669 2.922 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)[nH+]1 ZINC001293340262 1065955986 /nfs/dbraw/zinc/95/59/86/1065955986.db2.gz BQUDHYHHDBWZHK-CVEARBPZSA-N 1 1 451.980 2.598 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[nH+]1 ZINC001293340236 1065956020 /nfs/dbraw/zinc/95/60/20/1065956020.db2.gz AZBQYJXBRNVRQN-GOSISDBHSA-N 1 1 459.568 2.818 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001293357832 1065962968 /nfs/dbraw/zinc/96/29/68/1065962968.db2.gz BEYHRWVTZJEBPK-RTWAWAEBSA-N 1 1 496.660 2.931 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001293359142 1065963383 /nfs/dbraw/zinc/96/33/83/1065963383.db2.gz LNVKOLYTCINGRA-DNQXCXABSA-N 1 1 497.688 2.536 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc(C(F)(F)F)n4ccccc34)CC2)CC1 ZINC001293361301 1065964941 /nfs/dbraw/zinc/96/49/41/1065964941.db2.gz IDAXZPCBCZHTAF-UHFFFAOYSA-N 1 1 451.493 2.760 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361481 1065965326 /nfs/dbraw/zinc/96/53/26/1065965326.db2.gz AIVGBUWAIKTMLP-YXTQBTIXSA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 ZINC001293365053 1065969729 /nfs/dbraw/zinc/96/97/29/1065969729.db2.gz REVNOEWGSQMEQG-LJQANCHMSA-N 1 1 492.466 2.979 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001293365630 1065970938 /nfs/dbraw/zinc/97/09/38/1065970938.db2.gz NZIURAPEQQJKHF-NRFANRHFSA-N 1 1 454.619 2.813 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C ZINC001293366606 1065971567 /nfs/dbraw/zinc/97/15/67/1065971567.db2.gz WUTCCDUVDVAVOK-HXUWFJFHSA-N 1 1 470.618 2.942 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293366622 1065971749 /nfs/dbraw/zinc/97/17/49/1065971749.db2.gz XAQPKOCMHAKSFU-PCCBWWKXSA-N 1 1 471.650 2.905 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368942 1065972141 /nfs/dbraw/zinc/97/21/41/1065972141.db2.gz AIBPKJVNVRDKFI-IRXDYDNUSA-N 1 1 482.555 2.882 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001293366652 1065972172 /nfs/dbraw/zinc/97/21/72/1065972172.db2.gz XTONYMVKNMEVLH-YADHBBJMSA-N 1 1 454.619 2.859 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369487 1065972936 /nfs/dbraw/zinc/97/29/36/1065972936.db2.gz GWLHZTYVINKLQO-HSALFYBXSA-N 1 1 489.665 2.939 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 ZINC001293370963 1065974098 /nfs/dbraw/zinc/97/40/98/1065974098.db2.gz DKWFOFDFYFAYRK-IBGZPJMESA-N 1 1 488.658 2.924 20 0 JFADMO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371480 1065974568 /nfs/dbraw/zinc/97/45/68/1065974568.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371480 1065974577 /nfs/dbraw/zinc/97/45/77/1065974577.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371476 1065974688 /nfs/dbraw/zinc/97/46/88/1065974688.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371476 1065974697 /nfs/dbraw/zinc/97/46/97/1065974697.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371482 1065974759 /nfs/dbraw/zinc/97/47/59/1065974759.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001293371482 1065974777 /nfs/dbraw/zinc/97/47/77/1065974777.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 1 1 480.723 2.755 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373122 1065976997 /nfs/dbraw/zinc/97/69/97/1065976997.db2.gz PLGDUZCHFDRQMW-SFTDATJTSA-N 1 1 467.680 2.698 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 ZINC001293373327 1065977454 /nfs/dbraw/zinc/97/74/54/1065977454.db2.gz NXKIELBQOOCWRF-NRFANRHFSA-N 1 1 469.634 2.603 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293373574 1065977958 /nfs/dbraw/zinc/97/79/58/1065977958.db2.gz QDHVFAFUNVMAIC-NHCUHLMSSA-N 1 1 460.648 2.542 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001293374138 1065979869 /nfs/dbraw/zinc/97/98/69/1065979869.db2.gz UGBISLAQJICUPS-YPAWHYETSA-N 1 1 496.722 2.748 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374648 1065980859 /nfs/dbraw/zinc/98/08/59/1065980859.db2.gz ZGFDCMPAWPAWMD-GOTSBHOMSA-N 1 1 453.635 2.833 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001293377379 1065981957 /nfs/dbraw/zinc/98/19/57/1065981957.db2.gz TZJWEOCSUWGYOT-HOJAQTOUSA-N 1 1 451.612 2.581 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293388146 1065989211 /nfs/dbraw/zinc/98/92/11/1065989211.db2.gz XJFQKVGGXMUZFN-VQTJNVASSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293388146 1065989224 /nfs/dbraw/zinc/98/92/24/1065989224.db2.gz XJFQKVGGXMUZFN-VQTJNVASSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001293455604 1066012471 /nfs/dbraw/zinc/01/24/71/1066012471.db2.gz PBKKZVZRTWLUFH-GUDVDZBRSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC[N@H+]1CCOC ZINC001293505229 1066028660 /nfs/dbraw/zinc/02/86/60/1066028660.db2.gz FTQVWVLJWGFKPM-QFIPXVFZSA-N 1 1 486.686 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC[N@H+]1CCOC ZINC001293505559 1066028987 /nfs/dbraw/zinc/02/89/87/1066028987.db2.gz HCSCKEYXQOXZIR-PKOBYXMFSA-N 1 1 475.663 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)C[C@H]1[NH+]1CCOCC1 ZINC001293507758 1066032121 /nfs/dbraw/zinc/03/21/21/1066032121.db2.gz JJFMXMHJSDGBTM-YLJYHZDGSA-N 1 1 491.036 2.674 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC001293509596 1066034027 /nfs/dbraw/zinc/03/40/27/1066034027.db2.gz MXGGDSSMSKIGIQ-IBGZPJMESA-N 1 1 464.680 2.783 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC[N@H+]1CCOC ZINC001293509341 1066034058 /nfs/dbraw/zinc/03/40/58/1066034058.db2.gz HZZSVLPHSJLQLV-HXUWFJFHSA-N 1 1 497.575 2.668 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CC[N@H+]1CCOC ZINC001293510487 1066035474 /nfs/dbraw/zinc/03/54/74/1066035474.db2.gz OXYCEMQCWMFAFV-KRWDZBQOSA-N 1 1 455.588 2.582 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CC)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293511746 1066037751 /nfs/dbraw/zinc/03/77/51/1066037751.db2.gz XZLLWNCYPCAGPY-VAMGGRTRSA-N 1 1 491.681 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293511410 1066037821 /nfs/dbraw/zinc/03/78/21/1066037821.db2.gz WJFHAMDSQTVPQZ-WOIUINJBSA-N 1 1 472.609 2.906 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCS1 ZINC001293511984 1066038564 /nfs/dbraw/zinc/03/85/64/1066038564.db2.gz YGBFLBCBXJTPOZ-OKZBNKHCSA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC001293517797 1066040627 /nfs/dbraw/zinc/04/06/27/1066040627.db2.gz JESHCJRVGMBUHG-HXUWFJFHSA-N 1 1 460.598 2.826 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293519689 1066041315 /nfs/dbraw/zinc/04/13/15/1066041315.db2.gz ZMEQKBCPPKDIAC-WMZOPIPTSA-N 1 1 466.428 2.608 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293520639 1066042513 /nfs/dbraw/zinc/04/25/13/1066042513.db2.gz ZLVGJRPYOISFDO-FPOVZHCZSA-N 1 1 460.667 2.914 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293524071 1066045353 /nfs/dbraw/zinc/04/53/53/1066045353.db2.gz KRVIPQRSEXHCOS-FPGHNAPASA-N 1 1 493.649 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001293530048 1066049548 /nfs/dbraw/zinc/04/95/48/1066049548.db2.gz CNFLGUVNSWKAOK-XAISMOLKSA-N 1 1 479.666 2.681 20 0 JFADMO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001293531127 1066050841 /nfs/dbraw/zinc/05/08/41/1066050841.db2.gz KQSQIUXPXWCHOR-RDPSFJRHSA-N 1 1 480.723 2.677 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CC[N@H+]1CCOC ZINC001293533768 1066052672 /nfs/dbraw/zinc/05/26/72/1066052672.db2.gz SPYZJDRBBBXHJP-SFHVURJKSA-N 1 1 464.408 2.780 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001293537236 1066054383 /nfs/dbraw/zinc/05/43/83/1066054383.db2.gz IUIROEIEZKLFTG-QZTJIDSGSA-N 1 1 481.439 2.888 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CCN1CCOC ZINC001293538955 1066056876 /nfs/dbraw/zinc/05/68/76/1066056876.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CCN1CCOC ZINC001293538955 1066056886 /nfs/dbraw/zinc/05/68/86/1066056886.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539691 1066058194 /nfs/dbraw/zinc/05/81/94/1066058194.db2.gz LFEFKDVGPJLYCR-FPOVZHCZSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539691 1066058202 /nfs/dbraw/zinc/05/82/02/1066058202.db2.gz LFEFKDVGPJLYCR-FPOVZHCZSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539691 1066058211 /nfs/dbraw/zinc/05/82/11/1066058211.db2.gz LFEFKDVGPJLYCR-FPOVZHCZSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(C)cn2)CC[N@H+]1CCOC ZINC001293541275 1066060803 /nfs/dbraw/zinc/06/08/03/1066060803.db2.gz SVEGKNKCKIHQBJ-NRFANRHFSA-N 1 1 453.591 2.706 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@@H+](C)C(C)C)C[C@H](C)O1 ZINC001293542251 1066062421 /nfs/dbraw/zinc/06/24/21/1066062421.db2.gz ZFYKBZVVKWODAH-PZJWPPBQSA-N 1 1 492.690 2.929 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553374 1066067877 /nfs/dbraw/zinc/06/78/77/1066067877.db2.gz DKWIWNWJXPSHMS-CTNGQTDRSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553377 1066067930 /nfs/dbraw/zinc/06/79/30/1066067930.db2.gz DKWIWNWJXPSHMS-TZIWHRDSSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553375 1066067988 /nfs/dbraw/zinc/06/79/88/1066067988.db2.gz DKWIWNWJXPSHMS-FPOVZHCZSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC[N@H+]1CCOC ZINC001293555625 1066069758 /nfs/dbraw/zinc/06/97/58/1066069758.db2.gz XJEJEAKOLKONNQ-IAGOWNOFSA-N 1 1 464.973 2.563 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC[N@H+]1CCOC ZINC001293556117 1066070227 /nfs/dbraw/zinc/07/02/27/1066070227.db2.gz HIBJJWJYPNELDN-FQEVSTJZSA-N 1 1 473.618 2.936 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293556348 1066070575 /nfs/dbraw/zinc/07/05/75/1066070575.db2.gz HUXDUSADYFKKRP-XRSWDHFMSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293556348 1066070584 /nfs/dbraw/zinc/07/05/84/1066070584.db2.gz HUXDUSADYFKKRP-XRSWDHFMSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001293556504 1066070994 /nfs/dbraw/zinc/07/09/94/1066070994.db2.gz OVHVTQKFIYQUGB-LJQANCHMSA-N 1 1 470.574 2.854 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293556939 1066071051 /nfs/dbraw/zinc/07/10/51/1066071051.db2.gz KQWOOQZSVFGFPJ-BWKNWUBXSA-N 1 1 488.702 2.938 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293558776 1066072908 /nfs/dbraw/zinc/07/29/08/1066072908.db2.gz SFQKCSQJBBHVEO-TZIWHRDSSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001293559232 1066073548 /nfs/dbraw/zinc/07/35/48/1066073548.db2.gz WACNFRFZSZSVQB-HXUWFJFHSA-N 1 1 479.629 2.813 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCOCC2)CC[N@H+]1CCOC ZINC001293559595 1066074072 /nfs/dbraw/zinc/07/40/72/1066074072.db2.gz YQHDCUCBNQPAHH-NRFANRHFSA-N 1 1 473.618 2.936 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC2CC2)CC[N@H+]1CCOC ZINC001293563875 1066076654 /nfs/dbraw/zinc/07/66/54/1066076654.db2.gz DFBQJDNOJIFBFK-SFHVURJKSA-N 1 1 461.010 2.672 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293567204 1066080028 /nfs/dbraw/zinc/08/00/28/1066080028.db2.gz YLHZRHTXHLEFIJ-IFMALSPDSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001293569378 1066081900 /nfs/dbraw/zinc/08/19/00/1066081900.db2.gz WYAPIUGIKXXJNO-GOSISDBHSA-N 1 1 489.422 2.546 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@@](C)=O)cc2)CC[N@H+]1CCOC ZINC001293571075 1066083059 /nfs/dbraw/zinc/08/30/59/1066083059.db2.gz JVVDKWXKNYGFII-OHWKKVTOSA-N 1 1 482.654 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C[S@](C)=O)cc2)CC[N@H+]1CCOC ZINC001293571074 1066083129 /nfs/dbraw/zinc/08/31/29/1066083129.db2.gz JVVDKWXKNYGFII-NHOCJEJCSA-N 1 1 482.654 2.814 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001293574598 1066085493 /nfs/dbraw/zinc/08/54/93/1066085493.db2.gz GHLGKGSBMWFZOW-SFHVURJKSA-N 1 1 478.523 2.688 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293578477 1066088965 /nfs/dbraw/zinc/08/89/65/1066088965.db2.gz JNWHMRAAHOBJLO-AYLZSAKASA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293578477 1066088979 /nfs/dbraw/zinc/08/89/79/1066088979.db2.gz JNWHMRAAHOBJLO-AYLZSAKASA-N 1 1 462.664 2.743 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293578945 1066089427 /nfs/dbraw/zinc/08/94/27/1066089427.db2.gz PLWNJBQAKGELJH-HSZRJFAPSA-N 1 1 491.640 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cccc(C)c2)CC[N@H+]1CCOC ZINC001293578948 1066089918 /nfs/dbraw/zinc/08/99/18/1066089918.db2.gz PLWNJBQAKGELJH-QHCPKHFHSA-N 1 1 491.640 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293581451 1066090126 /nfs/dbraw/zinc/09/01/26/1066090126.db2.gz BWOCCYCOWPHGBT-MJGOQNOKSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293581450 1066090243 /nfs/dbraw/zinc/09/02/43/1066090243.db2.gz BWOCCYCOWPHGBT-IEBWSBKVSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@H+]1CCOC ZINC001293583803 1066093225 /nfs/dbraw/zinc/09/32/25/1066093225.db2.gz KHARAOPHBGIDIS-ZWKOTPCHSA-N 1 1 460.648 2.816 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCN1CCOC ZINC001293592703 1066098316 /nfs/dbraw/zinc/09/83/16/1066098316.db2.gz CVWYRDJZDHJFHG-WWNPGLIZSA-N 1 1 474.625 2.771 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293593102 1066099021 /nfs/dbraw/zinc/09/90/21/1066099021.db2.gz DBUKHIFELVODLG-YRXWBPOGSA-N 1 1 475.556 2.687 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001293593986 1066100083 /nfs/dbraw/zinc/10/00/83/1066100083.db2.gz GMZGOQCJJWPCAF-LEWJYISDSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293594907 1066103181 /nfs/dbraw/zinc/10/31/81/1066103181.db2.gz MFLXFOQGXXMFBQ-SFTDATJTSA-N 1 1 492.665 2.586 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001293595222 1066103727 /nfs/dbraw/zinc/10/37/27/1066103727.db2.gz NSWAQLZRIHUANU-YCRNBWNJSA-N 1 1 463.648 2.688 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1CCOC ZINC001293596143 1066107239 /nfs/dbraw/zinc/10/72/39/1066107239.db2.gz QITGGNRMMXPINJ-GMAHTHKFSA-N 1 1 499.660 2.861 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293597449 1066110031 /nfs/dbraw/zinc/11/00/31/1066110031.db2.gz SZQHBVFGTRZLFT-NIRIFSCTSA-N 1 1 457.619 2.627 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC001293599663 1066114127 /nfs/dbraw/zinc/11/41/27/1066114127.db2.gz NOGHQMDWQZFHJU-DOIPELPJSA-N 1 1 467.680 2.839 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001293600193 1066116264 /nfs/dbraw/zinc/11/62/64/1066116264.db2.gz PIVYJQQPGBLVFR-QGLKVJOYSA-N 1 1 467.680 2.552 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC[N@H+]1CCOC ZINC001293602510 1066118892 /nfs/dbraw/zinc/11/88/92/1066118892.db2.gz XNPUWQCUJKXBAN-GHTZIAJQSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Cl)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293602849 1066119563 /nfs/dbraw/zinc/11/95/63/1066119563.db2.gz PFVYELOYMXEQPA-MJGOQNOKSA-N 1 1 450.031 2.964 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293606045 1066121348 /nfs/dbraw/zinc/12/13/48/1066121348.db2.gz FHJOQJUBXHFEFO-ACESQOTJSA-N 1 1 462.683 2.523 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293606725 1066121936 /nfs/dbraw/zinc/12/19/36/1066121936.db2.gz GKFZCGKQDYWHGM-SFTDATJTSA-N 1 1 476.666 2.891 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC[N@@H+]1CCOC ZINC001293611516 1066127052 /nfs/dbraw/zinc/12/70/52/1066127052.db2.gz XZICGEQLAXSYDH-QTYPKTMWSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)CC[N@H+]1CCOC ZINC001293611516 1066127054 /nfs/dbraw/zinc/12/70/54/1066127054.db2.gz XZICGEQLAXSYDH-QTYPKTMWSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293612049 1066127544 /nfs/dbraw/zinc/12/75/44/1066127544.db2.gz JHRDRMBKERZNGL-KNQAVFIVSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293612685 1066129119 /nfs/dbraw/zinc/12/91/19/1066129119.db2.gz PFRKMRRGAYGDAA-FPOVZHCZSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293612685 1066129125 /nfs/dbraw/zinc/12/91/25/1066129125.db2.gz PFRKMRRGAYGDAA-FPOVZHCZSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293612695 1066129564 /nfs/dbraw/zinc/12/95/64/1066129564.db2.gz PPHCFKBOJXRPGS-REWPJTCUSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001293613647 1066130994 /nfs/dbraw/zinc/13/09/94/1066130994.db2.gz YVHUPZBKCBUUOW-FGZHOGPDSA-N 1 1 457.619 2.850 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293616419 1066132888 /nfs/dbraw/zinc/13/28/88/1066132888.db2.gz IJJRXUBQYNIJLK-VQTJNVASSA-N 1 1 462.689 2.660 20 0 JFADMO CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293624119 1066140153 /nfs/dbraw/zinc/14/01/53/1066140153.db2.gz VCNHIZYLQKGIDR-URXFXBBRSA-N 1 1 464.724 2.995 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293629059 1066143403 /nfs/dbraw/zinc/14/34/03/1066143403.db2.gz JVCDNJZVDALRDX-HXUWFJFHSA-N 1 1 461.010 2.649 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2)CC[N@H+]1CCOC ZINC001293629057 1066143472 /nfs/dbraw/zinc/14/34/72/1066143472.db2.gz JVCDNJZVDALRDX-FQEVSTJZSA-N 1 1 461.010 2.649 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001293629819 1066144317 /nfs/dbraw/zinc/14/43/17/1066144317.db2.gz MLTPTACBXNYOCR-RBBKRZOGSA-N 1 1 454.619 2.926 20 0 JFADMO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](SC)C(C)(C)C)CC[N@H+]1CCOC ZINC001293633381 1066148708 /nfs/dbraw/zinc/14/87/08/1066148708.db2.gz ZXGQXUYIPFMRLD-OALUTQOASA-N 1 1 466.696 2.725 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](SC)C(C)(C)C)CC[N@H+]1CCOC ZINC001293633383 1066148755 /nfs/dbraw/zinc/14/87/55/1066148755.db2.gz ZXGQXUYIPFMRLD-RTBURBONSA-N 1 1 466.696 2.725 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCN1CCOC ZINC001293635126 1066150197 /nfs/dbraw/zinc/15/01/97/1066150197.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCN1CCOC ZINC001293635126 1066150203 /nfs/dbraw/zinc/15/02/03/1066150203.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293646958 1066162038 /nfs/dbraw/zinc/16/20/38/1066162038.db2.gz ALPYUSQSDDOJJI-XUVXKRRUSA-N 1 1 451.656 2.905 20 0 JFADMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001293650133 1066163006 /nfs/dbraw/zinc/16/30/06/1066163006.db2.gz IPGHURAVRNXMJA-FQEVSTJZSA-N 1 1 459.612 2.930 20 0 JFADMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC001293650136 1066163010 /nfs/dbraw/zinc/16/30/10/1066163010.db2.gz IPGHURAVRNXMJA-HXUWFJFHSA-N 1 1 459.612 2.930 20 0 JFADMO CC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCC(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293651586 1066163617 /nfs/dbraw/zinc/16/36/17/1066163617.db2.gz MMJJGLQNTXEWOU-XLIONFOSSA-N 1 1 493.077 2.907 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293652462 1066164263 /nfs/dbraw/zinc/16/42/63/1066164263.db2.gz JCBULJUBTIUUFU-BRSBDYLESA-N 1 1 461.529 2.644 20 0 JFADMO C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)ccc2Cl)C[C@H](C)O1 ZINC001293652584 1066165027 /nfs/dbraw/zinc/16/50/27/1066165027.db2.gz ZNTABHRRKPFJKV-IXDOHACOSA-N 1 1 458.024 2.552 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(F)c2)CC[N@H+]1CCOC ZINC001293653469 1066166127 /nfs/dbraw/zinc/16/61/27/1066166127.db2.gz OVVLBAAHKMBXPI-NNWRFLSQSA-N 1 1 461.582 2.737 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)C[C@@H]1[NH+]1CCOCC1 ZINC001293653795 1066166400 /nfs/dbraw/zinc/16/64/00/1066166400.db2.gz QMGJOPIAADEPHP-SOUVJXGZSA-N 1 1 464.355 2.664 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2)CC[N@H+]1CCOC ZINC001293654229 1066167097 /nfs/dbraw/zinc/16/70/97/1066167097.db2.gz SYIVSUHSQYNXDG-TZIWHRDSSA-N 1 1 459.591 2.742 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293660634 1066168324 /nfs/dbraw/zinc/16/83/24/1066168324.db2.gz VXDBZPUIEKWFNY-JIORRVSTSA-N 1 1 479.666 2.753 20 0 JFADMO C[C@H]1C[C@@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001293663578 1066168807 /nfs/dbraw/zinc/16/88/07/1066168807.db2.gz LXGRGVLZKFBBCY-REWPJTCUSA-N 1 1 451.567 2.881 20 0 JFADMO CC/C=C/Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293667773 1066170183 /nfs/dbraw/zinc/17/01/83/1066170183.db2.gz QSSXXUJDKPEMCH-QWNKOJSDSA-N 1 1 490.450 2.755 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001293671728 1066171503 /nfs/dbraw/zinc/17/15/03/1066171503.db2.gz KNSHBZDASMQVHM-GOSISDBHSA-N 1 1 454.575 2.807 20 0 JFADMO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293683463 1066174001 /nfs/dbraw/zinc/17/40/01/1066174001.db2.gz QIDATRZUYROAPC-BXKJMJEDSA-N 1 1 468.602 2.671 20 0 JFADMO CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001293711178 1066179914 /nfs/dbraw/zinc/17/99/14/1066179914.db2.gz CEHLJOUURNANSX-IVFUSOGKSA-N 1 1 466.630 2.833 20 0 JFADMO CC/C=C/Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293714527 1066180323 /nfs/dbraw/zinc/18/03/23/1066180323.db2.gz KPZRVXKVRUEEQO-XYXUZSOXSA-N 1 1 473.691 2.831 20 0 JFADMO CC/C=C/Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293714523 1066180395 /nfs/dbraw/zinc/18/03/95/1066180395.db2.gz KPZRVXKVRUEEQO-WMWRJIBUSA-N 1 1 473.691 2.831 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCOC)CC2)cc1 ZINC001293733255 1066190664 /nfs/dbraw/zinc/19/06/64/1066190664.db2.gz RFMPOSDWLUASMG-UHFFFAOYSA-N 1 1 451.575 2.829 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001293744480 1066213151 /nfs/dbraw/zinc/21/31/51/1066213151.db2.gz ZXLRVPDZULBPNW-PKOBYXMFSA-N 1 1 476.025 2.599 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[N@@H+](C)CCN1C ZINC001293744587 1066213707 /nfs/dbraw/zinc/21/37/07/1066213707.db2.gz JATZQIVPIRTXCE-UUOWRZLLSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001293744587 1066213736 /nfs/dbraw/zinc/21/37/36/1066213736.db2.gz JATZQIVPIRTXCE-UUOWRZLLSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC001293744587 1066213751 /nfs/dbraw/zinc/21/37/51/1066213751.db2.gz JATZQIVPIRTXCE-UUOWRZLLSA-N 1 1 450.583 2.666 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293756387 1066236115 /nfs/dbraw/zinc/23/61/15/1066236115.db2.gz RBWRARQYFVFAER-BHIFYINESA-N 1 1 487.693 2.654 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001293757696 1066238689 /nfs/dbraw/zinc/23/86/89/1066238689.db2.gz YLKDVYCHUCUUGU-NHCUHLMSSA-N 1 1 473.666 2.550 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001293773747 1066264119 /nfs/dbraw/zinc/26/41/19/1066264119.db2.gz DUNFJBNZTCSVOL-UHFFFAOYSA-N 1 1 451.579 2.606 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001293779208 1066272128 /nfs/dbraw/zinc/27/21/28/1066272128.db2.gz BLYGQFKHYUAERR-IBGZPJMESA-N 1 1 470.666 2.757 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293786088 1066286684 /nfs/dbraw/zinc/28/66/84/1066286684.db2.gz DVFBUCRAEFTXDR-VXKWHMMOSA-N 1 1 483.661 2.830 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001293786697 1066289073 /nfs/dbraw/zinc/28/90/73/1066289073.db2.gz JAPJEWUYEKYAKV-FQEVSTJZSA-N 1 1 468.650 2.990 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293786971 1066290439 /nfs/dbraw/zinc/29/04/39/1066290439.db2.gz OQMIBKGRESHGPX-LEWJYISDSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293786971 1066290453 /nfs/dbraw/zinc/29/04/53/1066290453.db2.gz OQMIBKGRESHGPX-LEWJYISDSA-N 1 1 484.645 2.807 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001293787647 1066292162 /nfs/dbraw/zinc/29/21/62/1066292162.db2.gz VBEHESRDPKIXQF-PMACEKPBSA-N 1 1 454.623 2.742 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001293789404 1066298020 /nfs/dbraw/zinc/29/80/20/1066298020.db2.gz PSZPNLBBONPNMY-SQJMNOBHSA-N 1 1 492.734 2.817 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293795893 1066303631 /nfs/dbraw/zinc/30/36/31/1066303631.db2.gz WTRJWCFXMCAILV-NBGIEHNGSA-N 1 1 489.064 2.722 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293799975 1066310903 /nfs/dbraw/zinc/31/09/03/1066310903.db2.gz BZZAZUFVEZVVLJ-IERDGZPVSA-N 1 1 481.439 2.745 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293799974 1066311054 /nfs/dbraw/zinc/31/10/54/1066311054.db2.gz BZZAZUFVEZVVLJ-HRAATJIYSA-N 1 1 481.439 2.745 20 0 JFADMO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818870 1066326139 /nfs/dbraw/zinc/32/61/39/1066326139.db2.gz ASPTXHOAKTXYCX-QNIAMRLHSA-N 1 1 460.667 2.866 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822515 1066330453 /nfs/dbraw/zinc/33/04/53/1066330453.db2.gz VALQIDBXOKXZLE-RTGAMMJTSA-N 1 1 483.661 2.579 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001293832810 1066335948 /nfs/dbraw/zinc/33/59/48/1066335948.db2.gz AHHKNCFDCBSKAV-ZEQRLZLVSA-N 1 1 461.582 2.848 20 0 JFADMO C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293855033 1066362092 /nfs/dbraw/zinc/36/20/92/1066362092.db2.gz KNSIMISGWMSNIO-QGZVFWFLSA-N 1 1 454.036 2.898 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293866131 1066376397 /nfs/dbraw/zinc/37/63/97/1066376397.db2.gz XBEIRFCXDUVNJS-URVUXULASA-N 1 1 476.666 2.762 20 0 JFADMO CCC[C@@H](C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001293870132 1066382318 /nfs/dbraw/zinc/38/23/18/1066382318.db2.gz SAGZCJLHHSQLMA-OAQYLSRUSA-N 1 1 480.661 2.990 20 0 JFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1csc(I)n1 ZINC001293914587 1066398905 /nfs/dbraw/zinc/39/89/05/1066398905.db2.gz PSTRLFDOLKZVJS-UHFFFAOYSA-N 1 1 456.353 2.642 20 0 JFADMO CCC[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293920885 1066400614 /nfs/dbraw/zinc/40/06/14/1066400614.db2.gz BFNLBINQXZKENJ-QUCCMNQESA-N 1 1 470.684 2.500 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001293930572 1066408989 /nfs/dbraw/zinc/40/89/89/1066408989.db2.gz CTFXRFYFLALXSC-PCCBWWKXSA-N 1 1 475.682 2.812 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001293939093 1066423462 /nfs/dbraw/zinc/42/34/62/1066423462.db2.gz UMBBZTIMXIVANN-ZJOUEHCJSA-N 1 1 456.639 2.684 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001293939091 1066423569 /nfs/dbraw/zinc/42/35/69/1066423569.db2.gz UMBBZTIMXIVANN-IRFCIJBXSA-N 1 1 456.639 2.684 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001293957050 1066455172 /nfs/dbraw/zinc/45/51/72/1066455172.db2.gz QKMFNSJUDKMKJU-IEXUWNMDSA-N 1 1 484.645 2.758 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)OC ZINC001293959293 1066457923 /nfs/dbraw/zinc/45/79/23/1066457923.db2.gz OQXQIRPKDDUNOX-HMXCVIKNSA-N 1 1 490.674 2.683 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001293960009 1066458513 /nfs/dbraw/zinc/45/85/13/1066458513.db2.gz APJDEZLCYQORFU-FGZHOGPDSA-N 1 1 470.618 2.512 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001293960010 1066458567 /nfs/dbraw/zinc/45/85/67/1066458567.db2.gz APJDEZLCYQORFU-VXKWHMMOSA-N 1 1 470.618 2.512 20 0 JFADMO CN1C(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001293981690 1066486031 /nfs/dbraw/zinc/48/60/31/1066486031.db2.gz GIOXRGWBGUEQDN-KUWBRRTOSA-N 1 1 459.949 2.752 20 0 JFADMO CCC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001293994912 1066496904 /nfs/dbraw/zinc/49/69/04/1066496904.db2.gz SBBAMVUSCZDQJD-MOPGFXCFSA-N 1 1 461.632 2.915 20 0 JFADMO CCC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001293994912 1066496908 /nfs/dbraw/zinc/49/69/08/1066496908.db2.gz SBBAMVUSCZDQJD-MOPGFXCFSA-N 1 1 461.632 2.915 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001294003160 1066502239 /nfs/dbraw/zinc/50/22/39/1066502239.db2.gz HGGUIYBELBBRBJ-CTNGQTDRSA-N 1 1 459.639 2.557 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294014154 1066508919 /nfs/dbraw/zinc/50/89/19/1066508919.db2.gz ZATMEIJLDFIVFM-IBGZPJMESA-N 1 1 461.582 2.848 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294014154 1066508932 /nfs/dbraw/zinc/50/89/32/1066508932.db2.gz ZATMEIJLDFIVFM-IBGZPJMESA-N 1 1 461.582 2.848 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001294025853 1066513352 /nfs/dbraw/zinc/51/33/52/1066513352.db2.gz UVQDBBYUVXLOGL-OAQYLSRUSA-N 1 1 457.596 2.538 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001294054646 1066526749 /nfs/dbraw/zinc/52/67/49/1066526749.db2.gz LFYPSMZSXNDBPQ-PGRDOPGGSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC[N@H+]1CCOC ZINC001294054986 1066528387 /nfs/dbraw/zinc/52/83/87/1066528387.db2.gz REMXWHQGHIMXCQ-CZSZKKDXSA-N 1 1 476.666 2.799 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC[N@H+]1CCOC ZINC001294055265 1066528815 /nfs/dbraw/zinc/52/88/15/1066528815.db2.gz SQKUOQNTWRQPIJ-RTBURBONSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001294055669 1066529216 /nfs/dbraw/zinc/52/92/16/1066529216.db2.gz FHESTTHUBPTAIH-UWUFEASWSA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC[N@H+]1CCOC ZINC001294058529 1066531191 /nfs/dbraw/zinc/53/11/91/1066531191.db2.gz RGFSVZZVVLWGHR-RBUKOAKNSA-N 1 1 476.588 2.602 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001294066390 1066536493 /nfs/dbraw/zinc/53/64/93/1066536493.db2.gz HSUJGIKOUOTVRO-VQTJNVASSA-N 1 1 479.025 2.736 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CCO1 ZINC001294067255 1066537319 /nfs/dbraw/zinc/53/73/19/1066537319.db2.gz HHIJUOQFFWAEDM-KRWDZBQOSA-N 1 1 467.412 2.763 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC[N@H+]1CCOC ZINC001294068730 1066539263 /nfs/dbraw/zinc/53/92/63/1066539263.db2.gz XDWJHOKOPVUWDG-RBUKOAKNSA-N 1 1 490.052 2.845 20 0 JFADMO CNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001294072857 1066542122 /nfs/dbraw/zinc/54/21/22/1066542122.db2.gz PNUGGFPVJHCGAC-INIZCTEOSA-N 1 1 459.490 2.714 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CC[N@H+]1CCOC ZINC001294075544 1066544599 /nfs/dbraw/zinc/54/45/99/1066544599.db2.gz AVUMUKJOBVNCSI-LJQANCHMSA-N 1 1 470.622 2.950 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CC[N@H+]1CCOC ZINC001294075510 1066544667 /nfs/dbraw/zinc/54/46/67/1066544667.db2.gz AFRTUXWLQOTQPB-OAQYLSRUSA-N 1 1 459.639 2.823 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CC[N@H+]1CCOC ZINC001294076339 1066545537 /nfs/dbraw/zinc/54/55/37/1066545537.db2.gz IHHITHIQCNPGEH-NRFANRHFSA-N 1 1 450.591 2.618 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001294078066 1066547946 /nfs/dbraw/zinc/54/79/46/1066547946.db2.gz VKJPLQFAAIMWPR-PXDATVDWSA-N 1 1 465.602 2.580 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001294082196 1066550714 /nfs/dbraw/zinc/55/07/14/1066550714.db2.gz QOZCWNCBYRFYCR-VQTJNVASSA-N 1 1 467.680 2.631 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085280 1066555085 /nfs/dbraw/zinc/55/50/85/1066555085.db2.gz DPTLDAPPESKFOB-PLACYPQZSA-N 1 1 467.680 2.554 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001294086963 1066558760 /nfs/dbraw/zinc/55/87/60/1066558760.db2.gz PEOZVTUACZJXEZ-QHAWAJNXSA-N 1 1 467.680 2.840 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC[N@H+]1CCOC ZINC001294087545 1066559589 /nfs/dbraw/zinc/55/95/89/1066559589.db2.gz UEYKPINVXBJYOR-NJYVYQBISA-N 1 1 451.656 2.855 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC[N@H+]1CCOC ZINC001294087878 1066560469 /nfs/dbraw/zinc/56/04/69/1066560469.db2.gz YIFFNINKBXEZQI-QNIAMRLHSA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294091922 1066562554 /nfs/dbraw/zinc/56/25/54/1066562554.db2.gz PYVUWKOTKAESOR-VQTJNVASSA-N 1 1 464.561 2.625 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294091921 1066562590 /nfs/dbraw/zinc/56/25/90/1066562590.db2.gz PYVUWKOTKAESOR-UXHICEINSA-N 1 1 464.561 2.625 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1CN1CC[C@H](CO)C1 ZINC001164423053 718943914 /nfs/dbraw/zinc/94/39/14/718943914.db2.gz DAPFWTLWYYVKMW-XZOYJPPVSA-N 1 1 463.626 2.956 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164632727 719259195 /nfs/dbraw/zinc/25/91/95/719259195.db2.gz AQHSZGQYJBKYGY-JOCHJYFZSA-N 1 1 467.618 2.769 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164655232 719324786 /nfs/dbraw/zinc/32/47/86/719324786.db2.gz PDODAQMBRGNOPJ-BBVWWWHTSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12 ZINC001164655232 719324787 /nfs/dbraw/zinc/32/47/87/719324787.db2.gz PDODAQMBRGNOPJ-BBVWWWHTSA-N 1 1 461.610 2.935 20 0 JFADMO CN(C)C(=O)COCc1noc2c1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164659353 719341157 /nfs/dbraw/zinc/34/11/57/719341157.db2.gz BKTNUCBQSJWEBZ-UHFFFAOYSA-N 1 1 461.566 2.795 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164665458 719356768 /nfs/dbraw/zinc/35/67/68/719356768.db2.gz XSGUIBNVKHHRLA-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN([C@@H](F)Oc4ccc(Cl)nc4)C3)C2)cc[nH+]1 ZINC001164664248 719357264 /nfs/dbraw/zinc/35/72/64/719357264.db2.gz NEELAJYWLKBBEK-CTNGQTDRSA-N 1 1 450.946 2.842 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4ccnc4)c3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164677471 719564277 /nfs/dbraw/zinc/56/42/77/719564277.db2.gz NYUGNXQWOLFRTJ-SFHVURJKSA-N 1 1 493.612 2.676 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4ccnc4)c3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164677471 719564288 /nfs/dbraw/zinc/56/42/88/719564288.db2.gz NYUGNXQWOLFRTJ-SFHVURJKSA-N 1 1 493.612 2.676 20 0 JFADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)CC3)cs1 ZINC001164691738 719805257 /nfs/dbraw/zinc/80/52/57/719805257.db2.gz JOFVUNCAXSHCCL-UHFFFAOYSA-N 1 1 499.685 2.550 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)n1 ZINC001164696352 719829109 /nfs/dbraw/zinc/82/91/09/719829109.db2.gz IODINPBHAHDYCY-SFHVURJKSA-N 1 1 485.658 2.745 20 0 JFADMO CCOc1cc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2cc1OCC ZINC001164700617 719855169 /nfs/dbraw/zinc/85/51/69/719855169.db2.gz IGSQMVWUDBYUQR-OSPHWJPCSA-N 1 1 458.559 2.660 20 0 JFADMO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164698155 719882787 /nfs/dbraw/zinc/88/27/87/719882787.db2.gz DIZXVIQDCYVXDR-XPWALMASSA-N 1 1 470.577 2.767 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164698251 719897691 /nfs/dbraw/zinc/89/76/91/719897691.db2.gz QHFQDJHTKYMCQD-UHFFFAOYSA-N 1 1 450.630 2.701 20 0 JFADMO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164710335 720052255 /nfs/dbraw/zinc/05/22/55/720052255.db2.gz DZDPPKRBKWKTAC-RWUBSVTLSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164713139 720053711 /nfs/dbraw/zinc/05/37/11/720053711.db2.gz MPBZNCCUDACOGN-LDQXTDLNSA-N 1 1 456.978 2.535 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810355 720085980 /nfs/dbraw/zinc/08/59/80/720085980.db2.gz LDRLYLXQZUBLSH-UTKZUKDTSA-N 1 1 471.980 2.696 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164713567 720129201 /nfs/dbraw/zinc/12/92/01/720129201.db2.gz SBVGBEVWHFSJID-JOCHJYFZSA-N 1 1 463.582 2.633 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164712248 720139251 /nfs/dbraw/zinc/13/92/51/720139251.db2.gz LSVPLTRHENBXLN-FQEVSTJZSA-N 1 1 464.570 2.657 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164713609 720140403 /nfs/dbraw/zinc/14/04/03/720140403.db2.gz STSLRAVARLMBBT-HSZRJFAPSA-N 1 1 492.672 2.975 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164711217 720142675 /nfs/dbraw/zinc/14/26/75/720142675.db2.gz GDEAFLWLQMZWMO-JOCHJYFZSA-N 1 1 485.654 2.769 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164713584 720149165 /nfs/dbraw/zinc/14/91/65/720149165.db2.gz SHLPRHDETNKJJC-LJQANCHMSA-N 1 1 457.600 2.644 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164710845 720152728 /nfs/dbraw/zinc/15/27/28/720152728.db2.gz DTVPBLYFOHWLJW-QFIPXVFZSA-N 1 1 454.571 2.787 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164711811 720157327 /nfs/dbraw/zinc/15/73/27/720157327.db2.gz CFURTZRHDJYSFT-SFHVURJKSA-N 1 1 458.994 2.782 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813268 720205368 /nfs/dbraw/zinc/20/53/68/720205368.db2.gz NXEZKSXZYXSWGA-LPHOPBHVSA-N 1 1 463.978 2.868 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815250 720207291 /nfs/dbraw/zinc/20/72/91/720207291.db2.gz XXISVHJEMCBKOM-IIBYNOLFSA-N 1 1 456.418 2.805 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164811525 720208736 /nfs/dbraw/zinc/20/87/36/720208736.db2.gz JHHFJKMAXUGLGU-UHFFFAOYSA-N 1 1 470.599 2.984 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811325 720210729 /nfs/dbraw/zinc/21/07/29/720210729.db2.gz GEQNKDASTKYJNK-UHFFFAOYSA-N 1 1 484.935 2.659 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CN(Cc1ccccc1)CC3)CCC2 ZINC001164813276 720214981 /nfs/dbraw/zinc/21/49/81/720214981.db2.gz NXPWXESICJAEIH-UHFFFAOYSA-N 1 1 473.625 2.842 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CCC2 ZINC001164812097 720223179 /nfs/dbraw/zinc/22/31/79/720223179.db2.gz DGXVICUOIAUYDW-LJQANCHMSA-N 1 1 487.008 2.986 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1)OCC ZINC001164814749 720224489 /nfs/dbraw/zinc/22/44/89/720224489.db2.gz YALXIPRQIXQVCH-UHFFFAOYSA-N 1 1 479.025 2.879 20 0 JFADMO Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164817038 720241465 /nfs/dbraw/zinc/24/14/65/720241465.db2.gz ODCUEYPURGKTHG-UHFFFAOYSA-N 1 1 461.570 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817581 720276157 /nfs/dbraw/zinc/27/61/57/720276157.db2.gz DQLAZLNDBGOKDK-LLGBQNBKSA-N 1 1 494.640 2.993 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C2)C1 ZINC001164721904 720286486 /nfs/dbraw/zinc/28/64/86/720286486.db2.gz MPYDQGAFYXABNK-XMMPIXPASA-N 1 1 471.989 2.652 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)C2)C1 ZINC001164721904 720286494 /nfs/dbraw/zinc/28/64/94/720286494.db2.gz MPYDQGAFYXABNK-XMMPIXPASA-N 1 1 471.989 2.652 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164725521 720302580 /nfs/dbraw/zinc/30/25/80/720302580.db2.gz WOFMHNZNUHZMDH-OAQYLSRUSA-N 1 1 453.921 2.886 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccc(Cl)cc43)C2)C1 ZINC001164725521 720302592 /nfs/dbraw/zinc/30/25/92/720302592.db2.gz WOFMHNZNUHZMDH-OAQYLSRUSA-N 1 1 453.921 2.886 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723194 720349531 /nfs/dbraw/zinc/34/95/31/720349531.db2.gz HOQCCOSMJNHXIG-IRXDYDNUSA-N 1 1 450.921 2.760 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723194 720349533 /nfs/dbraw/zinc/34/95/33/720349533.db2.gz HOQCCOSMJNHXIG-IRXDYDNUSA-N 1 1 450.921 2.760 20 0 JFADMO Cc1nc(CN2CCN(C)C3(CCN(c4nc(N5CCCCC5)cc[nH+]4)CC3)C2=O)cs1 ZINC001164820753 720374246 /nfs/dbraw/zinc/37/42/46/720374246.db2.gz SZNULIXQRQIRAK-UHFFFAOYSA-N 1 1 455.632 2.545 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164735745 720419843 /nfs/dbraw/zinc/41/98/43/720419843.db2.gz YJWUPDYIXRMRQL-RTWAWAEBSA-N 1 1 451.552 2.921 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164729315 720427640 /nfs/dbraw/zinc/42/76/40/720427640.db2.gz GWQGTYONFRENCA-VXKWHMMOSA-N 1 1 460.563 2.917 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]21 ZINC001164835231 720510890 /nfs/dbraw/zinc/51/08/90/720510890.db2.gz JERVNZVANRLXRF-VYDXJSESSA-N 1 1 452.937 2.953 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]21 ZINC001164835235 720511091 /nfs/dbraw/zinc/51/10/91/720511091.db2.gz JERVNZVANRLXRF-ZOBUZTSGSA-N 1 1 452.937 2.953 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839608 720562127 /nfs/dbraw/zinc/56/21/27/720562127.db2.gz QVBBOAWGARICHB-OKZBNKHCSA-N 1 1 487.008 2.617 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164836347 720564450 /nfs/dbraw/zinc/56/44/50/720564450.db2.gz JPMXXGMUZZSMBD-RVKKMQEKSA-N 1 1 457.966 2.972 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)CC[C@@H]21 ZINC001164840704 720585940 /nfs/dbraw/zinc/58/59/40/720585940.db2.gz QIQSBFWXSWAFSA-VKJFTORMSA-N 1 1 488.992 2.502 20 0 JFADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)C1 ZINC001164838786 720608177 /nfs/dbraw/zinc/60/81/77/720608177.db2.gz LWDPDHZLBBSPSR-WZYRSQIMSA-N 1 1 481.645 2.830 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164835617 720611255 /nfs/dbraw/zinc/61/12/55/720611255.db2.gz BUSBROXTYNPOGP-QNWVGRARSA-N 1 1 474.675 2.980 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164835616 720611957 /nfs/dbraw/zinc/61/19/57/720611957.db2.gz BUSBROXTYNPOGP-MQSCRBSSSA-N 1 1 474.675 2.980 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCCC3)CC[C@@H]21 ZINC001164837316 720623920 /nfs/dbraw/zinc/62/39/20/720623920.db2.gz IAAHQQGDUSZXAM-FKBYEOEOSA-N 1 1 472.659 2.831 20 0 JFADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164740063 720657264 /nfs/dbraw/zinc/65/72/64/720657264.db2.gz PLIGXQOEAMXGNL-UWVGGRQHSA-N 1 1 453.721 2.512 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164737109 720662673 /nfs/dbraw/zinc/66/26/73/720662673.db2.gz DJTCXQLFEGHPMB-RTBURBONSA-N 1 1 463.973 2.778 20 0 JFADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740075 720662985 /nfs/dbraw/zinc/66/29/85/720662985.db2.gz PNTXAALTZSPVTC-QZTJIDSGSA-N 1 1 462.945 2.660 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164843381 720678202 /nfs/dbraw/zinc/67/82/02/720678202.db2.gz OZMWJGIYKOGOCB-SFHVURJKSA-N 1 1 455.584 2.621 20 0 JFADMO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164843381 720678217 /nfs/dbraw/zinc/67/82/17/720678217.db2.gz OZMWJGIYKOGOCB-SFHVURJKSA-N 1 1 455.584 2.621 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164843381 720678226 /nfs/dbraw/zinc/67/82/26/720678226.db2.gz OZMWJGIYKOGOCB-SFHVURJKSA-N 1 1 455.584 2.621 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838385 720710518 /nfs/dbraw/zinc/71/05/18/720710518.db2.gz ITWKHUSEWJKFLY-AONNBLCTSA-N 1 1 472.611 2.651 20 0 JFADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737220 720728312 /nfs/dbraw/zinc/72/83/12/720728312.db2.gz BBSNCCMSHJCLOD-HUUCEWRRSA-N 1 1 488.976 2.998 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC(=O)N3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164836150 720732230 /nfs/dbraw/zinc/73/22/30/720732230.db2.gz BILGNPJBDQPOOW-SFHVURJKSA-N 1 1 457.619 2.520 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741864 720753724 /nfs/dbraw/zinc/75/37/24/720753724.db2.gz NFSJDYMXDMQGHX-JKSUJKDBSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741864 720753734 /nfs/dbraw/zinc/75/37/34/720753734.db2.gz NFSJDYMXDMQGHX-JKSUJKDBSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740964 720754167 /nfs/dbraw/zinc/75/41/67/720754167.db2.gz LUCIAYRTFKMPAJ-HZPDHXFCSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740964 720754173 /nfs/dbraw/zinc/75/41/73/720754173.db2.gz LUCIAYRTFKMPAJ-HZPDHXFCSA-N 1 1 459.888 2.869 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745360 720811714 /nfs/dbraw/zinc/81/17/14/720811714.db2.gz JZSLBWDYOYCMSU-XYJFISCASA-N 1 1 495.962 2.823 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164745998 720816198 /nfs/dbraw/zinc/81/61/98/720816198.db2.gz XRPCNTZXBOMDLL-BRWVUGGUSA-N 1 1 466.968 2.712 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746037 720816747 /nfs/dbraw/zinc/81/67/47/720816747.db2.gz XRPCNTZXBOMDLL-IXDOHACOSA-N 1 1 466.968 2.712 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164851861 720844808 /nfs/dbraw/zinc/84/48/08/720844808.db2.gz IGUWCIDBJYWHFS-UGKGYDQZSA-N 1 1 458.006 2.819 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164851271 720845705 /nfs/dbraw/zinc/84/57/05/720845705.db2.gz GILAFLBQHXYKNS-RTBURBONSA-N 1 1 456.978 2.702 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)C1 ZINC001164743027 720846228 /nfs/dbraw/zinc/84/62/28/720846228.db2.gz IEQFBZCKTGMHDA-OYYPCOLYSA-N 1 1 463.630 2.925 20 0 JFADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)C1 ZINC001164743023 720846478 /nfs/dbraw/zinc/84/64/78/720846478.db2.gz IEQFBZCKTGMHDA-OTUUDDROSA-N 1 1 463.630 2.925 20 0 JFADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751804 720847573 /nfs/dbraw/zinc/84/75/73/720847573.db2.gz YSUUVCOYSXTROO-LGPLSSKUSA-N 1 1 499.667 2.774 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741870 720848241 /nfs/dbraw/zinc/84/82/41/720848241.db2.gz FTRKCDQMFOPHDJ-FUPPJEDESA-N 1 1 473.581 2.886 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741876 720848535 /nfs/dbraw/zinc/84/85/35/720848535.db2.gz FTRKCDQMFOPHDJ-QNWVGRARSA-N 1 1 473.581 2.886 20 0 JFADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164748280 720849437 /nfs/dbraw/zinc/84/94/37/720849437.db2.gz SVQOUZDNEHSNTJ-UNWVZKJWSA-N 1 1 487.674 2.519 20 0 JFADMO NC(=S)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc21 ZINC001164747622 720861057 /nfs/dbraw/zinc/86/10/57/720861057.db2.gz ILAZZOVJTFWGFT-JTDSTZFVSA-N 1 1 453.641 2.901 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(OC)OC)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164860140 720867890 /nfs/dbraw/zinc/86/78/90/720867890.db2.gz VMBGLHZPOMOSTJ-FXAWDEMLSA-N 1 1 464.607 2.531 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750052 720869698 /nfs/dbraw/zinc/86/96/98/720869698.db2.gz INQTVEAZCNLTFB-NBGIEHNGSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CNCC2 ZINC001164750052 720869699 /nfs/dbraw/zinc/86/96/99/720869699.db2.gz INQTVEAZCNLTFB-NBGIEHNGSA-N 1 1 469.033 2.926 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC[C@H]2C1 ZINC001164862226 720873028 /nfs/dbraw/zinc/87/30/28/720873028.db2.gz RKGFIBMDVKNICG-IRXDYDNUSA-N 1 1 453.921 2.910 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@@H]2C1 ZINC001164863698 720873745 /nfs/dbraw/zinc/87/37/45/720873745.db2.gz UACLURYRPSNAGS-SJORKVTESA-N 1 1 453.921 2.910 20 0 JFADMO COC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C(=O)OC ZINC001164755283 720874741 /nfs/dbraw/zinc/87/47/41/720874741.db2.gz VRTIJUYBVAICDA-ZBLYBZFDSA-N 1 1 494.592 2.805 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748543 720877407 /nfs/dbraw/zinc/87/74/07/720877407.db2.gz FVGSFQRPCMLSQT-NLFFAJNJSA-N 1 1 469.033 2.926 20 0 JFADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCNC2 ZINC001164748543 720877409 /nfs/dbraw/zinc/87/74/09/720877409.db2.gz FVGSFQRPCMLSQT-NLFFAJNJSA-N 1 1 469.033 2.926 20 0 JFADMO COC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1N ZINC001164755221 720882258 /nfs/dbraw/zinc/88/22/58/720882258.db2.gz VDHDQZOLAQFKDC-NBGIEHNGSA-N 1 1 451.571 2.601 20 0 JFADMO COC(=O)Cc1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756270 720883752 /nfs/dbraw/zinc/88/37/52/720883752.db2.gz OYUFWUGCHSXGOY-NLFFAJNJSA-N 1 1 486.016 2.996 20 0 JFADMO COC(=O)Cc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753950 720887021 /nfs/dbraw/zinc/88/70/21/720887021.db2.gz HXRGAKAYRAGDTC-ATIYNZHBSA-N 1 1 450.583 2.947 20 0 JFADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cn1 ZINC001164757850 720887097 /nfs/dbraw/zinc/88/70/97/720887097.db2.gz VWBZVTRTZVEKCH-OFVILXPXSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)c1nccnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758190 720889893 /nfs/dbraw/zinc/88/98/93/720889893.db2.gz XNIWAXPYUPPANO-SQJMNOBHSA-N 1 1 451.571 2.803 20 0 JFADMO CCOC(=O)Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164755374 720894482 /nfs/dbraw/zinc/89/44/82/720894482.db2.gz LMWGOBMRBQLRAP-ZEQKJWHPSA-N 1 1 465.598 2.732 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164756318 720898250 /nfs/dbraw/zinc/89/82/50/720898250.db2.gz PSDCFZXNKJEYSS-CUBQBAPOSA-N 1 1 489.620 2.881 20 0 JFADMO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164757192 720898913 /nfs/dbraw/zinc/89/89/13/720898913.db2.gz UFTMDWUGNOVBSQ-BKMJKUGQSA-N 1 1 465.598 2.732 20 0 JFADMO COC(=O)c1cc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2n1C ZINC001164753182 720906895 /nfs/dbraw/zinc/90/68/95/720906895.db2.gz QTIBFWKXSWQVJN-WXVAWEFUSA-N 1 1 490.608 2.905 20 0 JFADMO COC(=O)c1cc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2n1C ZINC001164753178 720906995 /nfs/dbraw/zinc/90/69/95/720906995.db2.gz QTIBFWKXSWQVJN-AMGIVPHBSA-N 1 1 490.608 2.905 20 0 JFADMO COC(=O)CSc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750055 720920562 /nfs/dbraw/zinc/92/05/62/720920562.db2.gz IWEIGWSISWOTGU-PXDATVDWSA-N 1 1 483.638 2.892 20 0 JFADMO Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747894 720928564 /nfs/dbraw/zinc/92/85/64/720928564.db2.gz DPJQSKQWFFEPMG-WIOPSUGQSA-N 1 1 460.586 2.516 20 0 JFADMO NC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164749145 720938117 /nfs/dbraw/zinc/93/81/17/720938117.db2.gz HXGCXEYZOZVXDJ-LVXARBLLSA-N 1 1 462.598 2.603 20 0 JFADMO NC(=O)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C2CC2)n1 ZINC001164749147 720938312 /nfs/dbraw/zinc/93/83/12/720938312.db2.gz HXGCXEYZOZVXDJ-QFQXNSOFSA-N 1 1 462.598 2.603 20 0 JFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)[C@@H]2C ZINC001164864141 720989832 /nfs/dbraw/zinc/98/98/32/720989832.db2.gz XTYWPQRCDURSCM-GFCCVEGCSA-N 1 1 462.954 2.545 20 0 JFADMO CN1C[C@@H](COCC2CC2)[C@@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O ZINC001164857277 721030216 /nfs/dbraw/zinc/03/02/16/721030216.db2.gz CEHVZOULBPNNAV-OYDLWJJNSA-N 1 1 456.631 2.902 20 0 JFADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1=O ZINC001164857276 721030667 /nfs/dbraw/zinc/03/06/67/721030667.db2.gz CEHVZOULBPNNAV-HUVFLSCGSA-N 1 1 456.631 2.902 20 0 JFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164864417 721033377 /nfs/dbraw/zinc/03/33/77/721033377.db2.gz ZIKFLJNXWDIZIR-UHFFFAOYSA-N 1 1 451.865 2.876 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164863291 721037033 /nfs/dbraw/zinc/03/70/33/721037033.db2.gz QMGBVYJGRWOWBB-JYFHCDHNSA-N 1 1 462.598 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)nc1 ZINC001164863292 721037187 /nfs/dbraw/zinc/03/71/87/721037187.db2.gz QMGBVYJGRWOWBB-OZXSUGGESA-N 1 1 462.598 2.868 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164868364 721044977 /nfs/dbraw/zinc/04/49/77/721044977.db2.gz OFPDMLJYYJSVCY-VQTJNVASSA-N 1 1 472.549 2.934 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868683 721070052 /nfs/dbraw/zinc/07/00/52/721070052.db2.gz PKNJNTKXDGTFTK-SFTDATJTSA-N 1 1 490.589 2.543 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164764475 721074964 /nfs/dbraw/zinc/07/49/64/721074964.db2.gz HUAJXEOUMRKIOL-RTBURBONSA-N 1 1 459.554 2.751 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865678 721081735 /nfs/dbraw/zinc/08/17/35/721081735.db2.gz OGAYQWDFYHZFKS-CVEARBPZSA-N 1 1 452.889 2.941 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865680 721082197 /nfs/dbraw/zinc/08/21/97/721082197.db2.gz OGAYQWDFYHZFKS-HZPDHXFCSA-N 1 1 452.889 2.941 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164766437 721084598 /nfs/dbraw/zinc/08/45/98/721084598.db2.gz KHHZGYWSSHVMNN-LEWJYISDSA-N 1 1 491.621 2.669 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164773217 721090030 /nfs/dbraw/zinc/09/00/30/721090030.db2.gz XHCKNGBVVHTIHY-IAGOWNOFSA-N 1 1 451.953 2.967 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864861 721091808 /nfs/dbraw/zinc/09/18/08/721091808.db2.gz GXIRSNNKXDTWDR-ROUUACIJSA-N 1 1 453.930 2.945 20 0 JFADMO Cc1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863533 721108379 /nfs/dbraw/zinc/10/83/79/721108379.db2.gz CSMQYVTVBKJYPV-VQTJNVASSA-N 1 1 466.611 2.711 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867315 721120814 /nfs/dbraw/zinc/12/08/14/721120814.db2.gz XUGCGTYXGXLTTE-OALUTQOASA-N 1 1 467.570 2.728 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C[C@H]3C2)cn1 ZINC001164774073 721127459 /nfs/dbraw/zinc/12/74/59/721127459.db2.gz ZUODLXPRUWZHHA-KZNAEPCWSA-N 1 1 456.982 2.871 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869806 721129609 /nfs/dbraw/zinc/12/96/09/721129609.db2.gz BUGNBUUDQCWXRC-DLBZAZTESA-N 1 1 452.889 2.941 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)CC1 ZINC001164880935 721157285 /nfs/dbraw/zinc/15/72/85/721157285.db2.gz XWUSEELUHWDTOH-DHIUTWEWSA-N 1 1 489.599 2.817 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C[C@@H]3C2)cn1 ZINC001164773952 721158300 /nfs/dbraw/zinc/15/83/00/721158300.db2.gz ZLEPWJDGUJOATK-IRLDBZIGSA-N 1 1 459.602 2.616 20 0 JFADMO Cc1cc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164762072 721159291 /nfs/dbraw/zinc/15/92/91/721159291.db2.gz BQQPVWLNXNITDI-RBUKOAKNSA-N 1 1 453.616 2.528 20 0 JFADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164875316 721171436 /nfs/dbraw/zinc/17/14/36/721171436.db2.gz KUBDBZBLSFLAAM-LOSJGSFVSA-N 1 1 472.593 2.855 20 0 JFADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164769337 721188081 /nfs/dbraw/zinc/18/80/81/721188081.db2.gz MCNKAHZHGLGORL-VXKWHMMOSA-N 1 1 472.593 2.938 20 0 JFADMO COc1ccc(Cn2cc3[nH]c(N4C[C@H]5CC[N@@H+](Cc6cnn(C)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164769330 721188138 /nfs/dbraw/zinc/18/81/38/721188138.db2.gz MCNKAHZHGLGORL-FGZHOGPDSA-N 1 1 472.593 2.938 20 0 JFADMO CNC(=O)[C@]12CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]1N(c1ncccn1)CCC2 ZINC001164866768 721204117 /nfs/dbraw/zinc/20/41/17/721204117.db2.gz CRPAAWJEYAEAMZ-UFHPHHKVSA-N 1 1 483.620 2.651 20 0 JFADMO O=C(N[C@@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)c1cnccn1 ZINC001164870907 721211742 /nfs/dbraw/zinc/21/17/42/721211742.db2.gz XIBVAOSXMJUZOT-QDPGVEIFSA-N 1 1 484.604 2.988 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761085 721226748 /nfs/dbraw/zinc/22/67/48/721226748.db2.gz HHSYXGNESNCZPK-GOTSBHOMSA-N 1 1 459.598 2.672 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164766619 721252981 /nfs/dbraw/zinc/25/29/81/721252981.db2.gz UZLPIAXQXFJOEK-AGILITTLSA-N 1 1 473.577 2.643 20 0 JFADMO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164766619 721252983 /nfs/dbraw/zinc/25/29/83/721252983.db2.gz UZLPIAXQXFJOEK-AGILITTLSA-N 1 1 473.577 2.643 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1 ZINC001164869395 721270614 /nfs/dbraw/zinc/27/06/14/721270614.db2.gz NGINKIHTCJOUDM-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC2)C1 ZINC001164872455 721275123 /nfs/dbraw/zinc/27/51/23/721275123.db2.gz DKBSLZIACQSILE-UHFFFAOYSA-N 1 1 480.588 2.626 20 0 JFADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)o2)cc1 ZINC001164874909 721287080 /nfs/dbraw/zinc/28/70/80/721287080.db2.gz FDBROHHMFKOXRW-UHFFFAOYSA-N 1 1 464.570 2.600 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3OCc3ccc(F)cc3)CC2)C1 ZINC001164878680 721288741 /nfs/dbraw/zinc/28/87/41/721288741.db2.gz SRKACQVNEIWQBG-UHFFFAOYSA-N 1 1 456.562 2.807 20 0 JFADMO CCN(c1ccccc1)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncn1 ZINC001164874968 721289447 /nfs/dbraw/zinc/28/94/47/721289447.db2.gz FSFXTFYIPBYODW-UHFFFAOYSA-N 1 1 452.603 2.642 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(C(F)F)nc4ccc(F)cc43)CC2)C1 ZINC001164879210 721289907 /nfs/dbraw/zinc/28/99/07/721289907.db2.gz XBJCYJCKIKYWAV-UHFFFAOYSA-N 1 1 451.493 2.714 20 0 JFADMO COc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc(C)n2)cc1 ZINC001164873797 721290751 /nfs/dbraw/zinc/29/07/51/721290751.db2.gz AOUNBXCRUFYWGV-UHFFFAOYSA-N 1 1 469.586 2.593 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)CC2)C1 ZINC001164877766 721291991 /nfs/dbraw/zinc/29/19/91/721291991.db2.gz OJKYIAAQGXDTMJ-UHFFFAOYSA-N 1 1 467.010 2.697 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164879965 721307465 /nfs/dbraw/zinc/30/74/65/721307465.db2.gz OFXMFDJHGGZHKK-VXKWHMMOSA-N 1 1 475.618 2.792 20 0 JFADMO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001164879965 721307469 /nfs/dbraw/zinc/30/74/69/721307469.db2.gz OFXMFDJHGGZHKK-VXKWHMMOSA-N 1 1 475.618 2.792 20 0 JFADMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)c1ccnnc1 ZINC001164880657 721321593 /nfs/dbraw/zinc/32/15/93/721321593.db2.gz YVHFXAIQXOEBAV-MAFNXUKGSA-N 1 1 484.604 2.844 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164779491 721353345 /nfs/dbraw/zinc/35/33/45/721353345.db2.gz UHGYZYVRZXJRFL-QFIPXVFZSA-N 1 1 463.941 2.841 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)c4c3C(=O)NC4)C2)C1 ZINC001164779491 721353349 /nfs/dbraw/zinc/35/33/49/721353349.db2.gz UHGYZYVRZXJRFL-QFIPXVFZSA-N 1 1 463.941 2.841 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)CC1 ZINC001164785296 721357222 /nfs/dbraw/zinc/35/72/22/721357222.db2.gz UBBASYXXVWOGSW-SANMLTNESA-N 1 1 498.628 2.590 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164781951 721379500 /nfs/dbraw/zinc/37/95/00/721379500.db2.gz KZNVANTYJNKTIU-HDYLNDSGSA-N 1 1 484.604 2.844 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164781951 721379505 /nfs/dbraw/zinc/37/95/05/721379505.db2.gz KZNVANTYJNKTIU-HDYLNDSGSA-N 1 1 484.604 2.844 20 0 JFADMO CCOC(=O)c1sc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164887874 721380725 /nfs/dbraw/zinc/38/07/25/721380725.db2.gz ISXILLDCJHBWCF-UUOWRZLLSA-N 1 1 473.643 2.942 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164886360 721381486 /nfs/dbraw/zinc/38/14/86/721381486.db2.gz FLLTXLURETUMLC-CCLHPLFOSA-N 1 1 492.624 2.825 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164885636 721384332 /nfs/dbraw/zinc/38/43/32/721384332.db2.gz CWBQDOQEQYNVQZ-IERDGZPVSA-N 1 1 487.979 2.617 20 0 JFADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884305 721384856 /nfs/dbraw/zinc/38/48/56/721384856.db2.gz AADQZBFBUCMRNG-MBSDFSHPSA-N 1 1 451.011 2.986 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2c1 ZINC001164890515 721387026 /nfs/dbraw/zinc/38/70/26/721387026.db2.gz NSLLFMATYXUZJT-HOYKHHGWSA-N 1 1 474.005 2.835 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cnc1Cl ZINC001164890996 721400435 /nfs/dbraw/zinc/40/04/35/721400435.db2.gz UWSQFTLWYASXSX-UTKZUKDTSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164883541 721404106 /nfs/dbraw/zinc/40/41/06/721404106.db2.gz APRULXQBZOYFPD-IIBYNOLFSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164886226 721412961 /nfs/dbraw/zinc/41/29/61/721412961.db2.gz IHCRQXBCAVLYLC-UUOWRZLLSA-N 1 1 474.005 2.835 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164886219 721412988 /nfs/dbraw/zinc/41/29/88/721412988.db2.gz IHCRQXBCAVLYLC-HOYKHHGWSA-N 1 1 474.005 2.835 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888353 721417897 /nfs/dbraw/zinc/41/78/97/721417897.db2.gz OKLHTCHSZSNSKL-BTYIYWSLSA-N 1 1 472.417 2.726 20 0 JFADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883467 721419187 /nfs/dbraw/zinc/41/91/87/721419187.db2.gz AARMKZBODPCDMS-DYESRHJHSA-N 1 1 472.964 2.832 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C3)O2)CC1 ZINC001164884585 721420447 /nfs/dbraw/zinc/42/04/47/721420447.db2.gz FBXMSAIMJGAIRZ-WNCULLNHSA-N 1 1 492.672 2.689 20 0 JFADMO Cc1cc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884554 721421469 /nfs/dbraw/zinc/42/14/69/721421469.db2.gz DWZAWRZMDFCQLY-CJFMBICVSA-N 1 1 486.686 2.602 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C3)O2)CC1 ZINC001164892357 721435559 /nfs/dbraw/zinc/43/55/59/721435559.db2.gz IGCBHQJTFXXQOR-LVXARBLLSA-N 1 1 465.598 2.680 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)O2)CC1 ZINC001164896151 721436694 /nfs/dbraw/zinc/43/66/94/721436694.db2.gz QSJCVGHHFZXADN-IERDGZPVSA-N 1 1 455.981 2.929 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN([C@](F)(COc4cncc(Cl)n4)C(F)F)C3)O2)CC1 ZINC001164890791 721439540 /nfs/dbraw/zinc/43/95/40/721439540.db2.gz FTPKNBBWUCVJMR-ZLGUVYLKSA-N 1 1 477.959 2.701 20 0 JFADMO COc1ccc(OC)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164891603 721441396 /nfs/dbraw/zinc/44/13/96/721441396.db2.gz HIDOTJFNIUOIBR-HFZDXXHNSA-N 1 1 467.614 2.926 20 0 JFADMO COc1ccc(OC)c(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nn2)c1 ZINC001164891606 721441505 /nfs/dbraw/zinc/44/15/05/721441505.db2.gz HIDOTJFNIUOIBR-RLWLMLJZSA-N 1 1 467.614 2.926 20 0 JFADMO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nn2)c(OC)c1OC ZINC001164899468 721444393 /nfs/dbraw/zinc/44/43/93/721444393.db2.gz YMSASMCFJLYGGN-DCFHFQCYSA-N 1 1 497.640 2.935 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164788732 721456060 /nfs/dbraw/zinc/45/60/60/721456060.db2.gz TWYGPMIZCMZHGC-GOSISDBHSA-N 1 1 467.010 2.579 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164789501 721466865 /nfs/dbraw/zinc/46/68/65/721466865.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 1 1 499.704 2.806 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164788776 721470122 /nfs/dbraw/zinc/47/01/22/721470122.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 1 1 461.676 2.764 20 0 JFADMO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c1 ZINC001164788769 721474061 /nfs/dbraw/zinc/47/40/61/721474061.db2.gz KDIXACLQBBXZLH-HXUWFJFHSA-N 1 1 451.633 2.609 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)c2)CC1 ZINC001164895129 721479507 /nfs/dbraw/zinc/47/95/07/721479507.db2.gz RBUMXXQQELTONZ-YCRNBWNJSA-N 1 1 460.594 2.604 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164807222 721537250 /nfs/dbraw/zinc/53/72/50/721537250.db2.gz QPSMPGYWYXVJHK-OPYAIIAOSA-N 1 1 494.974 2.775 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164807222 721537253 /nfs/dbraw/zinc/53/72/53/721537253.db2.gz QPSMPGYWYXVJHK-OPYAIIAOSA-N 1 1 494.974 2.775 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904675 721541712 /nfs/dbraw/zinc/54/17/12/721541712.db2.gz FXRNUNGTGPYYSU-RDJZCZTQSA-N 1 1 474.924 2.524 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904678 721541908 /nfs/dbraw/zinc/54/19/08/721541908.db2.gz FXRNUNGTGPYYSU-WBVHZDCISA-N 1 1 474.924 2.524 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164906601 721550630 /nfs/dbraw/zinc/55/06/30/721550630.db2.gz KFAHIRZPLDXBDD-HOCLYGCPSA-N 1 1 459.909 2.889 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164807274 721563288 /nfs/dbraw/zinc/56/32/88/721563288.db2.gz SFWRGIRTJVUNKN-FGTMMUONSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)[nH]1 ZINC001164807274 721563291 /nfs/dbraw/zinc/56/32/91/721563291.db2.gz SFWRGIRTJVUNKN-FGTMMUONSA-N 1 1 456.934 2.661 20 0 JFADMO CCOC(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908711 721568170 /nfs/dbraw/zinc/56/81/70/721568170.db2.gz RSTPKKBRYMEBJJ-PKOBYXMFSA-N 1 1 457.502 2.916 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)C1=O ZINC001164809299 721572884 /nfs/dbraw/zinc/57/28/84/721572884.db2.gz WGLDJKAAHWICQG-HBFSDRIKSA-N 1 1 456.978 2.757 20 0 JFADMO CC(C)N1Cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)C1=O ZINC001164809299 721572886 /nfs/dbraw/zinc/57/28/86/721572886.db2.gz WGLDJKAAHWICQG-HBFSDRIKSA-N 1 1 456.978 2.757 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1=O ZINC001164901322 721575330 /nfs/dbraw/zinc/57/53/30/721575330.db2.gz DYJVWPWETGRCDL-AEFFLSMTSA-N 1 1 455.628 2.707 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@@H]2C1=O ZINC001164902938 721575515 /nfs/dbraw/zinc/57/55/15/721575515.db2.gz NPXHBAQOVIJHIA-SCTDSRPQSA-N 1 1 469.655 2.953 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@H]2CCCO[C@H]12 ZINC001164810763 721584500 /nfs/dbraw/zinc/58/45/00/721584500.db2.gz WCIBJHRMORFPFJ-XJUOHMSHSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCCC2)[C@H]2CCCO[C@H]12 ZINC001164810763 721584502 /nfs/dbraw/zinc/58/45/02/721584502.db2.gz WCIBJHRMORFPFJ-XJUOHMSHSA-N 1 1 471.627 2.519 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1C(=O)OCC ZINC001164806912 721591267 /nfs/dbraw/zinc/59/12/67/721591267.db2.gz NQEPPTOTJXVSDC-FUPPJEDESA-N 1 1 468.554 2.698 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1C(=O)OCC ZINC001164806912 721591268 /nfs/dbraw/zinc/59/12/68/721591268.db2.gz NQEPPTOTJXVSDC-FUPPJEDESA-N 1 1 468.554 2.698 20 0 JFADMO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805949 721607560 /nfs/dbraw/zinc/60/75/60/721607560.db2.gz PYUIBJPPZUNXAN-GJZUVCINSA-N 1 1 460.582 2.686 20 0 JFADMO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)O2)c1 ZINC001164805949 721607561 /nfs/dbraw/zinc/60/75/61/721607561.db2.gz PYUIBJPPZUNXAN-GJZUVCINSA-N 1 1 460.582 2.686 20 0 JFADMO CC(C)N(C)Cc1nnc2n1CCCN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)C2 ZINC001165010843 721703669 /nfs/dbraw/zinc/70/36/69/721703669.db2.gz NLKRDMRJYARETQ-UHFFFAOYSA-N 1 1 454.579 2.820 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164907389 721712991 /nfs/dbraw/zinc/71/29/91/721712991.db2.gz RKKBWYKQPAOQIY-DEOSSOPVSA-N 1 1 486.567 2.999 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907043 721724321 /nfs/dbraw/zinc/72/43/21/721724321.db2.gz PWNRFLVWIVZUDY-NRFANRHFSA-N 1 1 465.570 2.901 20 0 JFADMO C[NH+]1CCN(c2nccc(N3C[C@@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)n2)CC1 ZINC001164913448 721742223 /nfs/dbraw/zinc/74/22/23/721742223.db2.gz VVNIQOPRFZSPPJ-HOFKKMOUSA-N 1 1 469.593 2.651 20 0 JFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2 ZINC001164907798 721748668 /nfs/dbraw/zinc/74/86/68/721748668.db2.gz AXEWYQRGQLONPS-UHFFFAOYSA-N 1 1 455.950 2.544 20 0 JFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2 ZINC001164907798 721748674 /nfs/dbraw/zinc/74/86/74/721748674.db2.gz AXEWYQRGQLONPS-UHFFFAOYSA-N 1 1 455.950 2.544 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001165012584 721748976 /nfs/dbraw/zinc/74/89/76/721748976.db2.gz KZUQUKHJNPUQRI-UHFFFAOYSA-N 1 1 459.925 2.895 20 0 JFADMO COc1cc2c(cc1Cl)ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914910 721783210 /nfs/dbraw/zinc/78/32/10/721783210.db2.gz HPBOETSQHPLYHF-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cc2c(cc1Cl)ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914910 721783212 /nfs/dbraw/zinc/78/32/12/721783212.db2.gz HPBOETSQHPLYHF-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO CCOc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2cc1OCC ZINC001164914857 721783356 /nfs/dbraw/zinc/78/33/56/721783356.db2.gz GLMPMXQVHQUKLX-SANMLTNESA-N 1 1 479.581 2.930 20 0 JFADMO CCOc1cc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2cc1OCC ZINC001164914857 721783361 /nfs/dbraw/zinc/78/33/61/721783361.db2.gz GLMPMXQVHQUKLX-SANMLTNESA-N 1 1 479.581 2.930 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164913682 721792660 /nfs/dbraw/zinc/79/26/60/721792660.db2.gz FUCASGMIPMGEDY-RUZDIDTESA-N 1 1 497.983 2.963 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164913682 721792662 /nfs/dbraw/zinc/79/26/62/721792662.db2.gz FUCASGMIPMGEDY-RUZDIDTESA-N 1 1 497.983 2.963 20 0 JFADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026437 721817137 /nfs/dbraw/zinc/81/71/37/721817137.db2.gz QGIWMAVCEMJPHE-MDNUFGMLSA-N 1 1 464.614 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@H]21 ZINC001165025096 721823804 /nfs/dbraw/zinc/82/38/04/721823804.db2.gz LPOASMLFWLGZSW-UEVCKROQSA-N 1 1 455.628 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@@H]21 ZINC001165025094 721824018 /nfs/dbraw/zinc/82/40/18/721824018.db2.gz LPOASMLFWLGZSW-AJSBUHFISA-N 1 1 455.628 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@@H]21 ZINC001165021424 721826981 /nfs/dbraw/zinc/82/69/81/721826981.db2.gz FPLBXCHTQDTMQW-AVCGJXAMSA-N 1 1 450.587 2.517 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1=O ZINC001164920941 721844100 /nfs/dbraw/zinc/84/41/00/721844100.db2.gz LWVAETSMAPWHEJ-VQTJNVASSA-N 1 1 487.670 2.994 20 0 JFADMO COc1cc(OC)nc(CN2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)n1 ZINC001165028502 721847145 /nfs/dbraw/zinc/84/71/45/721847145.db2.gz BCSAZVOMAQHMFD-UHFFFAOYSA-N 1 1 460.582 2.769 20 0 JFADMO Cn1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4COC(=O)C(C)(C)C)CC3)n1 ZINC001164933211 721905570 /nfs/dbraw/zinc/90/55/70/721905570.db2.gz JFRNBGSQUZDJAN-UHFFFAOYSA-N 1 1 481.601 2.583 20 0 JFADMO C[NH+]1CCN(Cc2cc3nc(N4CC[C@@H](c5ccncc5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165041124 721928365 /nfs/dbraw/zinc/92/83/65/721928365.db2.gz YVFKTDRWGFSYAJ-HXUWFJFHSA-N 1 1 479.654 2.664 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@H]3C2)n1 ZINC001164954795 721989765 /nfs/dbraw/zinc/98/97/65/721989765.db2.gz XFFIXGYZBBIPDD-ZWKOTPCHSA-N 1 1 480.704 2.714 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950877 722000072 /nfs/dbraw/zinc/00/00/72/722000072.db2.gz LFTXGEKZPXHRRS-MZYLBHOOSA-N 1 1 476.606 2.658 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950877 722000073 /nfs/dbraw/zinc/00/00/73/722000073.db2.gz LFTXGEKZPXHRRS-MZYLBHOOSA-N 1 1 476.606 2.658 20 0 JFADMO O=C1COC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)CN1Cc1cccnc1 ZINC001164950805 722002466 /nfs/dbraw/zinc/00/24/66/722002466.db2.gz JRUCTYJROMSFRA-UHFFFAOYSA-N 1 1 484.604 2.828 20 0 JFADMO O=C1COC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)CN1Cc1cccnc1 ZINC001164950805 722002469 /nfs/dbraw/zinc/00/24/69/722002469.db2.gz JRUCTYJROMSFRA-UHFFFAOYSA-N 1 1 484.604 2.828 20 0 JFADMO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165056147 722018971 /nfs/dbraw/zinc/01/89/71/722018971.db2.gz XHDBOHWGFIZIRC-UHFFFAOYSA-N 1 1 459.522 2.920 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001164955858 722020212 /nfs/dbraw/zinc/02/02/12/722020212.db2.gz PRGQGTSJJJXMLT-UHFFFAOYSA-N 1 1 450.587 2.754 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164960314 722047978 /nfs/dbraw/zinc/04/79/78/722047978.db2.gz UWTJFXZNWFOYAW-XQBPLPMBSA-N 1 1 495.624 2.824 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001164964302 722057306 /nfs/dbraw/zinc/05/73/06/722057306.db2.gz UOUJKFAVSWWPRY-UHFFFAOYSA-N 1 1 470.961 2.912 20 0 JFADMO CC(=O)N1[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968959 722080376 /nfs/dbraw/zinc/08/03/76/722080376.db2.gz GSHBTLYPSYDMNH-JCYRPKCISA-N 1 1 471.609 2.747 20 0 JFADMO CC(=O)N1[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968959 722080378 /nfs/dbraw/zinc/08/03/78/722080378.db2.gz GSHBTLYPSYDMNH-JCYRPKCISA-N 1 1 471.609 2.747 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4nccn4C)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164979492 722093397 /nfs/dbraw/zinc/09/33/97/722093397.db2.gz KLTKARSKJVNRQX-BBTUJRGHSA-N 1 1 495.653 2.804 20 0 JFADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2=O)cn1 ZINC001164973611 722095490 /nfs/dbraw/zinc/09/54/90/722095490.db2.gz BELJHLONLCODSA-APWZRJJASA-N 1 1 477.638 2.999 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)n1 ZINC001164981937 722095627 /nfs/dbraw/zinc/09/56/27/722095627.db2.gz PNAIHXUYEMTEFB-SJLPKXTDSA-N 1 1 453.616 2.983 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982720 722101413 /nfs/dbraw/zinc/10/14/13/722101413.db2.gz OCISFHDGSSMFEO-SJLPKXTDSA-N 1 1 481.931 2.974 20 0 JFADMO c1cc2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980703 722105435 /nfs/dbraw/zinc/10/54/35/722105435.db2.gz JYDSZVHWVMTBDF-TZIWHRDSSA-N 1 1 466.611 2.650 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982853 722105793 /nfs/dbraw/zinc/10/57/93/722105793.db2.gz PNCOLPXCWSSEOS-OALUTQOASA-N 1 1 494.974 2.634 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976130 722137693 /nfs/dbraw/zinc/13/76/93/722137693.db2.gz HJPPWULXDOUWGA-DOTOQJQBSA-N 1 1 456.934 2.520 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982114 722145767 /nfs/dbraw/zinc/14/57/67/722145767.db2.gz RDQIEKHXINRYAY-QFBILLFUSA-N 1 1 486.001 2.961 20 0 JFADMO O=C(Nc1nncs1)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982107 722145849 /nfs/dbraw/zinc/14/58/49/722145849.db2.gz RDQIEKHXINRYAY-APWZRJJASA-N 1 1 486.001 2.961 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@H]4C3)c2)CC1 ZINC001164992014 722187262 /nfs/dbraw/zinc/18/72/62/722187262.db2.gz RHWDRYYGUZJIRX-ZCYQVOJMSA-N 1 1 470.639 2.737 20 0 JFADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996821 722232036 /nfs/dbraw/zinc/23/20/36/722232036.db2.gz JZFJJNXBBSTFOG-UHFFFAOYSA-N 1 1 479.610 2.529 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc(Oc4cccc(F)c4)n2)CC3)CC1 ZINC001164996403 722235280 /nfs/dbraw/zinc/23/52/80/722235280.db2.gz GJOMZWHFPVWSTC-UHFFFAOYSA-N 1 1 470.940 2.603 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4ccccn4)n2)CC3)CC1 ZINC001165001841 722238064 /nfs/dbraw/zinc/23/80/64/722238064.db2.gz MZRSUYXIFZZIQH-UHFFFAOYSA-N 1 1 486.958 2.884 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001264510008 1059600463 /nfs/dbraw/zinc/60/04/63/1059600463.db2.gz CTFGHTNWTKCZBT-VQTJNVASSA-N 1 1 452.640 2.957 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001264509959 1059600499 /nfs/dbraw/zinc/60/04/99/1059600499.db2.gz BKCIICGXVSSGMI-QFIPXVFZSA-N 1 1 455.521 2.761 20 0 JFADMO Cc1c(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)nnn1-c1cnn(C)c1 ZINC001264538102 1059606286 /nfs/dbraw/zinc/60/62/86/1059606286.db2.gz JWVQFTBCKPOIGH-AWEZNQCLSA-N 1 1 454.510 2.514 20 0 JFADMO Cc1c(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)nnn1-c1cnn(C)c1 ZINC001264538102 1059606297 /nfs/dbraw/zinc/60/62/97/1059606297.db2.gz JWVQFTBCKPOIGH-AWEZNQCLSA-N 1 1 454.510 2.514 20 0 JFADMO C[C@@H](CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)NC(=O)OC(C)(C)C ZINC001264564951 1059615160 /nfs/dbraw/zinc/61/51/60/1059615160.db2.gz LRFFCNREPJCVQC-HNNXBMFYSA-N 1 1 452.527 2.728 20 0 JFADMO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000389801803 1059686312 /nfs/dbraw/zinc/68/63/12/1059686312.db2.gz KJEJCLIXMJWAQR-NSHDSACASA-N 1 1 453.346 2.863 20 0 JFADMO COc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc1I ZINC001264874337 1059712914 /nfs/dbraw/zinc/71/29/14/1059712914.db2.gz UPFUNJQZYJZYBL-ZDUSSCGKSA-N 1 1 451.308 2.871 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)C1 ZINC001264894820 1059720332 /nfs/dbraw/zinc/72/03/32/1059720332.db2.gz YUISVFGOEHHAFD-HNNXBMFYSA-N 1 1 451.495 2.633 20 0 JFADMO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001264914197 1059725914 /nfs/dbraw/zinc/72/59/14/1059725914.db2.gz BNRXPRFDONUOGH-FGZHOGPDSA-N 1 1 466.582 2.973 20 0 JFADMO Cc1sc(Br)nc1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265063120 1059758954 /nfs/dbraw/zinc/75/89/54/1059758954.db2.gz GDNICKMNWWAPHR-HNNXBMFYSA-N 1 1 451.390 2.841 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CCc3ccc4c(c3)OC(F)(F)O4)c2)C1 ZINC001265063819 1059759793 /nfs/dbraw/zinc/75/97/93/1059759793.db2.gz QUJSKTKNYKNLJU-IBGZPJMESA-N 1 1 459.493 2.954 20 0 JFADMO CCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001265393723 1059841275 /nfs/dbraw/zinc/84/12/75/1059841275.db2.gz GRMUJHSJQJDXHG-RTWAWAEBSA-N 1 1 450.583 2.765 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393983 1059842090 /nfs/dbraw/zinc/84/20/90/1059842090.db2.gz OPJGXPZCPFUFSE-FQEVSTJZSA-N 1 1 458.628 2.658 20 0 JFADMO Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001265482141 1059869943 /nfs/dbraw/zinc/86/99/43/1059869943.db2.gz HNRYYCPZTZWZGR-GOSISDBHSA-N 1 1 454.575 2.645 20 0 JFADMO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001265581255 1059890744 /nfs/dbraw/zinc/89/07/44/1059890744.db2.gz UJHRHWCEDUXYIG-OPAMFIHVSA-N 1 1 450.942 2.627 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 ZINC001265595644 1059894692 /nfs/dbraw/zinc/89/46/92/1059894692.db2.gz FNOUZBDOLZGAQB-AWEZNQCLSA-N 1 1 459.344 2.941 20 0 JFADMO CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836852 1059933501 /nfs/dbraw/zinc/93/35/01/1059933501.db2.gz QCDMQAZERUSZDV-GOTSBHOMSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836852 1059933524 /nfs/dbraw/zinc/93/35/24/1059933524.db2.gz QCDMQAZERUSZDV-GOTSBHOMSA-N 1 1 459.612 2.783 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286843074 1061119370 /nfs/dbraw/zinc/11/93/70/1061119370.db2.gz FNRXPVWVEXAXIQ-IBGZPJMESA-N 1 1 474.675 2.878 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286847249 1061156324 /nfs/dbraw/zinc/15/63/24/1061156324.db2.gz AWBWBBNBZMASRH-HXUWFJFHSA-N 1 1 454.623 2.694 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001286849520 1061173445 /nfs/dbraw/zinc/17/34/45/1061173445.db2.gz CWJOBEBFYZHCAW-XMMPIXPASA-N 1 1 461.614 2.701 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286852975 1061193178 /nfs/dbraw/zinc/19/31/78/1061193178.db2.gz VWNOFVYYKYWJTK-WMZOPIPTSA-N 1 1 460.573 2.934 20 0 JFADMO CC(=O)N1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCn2cc[nH+]c2C)CC1 ZINC001286861796 1061233116 /nfs/dbraw/zinc/23/31/16/1061233116.db2.gz JTQQAUOYHMQCNG-UHFFFAOYSA-N 1 1 459.501 2.810 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(=O)NCC(F)(F)F)o1 ZINC001289592450 1061233877 /nfs/dbraw/zinc/23/38/77/1061233877.db2.gz MOSXTEUIXDNYHX-UHFFFAOYSA-N 1 1 454.497 2.980 20 0 JFADMO Cc1ccc(-c2nnc(N3CCCN(Cc4noc(C)n4)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001289592516 1061234569 /nfs/dbraw/zinc/23/45/69/1061234569.db2.gz NQBLAYXETWFHBC-UHFFFAOYSA-N 1 1 456.595 2.981 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC001289593357 1061235009 /nfs/dbraw/zinc/23/50/09/1061235009.db2.gz BGMMODSTGGKCTD-FQEVSTJZSA-N 1 1 499.660 2.674 20 0 JFADMO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286862611 1061235562 /nfs/dbraw/zinc/23/55/62/1061235562.db2.gz PPCLUZGOUMBCER-VWLOTQADSA-N 1 1 476.666 2.642 20 0 JFADMO Cc1ccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CC(=O)NCC(F)F)o1 ZINC001289602598 1061248809 /nfs/dbraw/zinc/24/88/09/1061248809.db2.gz UJNYCEOOHVQDHV-UHFFFAOYSA-N 1 1 462.476 2.689 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001286867663 1061253989 /nfs/dbraw/zinc/25/39/89/1061253989.db2.gz SVZYLSYDVDMXMZ-PQNGQFLHSA-N 1 1 495.672 2.774 20 0 JFADMO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC001289615046 1061255873 /nfs/dbraw/zinc/25/58/73/1061255873.db2.gz AEBNIIUOIURBQL-LJQANCHMSA-N 1 1 457.623 2.685 20 0 JFADMO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC001289615040 1061255926 /nfs/dbraw/zinc/25/59/26/1061255926.db2.gz AEBNIIUOIURBQL-IBGZPJMESA-N 1 1 457.623 2.685 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286868515 1061257957 /nfs/dbraw/zinc/25/79/57/1061257957.db2.gz BFEWUJWDKFXDLM-RDPSFJRHSA-N 1 1 454.619 2.743 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C)CC1 ZINC001286868929 1061259777 /nfs/dbraw/zinc/25/97/77/1061259777.db2.gz CRFXISLRXZZIMV-HRAATJIYSA-N 1 1 480.535 2.912 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@H]2C)CC1 ZINC001286870821 1061267878 /nfs/dbraw/zinc/26/78/78/1061267878.db2.gz KNCBXTSSONRKQR-YLJYHZDGSA-N 1 1 477.057 2.505 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870917 1061269219 /nfs/dbraw/zinc/26/92/19/1061269219.db2.gz LSJHOUULSFXBSW-CEMLEFRQSA-N 1 1 478.707 2.550 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@H]2C)CC1 ZINC001286871451 1061273276 /nfs/dbraw/zinc/27/32/76/1061273276.db2.gz OKVVKZRRDBYKQF-XMSQKQJNSA-N 1 1 473.691 2.863 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@H]2C)CC1 ZINC001286872371 1061277928 /nfs/dbraw/zinc/27/79/28/1061277928.db2.gz UYFVKNMTXBDGCZ-KNQAVFIVSA-N 1 1 453.635 2.592 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@H]2C)CC1 ZINC001286872539 1061278849 /nfs/dbraw/zinc/27/88/49/1061278849.db2.gz WAAGZZPEMODFQN-TZIWHRDSSA-N 1 1 460.667 2.771 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@@H]2C)CC1 ZINC001286872723 1061279897 /nfs/dbraw/zinc/27/98/97/1061279897.db2.gz XFYUPFWGTLESQA-LAUBAEHRSA-N 1 1 459.664 2.753 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@@H]2C)CC1 ZINC001286872767 1061280928 /nfs/dbraw/zinc/28/09/28/1061280928.db2.gz XQVYOALHGMXOHD-SWHJIRTISA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCOC3)C[C@@H]2C)CC1 ZINC001286872805 1061281896 /nfs/dbraw/zinc/28/18/96/1061281896.db2.gz YJPMGICZMGHKCR-ILWGZMRPSA-N 1 1 460.667 2.672 20 0 JFADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001289662301 1061282765 /nfs/dbraw/zinc/28/27/65/1061282765.db2.gz LNXWWSJFPRXYSM-NZQKXSOJSA-N 1 1 497.669 2.598 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872950 1061283214 /nfs/dbraw/zinc/28/32/14/1061283214.db2.gz ZEWBJKJCNJRTFR-WMZHIEFXSA-N 1 1 468.646 3.000 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286873391 1061286187 /nfs/dbraw/zinc/28/61/87/1061286187.db2.gz ZNIATKMTGIEYEI-CUNXSJBXSA-N 1 1 498.672 2.898 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286877630 1061295964 /nfs/dbraw/zinc/29/59/64/1061295964.db2.gz YODNVPRAWQBUHR-KRWDZBQOSA-N 1 1 492.043 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286877630 1061295982 /nfs/dbraw/zinc/29/59/82/1061295982.db2.gz YODNVPRAWQBUHR-KRWDZBQOSA-N 1 1 492.043 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286877630 1061296001 /nfs/dbraw/zinc/29/60/01/1061296001.db2.gz YODNVPRAWQBUHR-KRWDZBQOSA-N 1 1 492.043 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001286882785 1061310794 /nfs/dbraw/zinc/31/07/94/1061310794.db2.gz IZDDBYPMWZCNBN-LEWJYISDSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC001289704606 1061316576 /nfs/dbraw/zinc/31/65/76/1061316576.db2.gz MZDABGJEWKOZBR-IBGZPJMESA-N 1 1 458.582 2.566 20 0 JFADMO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706914 1061317494 /nfs/dbraw/zinc/31/74/94/1061317494.db2.gz ZHIZXLKZTRFUOZ-DENIHFKCSA-N 1 1 472.609 2.809 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001286884478 1061318926 /nfs/dbraw/zinc/31/89/26/1061318926.db2.gz PYQSCRRGIJLALL-QGZVFWFLSA-N 1 1 459.664 2.955 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@H](C)C1 ZINC001286884549 1061319238 /nfs/dbraw/zinc/31/92/38/1061319238.db2.gz ULLJKTXZTUMXEH-VWNXMTODSA-N 1 1 498.672 2.888 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC001286884974 1061322071 /nfs/dbraw/zinc/32/20/71/1061322071.db2.gz SLISJZGQEUZBHI-FXAWDEMLSA-N 1 1 459.664 2.811 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2=O)cc1 ZINC001289716629 1061324490 /nfs/dbraw/zinc/32/44/90/1061324490.db2.gz OCCLFFWRLDCIPC-JOCHJYFZSA-N 1 1 468.646 2.974 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886423 1061329168 /nfs/dbraw/zinc/32/91/68/1061329168.db2.gz CTQGPPFRROHNQY-FPOVZHCZSA-N 1 1 491.681 2.695 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001286886851 1061332153 /nfs/dbraw/zinc/33/21/53/1061332153.db2.gz JPKWFPKGIJCWFQ-HYBUGGRVSA-N 1 1 483.661 2.843 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3cnn(CC(C)C)c3C)C[C@@H]2C)CC1 ZINC001286886972 1061332230 /nfs/dbraw/zinc/33/22/30/1061332230.db2.gz LGHSECPKHWLRKZ-RDPSFJRHSA-N 1 1 484.693 2.675 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001289726392 1061334204 /nfs/dbraw/zinc/33/42/04/1061334204.db2.gz RBDCLDCYXBCYHZ-HSZRJFAPSA-N 1 1 484.645 2.857 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC(=O)Nc3ccccc3)C[C@@H]2C)CC1 ZINC001286887179 1061334635 /nfs/dbraw/zinc/33/46/35/1061334635.db2.gz OLWOTIJXZRFPHZ-SIKLNZKXSA-N 1 1 481.645 2.593 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC(=O)Nc3ccccc3)C[C@H]2C)CC1 ZINC001286887178 1061334712 /nfs/dbraw/zinc/33/47/12/1061334712.db2.gz OLWOTIJXZRFPHZ-KNQAVFIVSA-N 1 1 481.645 2.593 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(N(C)C)c3)C[C@@H]2C)CC1 ZINC001286887231 1061334895 /nfs/dbraw/zinc/33/48/95/1061334895.db2.gz POQAXBLGMAAEQC-GBXCKJPGSA-N 1 1 481.689 2.970 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC001289727895 1061337185 /nfs/dbraw/zinc/33/71/85/1061337185.db2.gz VEXSWVHILPBIMT-HXUWFJFHSA-N 1 1 481.645 2.840 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC001286887861 1061339006 /nfs/dbraw/zinc/33/90/06/1061339006.db2.gz HAOPDTRDASTTFQ-OHUMZHCVSA-N 1 1 490.693 2.755 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001286888628 1061342229 /nfs/dbraw/zinc/34/22/29/1061342229.db2.gz ZTYVRUCQIRFUGT-QPPBQGQZSA-N 1 1 482.673 2.603 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286888709 1061342818 /nfs/dbraw/zinc/34/28/18/1061342818.db2.gz QCDLWIYHFMJCPC-AQNXPRMDSA-N 1 1 488.608 2.553 20 0 JFADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286888729 1061343130 /nfs/dbraw/zinc/34/31/30/1061343130.db2.gz QMYVGBVJNZLVDL-NRFANRHFSA-N 1 1 499.729 2.962 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001289739707 1061353592 /nfs/dbraw/zinc/35/35/92/1061353592.db2.gz KGOSNFZKDZLIOJ-OAQYLSRUSA-N 1 1 481.645 2.982 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001289740238 1061354038 /nfs/dbraw/zinc/35/40/38/1061354038.db2.gz MESHDXHJYJOFSN-UHFFFAOYSA-N 1 1 476.647 2.502 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001289740238 1061354055 /nfs/dbraw/zinc/35/40/55/1061354055.db2.gz MESHDXHJYJOFSN-UHFFFAOYSA-N 1 1 476.647 2.502 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)cc1C ZINC001289740779 1061355559 /nfs/dbraw/zinc/35/55/59/1061355559.db2.gz PXDVMXIYXNQBKD-HXUWFJFHSA-N 1 1 481.645 2.936 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001286890585 1061356194 /nfs/dbraw/zinc/35/61/94/1061356194.db2.gz AVVNWTBVSRINNV-UHFFFAOYSA-N 1 1 498.429 2.903 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289741240 1061356627 /nfs/dbraw/zinc/35/66/27/1061356627.db2.gz TZQVHECFLJHTFC-XLIONFOSSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286891140 1061356979 /nfs/dbraw/zinc/35/69/79/1061356979.db2.gz DUYZOYCDXGAZFH-UHFFFAOYSA-N 1 1 463.508 2.979 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3)nnc2N(CCCCO)C2CC2)CC1 ZINC001286891120 1061358699 /nfs/dbraw/zinc/35/86/99/1061358699.db2.gz UZXYAJUGODOCFC-UHFFFAOYSA-N 1 1 461.010 2.504 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)O)CC1 ZINC001289744068 1061361572 /nfs/dbraw/zinc/36/15/72/1061361572.db2.gz USAPDTCCOQDPFK-UHFFFAOYSA-N 1 1 494.644 2.591 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+]3CCCO)C2)nc1 ZINC001289746531 1061364159 /nfs/dbraw/zinc/36/41/59/1061364159.db2.gz ABALBPLPNOSXMT-LEWJYISDSA-N 1 1 469.634 2.807 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(F)cc3Br)nnc2N(C)C2CC2)CC1 ZINC001286892424 1061364434 /nfs/dbraw/zinc/36/44/34/1061364434.db2.gz VQWJLYNWLFGNFL-UHFFFAOYSA-N 1 1 465.371 2.609 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+]3CCOCC3)C2)nc1 ZINC001289746867 1061365088 /nfs/dbraw/zinc/36/50/88/1061365088.db2.gz DRBIWODJVHKUIV-HXUWFJFHSA-N 1 1 469.634 2.856 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289747104 1061366142 /nfs/dbraw/zinc/36/61/42/1061366142.db2.gz GNFFDAOHLLJWET-LJQANCHMSA-N 1 1 463.590 2.634 20 0 JFADMO CC(=O)Nc1ccc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001286892790 1061366921 /nfs/dbraw/zinc/36/69/21/1061366921.db2.gz VYWJLGGDMXJOOS-HSZRJFAPSA-N 1 1 484.645 2.920 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289748042 1061367452 /nfs/dbraw/zinc/36/74/52/1061367452.db2.gz WNCKLUBJIMUQCI-PMAPCBKXSA-N 1 1 458.632 2.544 20 0 JFADMO CC(=O)Nc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC001286894999 1061373723 /nfs/dbraw/zinc/37/37/23/1061373723.db2.gz DCEZXAHIHVQKQC-OAQYLSRUSA-N 1 1 485.633 2.716 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001289752975 1061375037 /nfs/dbraw/zinc/37/50/37/1061375037.db2.gz GPHYWEGVZHEGKZ-UHFFFAOYSA-N 1 1 463.586 2.834 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286896399 1061379513 /nfs/dbraw/zinc/37/95/13/1061379513.db2.gz DBUSGTZPBQGLGE-HWELCPFYSA-N 1 1 496.660 2.929 20 0 JFADMO Cc1ccc(O[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001289761086 1061383408 /nfs/dbraw/zinc/38/34/08/1061383408.db2.gz XGALFOMZJOAZFA-RBBKRZOGSA-N 1 1 484.645 2.800 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286897976 1061384160 /nfs/dbraw/zinc/38/41/60/1061384160.db2.gz UPKVAQCTIYQXLF-RVEPMOMFSA-N 1 1 496.660 2.929 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766440 1061387492 /nfs/dbraw/zinc/38/74/92/1061387492.db2.gz IXJSLMOCRVDUQK-NRFANRHFSA-N 1 1 478.588 2.776 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289775609 1061398402 /nfs/dbraw/zinc/39/84/02/1061398402.db2.gz RZWTUQNXSADLTG-HXUWFJFHSA-N 1 1 484.645 2.501 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286904897 1061415259 /nfs/dbraw/zinc/41/52/59/1061415259.db2.gz WJNKCROYKPVROK-UHFFFAOYSA-N 1 1 458.607 2.841 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001286904942 1061415457 /nfs/dbraw/zinc/41/54/57/1061415457.db2.gz WZWDDQZVVCLRHU-UHFFFAOYSA-N 1 1 490.052 2.988 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001286904942 1061415473 /nfs/dbraw/zinc/41/54/73/1061415473.db2.gz WZWDDQZVVCLRHU-UHFFFAOYSA-N 1 1 490.052 2.988 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286905268 1061418137 /nfs/dbraw/zinc/41/81/37/1061418137.db2.gz ZAIZWMICAWWZPF-RFLLHJHLSA-N 1 1 490.693 2.943 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001286906765 1061430682 /nfs/dbraw/zinc/43/06/82/1061430682.db2.gz GLZUMGLEWITZEQ-FCHUYYIVSA-N 1 1 475.037 2.940 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289802171 1061438872 /nfs/dbraw/zinc/43/88/72/1061438872.db2.gz GRIGOGDINLKWNE-NBGIEHNGSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCCCO)cc1C ZINC001289803915 1061440921 /nfs/dbraw/zinc/44/09/21/1061440921.db2.gz WMQPWLCOEWSOEJ-RUZDIDTESA-N 1 1 457.619 2.938 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001286910198 1061455192 /nfs/dbraw/zinc/45/51/92/1061455192.db2.gz DGSCFAAKZRUWJN-ISKFKSNPSA-N 1 1 484.645 2.627 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286910520 1061458057 /nfs/dbraw/zinc/45/80/57/1061458057.db2.gz CWAPXNGIVJFBCS-DENIHFKCSA-N 1 1 456.639 2.509 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286911693 1061464835 /nfs/dbraw/zinc/46/48/35/1061464835.db2.gz KLFYJWXHAQFFFT-FQEVSTJZSA-N 1 1 491.036 2.726 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289818153 1061474302 /nfs/dbraw/zinc/47/43/02/1061474302.db2.gz KOYMAAQHROUUKI-IFMALSPDSA-N 1 1 475.659 2.972 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001289824926 1061493326 /nfs/dbraw/zinc/49/33/26/1061493326.db2.gz SCKBTGKTWVEPQK-QHCPKHFHSA-N 1 1 497.688 2.640 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286916670 1061500796 /nfs/dbraw/zinc/50/07/96/1061500796.db2.gz PVDGEKIPWYHRPI-SANMLTNESA-N 1 1 484.645 2.556 20 0 JFADMO CC(=O)NC1CCN(c2nnc(CCOc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918686 1061506876 /nfs/dbraw/zinc/50/68/76/1061506876.db2.gz AUCIQKHGEBNOLA-OYRHEFFESA-N 1 1 484.645 2.504 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289832997 1061509297 /nfs/dbraw/zinc/50/92/97/1061509297.db2.gz CIEPGQUCQDQONJ-GHTZIAJQSA-N 1 1 475.659 2.829 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286919663 1061510774 /nfs/dbraw/zinc/51/07/74/1061510774.db2.gz KDLXOYHBVUAZTA-XMMPIXPASA-N 1 1 498.672 2.936 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286920074 1061512598 /nfs/dbraw/zinc/51/25/98/1061512598.db2.gz ZRPBTMUJQNXKSC-FQEVSTJZSA-N 1 1 461.614 2.889 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289836656 1061513229 /nfs/dbraw/zinc/51/32/29/1061513229.db2.gz YPENWBUDIKHJEY-IRLDBZIGSA-N 1 1 454.619 2.777 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001286921254 1061516217 /nfs/dbraw/zinc/51/62/17/1061516217.db2.gz BGOUYZHZAFYYQR-UHFFFAOYSA-N 1 1 458.994 2.877 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286922064 1061519854 /nfs/dbraw/zinc/51/98/54/1061519854.db2.gz PZJCOIKKGPXKIB-FGZHOGPDSA-N 1 1 496.660 2.646 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286922067 1061520399 /nfs/dbraw/zinc/52/03/99/1061520399.db2.gz PZJCOIKKGPXKIB-VXKWHMMOSA-N 1 1 496.660 2.646 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286923942 1061528319 /nfs/dbraw/zinc/52/83/19/1061528319.db2.gz UEONACUYCSPXEB-AZUAARDMSA-N 1 1 454.623 2.598 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286923945 1061528451 /nfs/dbraw/zinc/52/84/51/1061528451.db2.gz UEONACUYCSPXEB-UYAOXDASSA-N 1 1 454.623 2.598 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001286924476 1061530439 /nfs/dbraw/zinc/53/04/39/1061530439.db2.gz ZYWVSBPVRVVLIX-ICSRJNTNSA-N 1 1 456.639 2.542 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001286924604 1061531068 /nfs/dbraw/zinc/53/10/68/1061531068.db2.gz BJGMUAITKIKSLY-DHIUTWEWSA-N 1 1 470.666 2.613 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924618 1061531585 /nfs/dbraw/zinc/53/15/85/1061531585.db2.gz BODFHBXKSKIZKX-UKILVPOCSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286925294 1061534097 /nfs/dbraw/zinc/53/40/97/1061534097.db2.gz GQBHVXOPDYTFDR-BHDDXSALSA-N 1 1 490.693 2.660 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286925294 1061534107 /nfs/dbraw/zinc/53/41/07/1061534107.db2.gz GQBHVXOPDYTFDR-BHDDXSALSA-N 1 1 490.693 2.660 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCC[NH+]2CCOCC2)cc1 ZINC001289860636 1061541587 /nfs/dbraw/zinc/54/15/87/1061541587.db2.gz FPSWHRAZOZCFLO-UHFFFAOYSA-N 1 1 474.675 2.952 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001289875979 1061559186 /nfs/dbraw/zinc/55/91/86/1061559186.db2.gz QSEPCOMDOZIVGV-UHFFFAOYSA-N 1 1 480.704 2.691 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286933923 1061567191 /nfs/dbraw/zinc/56/71/91/1061567191.db2.gz BNXGFUKZQNOELR-XMMPIXPASA-N 1 1 486.636 2.717 20 0 JFADMO CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001286934254 1061568176 /nfs/dbraw/zinc/56/81/76/1061568176.db2.gz DJJRJSRGLWTRQD-FGZHOGPDSA-N 1 1 458.651 2.811 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294095056 1061573424 /nfs/dbraw/zinc/57/34/24/1061573424.db2.gz MQNWGRRQEPSFSW-NRFANRHFSA-N 1 1 453.591 2.854 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001294096668 1061575420 /nfs/dbraw/zinc/57/54/20/1061575420.db2.gz WDKQSIOBGAHFNG-IBGZPJMESA-N 1 1 459.620 2.916 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294099285 1061580149 /nfs/dbraw/zinc/58/01/49/1061580149.db2.gz MHRIYMMFOMXLNY-PIXQIBFHSA-N 1 1 493.693 2.939 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286940609 1061584044 /nfs/dbraw/zinc/58/40/44/1061584044.db2.gz FIDLZXFBOCZBGH-UTKZUKDTSA-N 1 1 461.010 2.672 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2CCn2cc[nH+]c2C)CC1 ZINC001294105468 1061586703 /nfs/dbraw/zinc/58/67/03/1061586703.db2.gz XVRBNODUQXDHMP-UHFFFAOYSA-N 1 1 451.579 2.606 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)n1 ZINC001289904659 1061592044 /nfs/dbraw/zinc/59/20/44/1061592044.db2.gz CTLGGFZRLJIQSM-FGTMMUONSA-N 1 1 457.604 2.680 20 0 JFADMO Cc1cc(N2CCC(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccnc3)CC2)nc(C)[nH+]1 ZINC001294125953 1061608720 /nfs/dbraw/zinc/60/87/20/1061608720.db2.gz GBNTWIWXGYSYHW-QHCPKHFHSA-N 1 1 458.566 2.615 20 0 JFADMO Cc1cc(N2CCC(NC(=O)c3[nH]nc4c3CN(C(=O)OC(C)(C)C)CC4)CC2)nc(C)[nH+]1 ZINC001294126839 1061610015 /nfs/dbraw/zinc/61/00/15/1061610015.db2.gz JZSKJXNKTOYDAD-UHFFFAOYSA-N 1 1 455.563 2.509 20 0 JFADMO Cc1cc(N2CCC(NC(=O)c3cc(I)ccc3O)CC2)nc(C)[nH+]1 ZINC001294129583 1061610852 /nfs/dbraw/zinc/61/08/52/1061610852.db2.gz VTMZZPGZBRLGOG-UHFFFAOYSA-N 1 1 452.296 2.802 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001289921675 1061613808 /nfs/dbraw/zinc/61/38/08/1061613808.db2.gz HRAPEKASDHXPFI-INIZCTEOSA-N 1 1 478.523 2.758 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001289929095 1061618575 /nfs/dbraw/zinc/61/85/75/1061618575.db2.gz PKJGGCQFIJNMLA-UHFFFAOYSA-N 1 1 469.634 2.502 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001289929095 1061618587 /nfs/dbraw/zinc/61/85/87/1061618587.db2.gz PKJGGCQFIJNMLA-UHFFFAOYSA-N 1 1 469.634 2.502 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286945233 1061621361 /nfs/dbraw/zinc/62/13/61/1061621361.db2.gz WIOULZVGEYGQOW-KNQAVFIVSA-N 1 1 469.634 2.502 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001289931072 1061622336 /nfs/dbraw/zinc/62/23/36/1061622336.db2.gz GIZRWCLIVJSZFP-QFIPXVFZSA-N 1 1 463.630 2.937 20 0 JFADMO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001294138489 1061623867 /nfs/dbraw/zinc/62/38/67/1061623867.db2.gz RYPPYBUZOBMBLQ-NHCUHLMSSA-N 1 1 492.665 2.935 20 0 JFADMO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294140204 1061627349 /nfs/dbraw/zinc/62/73/49/1061627349.db2.gz ZEFFHKWOLREWIV-WOJBJXKFSA-N 1 1 480.654 2.934 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286946194 1061630976 /nfs/dbraw/zinc/63/09/76/1061630976.db2.gz JSBHQQDCVUGIGE-ZILOHOTNSA-N 1 1 468.646 2.639 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286946186 1061631011 /nfs/dbraw/zinc/63/10/11/1061631011.db2.gz JSBHQQDCVUGIGE-XZDHIHRUSA-N 1 1 468.646 2.639 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CCS(C)(=O)=O)n1 ZINC001289950057 1061642578 /nfs/dbraw/zinc/64/25/78/1061642578.db2.gz FCVTULAWQGLFQD-FQEVSTJZSA-N 1 1 468.627 2.794 20 0 JFADMO CCCCN(C)C(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001294164425 1061654040 /nfs/dbraw/zinc/65/40/40/1061654040.db2.gz MOEACDARHBRSKB-UHFFFAOYSA-N 1 1 494.644 2.662 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286948247 1061656391 /nfs/dbraw/zinc/65/63/91/1061656391.db2.gz VAVOAHGFVZKWHL-LJQANCHMSA-N 1 1 481.066 2.905 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948577 1061661661 /nfs/dbraw/zinc/66/16/61/1061661661.db2.gz SUECKZZGWZLOFV-HSZRJFAPSA-N 1 1 468.646 2.641 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001286948769 1061662781 /nfs/dbraw/zinc/66/27/81/1061662781.db2.gz WGEIOPLZLKZIRA-FYYLOGMGSA-N 1 1 489.064 2.984 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286948788 1061663794 /nfs/dbraw/zinc/66/37/94/1061663794.db2.gz WVAYOCCAWAAHGF-NZQKXSOJSA-N 1 1 498.031 2.562 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC001286948772 1061663955 /nfs/dbraw/zinc/66/39/55/1061663955.db2.gz WGEIOPLZLKZIRA-JTHBVZDNSA-N 1 1 489.064 2.984 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)n1 ZINC001289972423 1061679916 /nfs/dbraw/zinc/67/99/16/1061679916.db2.gz LPRQTFVGOKIUIE-UHFFFAOYSA-N 1 1 453.513 2.638 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978923 1061699568 /nfs/dbraw/zinc/69/95/68/1061699568.db2.gz HWUPCJQGUSOIKO-ATIYNZHBSA-N 1 1 483.661 2.579 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001289979163 1061699700 /nfs/dbraw/zinc/69/97/00/1061699700.db2.gz IXGUACXVVLMCTI-NRFANRHFSA-N 1 1 498.676 2.516 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980356 1061701427 /nfs/dbraw/zinc/70/14/27/1061701427.db2.gz WKQQDZHWIGNICX-QGZVFWFLSA-N 1 1 483.564 2.644 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001289980826 1061702640 /nfs/dbraw/zinc/70/26/40/1061702640.db2.gz JVYSFMJCLYHJNJ-SFHVURJKSA-N 1 1 481.567 2.832 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001289980826 1061702664 /nfs/dbraw/zinc/70/26/64/1061702664.db2.gz JVYSFMJCLYHJNJ-SFHVURJKSA-N 1 1 481.567 2.832 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001289982964 1061705400 /nfs/dbraw/zinc/70/54/00/1061705400.db2.gz IJLHHUGIZUTVKS-LJQANCHMSA-N 1 1 481.567 2.834 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCC(=O)N(C)C)n1 ZINC001289984863 1061707930 /nfs/dbraw/zinc/70/79/30/1061707930.db2.gz AUQNLJSXIKCEJG-UHFFFAOYSA-N 1 1 451.550 2.588 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001294209854 1061713065 /nfs/dbraw/zinc/71/30/65/1061713065.db2.gz BWFCQOLMCJVQPW-UHFFFAOYSA-N 1 1 490.052 2.764 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294209649 1061713347 /nfs/dbraw/zinc/71/33/47/1061713347.db2.gz XRZNJVMLBGMCHZ-YTTGMZPUSA-N 1 1 459.664 2.985 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnn(C)n2)CC1 ZINC001294210349 1061714016 /nfs/dbraw/zinc/71/40/16/1061714016.db2.gz KBVGTMDNZJOOCT-UHFFFAOYSA-N 1 1 473.576 2.667 20 0 JFADMO CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001286956851 1061717384 /nfs/dbraw/zinc/71/73/84/1061717384.db2.gz WLBJDYVFTQHUJX-UHFFFAOYSA-N 1 1 467.643 2.872 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 ZINC001294214602 1061723221 /nfs/dbraw/zinc/72/32/21/1061723221.db2.gz JGWGLXUCVFLARC-UHFFFAOYSA-N 1 1 450.591 2.802 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294215102 1061723862 /nfs/dbraw/zinc/72/38/62/1061723862.db2.gz QHGXLYMUYAAOAF-ROUUACIJSA-N 1 1 459.570 2.503 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001290002275 1061727074 /nfs/dbraw/zinc/72/70/74/1061727074.db2.gz RWICUKWIRWXROB-IFMALSPDSA-N 1 1 454.619 2.687 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294217245 1061727172 /nfs/dbraw/zinc/72/71/72/1061727172.db2.gz FNMSZBSALJGTBI-PMACEKPBSA-N 1 1 470.618 2.942 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C2)c1 ZINC001290002278 1061727293 /nfs/dbraw/zinc/72/72/93/1061727293.db2.gz RWICUKWIRWXROB-UNMCSNQZSA-N 1 1 454.619 2.687 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294217295 1061728187 /nfs/dbraw/zinc/72/81/87/1061728187.db2.gz QEUOZDQIUFIOTO-AWEZNQCLSA-N 1 1 482.452 2.715 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001290002689 1061728495 /nfs/dbraw/zinc/72/84/95/1061728495.db2.gz VBUNRLDKLPZUKR-PZJWPPBQSA-N 1 1 462.664 2.921 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294217699 1061728779 /nfs/dbraw/zinc/72/87/79/1061728779.db2.gz JZOGOFCLXVFWMV-DEOSSOPVSA-N 1 1 491.658 2.709 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294218794 1061729653 /nfs/dbraw/zinc/72/96/53/1061729653.db2.gz FTONPPCTLUOZBL-IBGZPJMESA-N 1 1 451.575 2.862 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294218621 1061729883 /nfs/dbraw/zinc/72/98/83/1061729883.db2.gz DUVPYPNFUUXWFJ-UHFFFAOYSA-N 1 1 455.636 2.813 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286959755 1061730765 /nfs/dbraw/zinc/73/07/65/1061730765.db2.gz YJPDWYSPSVGNOJ-IBGZPJMESA-N 1 1 483.642 2.573 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286959755 1061730788 /nfs/dbraw/zinc/73/07/88/1061730788.db2.gz YJPDWYSPSVGNOJ-IBGZPJMESA-N 1 1 483.642 2.573 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294219617 1061731320 /nfs/dbraw/zinc/73/13/20/1061731320.db2.gz ZRRRNMHICDINTH-XMMPIXPASA-N 1 1 491.658 2.709 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294225142 1061736852 /nfs/dbraw/zinc/73/68/52/1061736852.db2.gz BDBVMIHZKISBNC-SFHVURJKSA-N 1 1 474.572 2.799 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294226345 1061738777 /nfs/dbraw/zinc/73/87/77/1061738777.db2.gz SYYHMZZIWYUYAY-UXHICEINSA-N 1 1 492.665 2.766 20 0 JFADMO CCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226272 1061738966 /nfs/dbraw/zinc/73/89/66/1061738966.db2.gz RNNJPIOOIDLVKY-PKTZIBPZSA-N 1 1 494.750 2.860 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294226564 1061739688 /nfs/dbraw/zinc/73/96/88/1061739688.db2.gz WLDYSEUAMSJYBM-IBGZPJMESA-N 1 1 491.681 2.791 20 0 JFADMO Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001290016899 1061740255 /nfs/dbraw/zinc/74/02/55/1061740255.db2.gz OSHMNMQQNHHFEP-NRFANRHFSA-N 1 1 497.669 2.547 20 0 JFADMO CCCC[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001294229252 1061745851 /nfs/dbraw/zinc/74/58/51/1061745851.db2.gz MGVSKJCQVYZSTG-OAQYLSRUSA-N 1 1 458.582 2.849 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294230054 1061747358 /nfs/dbraw/zinc/74/73/58/1061747358.db2.gz UNCDFKSYLRHLIN-HSZRJFAPSA-N 1 1 479.622 2.743 20 0 JFADMO CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+](C)CC1 ZINC001290031951 1061748468 /nfs/dbraw/zinc/74/84/68/1061748468.db2.gz ALIDQWZMRUBZKB-MRXNPFEDSA-N 1 1 454.445 2.558 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001294233655 1061748797 /nfs/dbraw/zinc/74/87/97/1061748797.db2.gz WZVVANFNXMRKNV-MZLICYQSSA-N 1 1 465.639 2.508 20 0 JFADMO CCOc1ccc(-n2c(SCC(=O)N3CCC[N@@H+](C)CC3)nnc2-c2cccnc2)cc1 ZINC001290032196 1061748991 /nfs/dbraw/zinc/74/89/91/1061748991.db2.gz FCVSJHDYRHXWLA-UHFFFAOYSA-N 1 1 452.584 2.984 20 0 JFADMO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286972323 1061752942 /nfs/dbraw/zinc/75/29/42/1061752942.db2.gz QRCDGZGVVUQKGZ-OAQYLSRUSA-N 1 1 473.710 2.973 20 0 JFADMO Cc1cccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)CC2)c1C ZINC001290037338 1061753922 /nfs/dbraw/zinc/75/39/22/1061753922.db2.gz LCDUQCNOQIRNJK-NRFANRHFSA-N 1 1 491.706 2.562 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001290043854 1061760223 /nfs/dbraw/zinc/76/02/23/1061760223.db2.gz FGEWWJZDDZBOSQ-ZCNNSNEGSA-N 1 1 463.648 2.908 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001290047379 1061767129 /nfs/dbraw/zinc/76/71/29/1061767129.db2.gz QPYQQBQRPGWYCY-HXUWFJFHSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001290047379 1061767146 /nfs/dbraw/zinc/76/71/46/1061767146.db2.gz QPYQQBQRPGWYCY-HXUWFJFHSA-N 1 1 475.659 2.911 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCCNC(=O)C(C)C)c1 ZINC001290058024 1061777691 /nfs/dbraw/zinc/77/76/91/1061777691.db2.gz BPOZVSMGASBDDI-SANMLTNESA-N 1 1 484.645 2.629 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCCC1 ZINC001286976918 1061787823 /nfs/dbraw/zinc/78/78/23/1061787823.db2.gz KEOHYUJWUPUWLR-RTBURBONSA-N 1 1 458.632 2.635 20 0 JFADMO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001286977301 1061789743 /nfs/dbraw/zinc/78/97/43/1061789743.db2.gz KVBYSTVFJIVTMA-QFIPXVFZSA-N 1 1 486.636 2.550 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290066016 1061790460 /nfs/dbraw/zinc/79/04/60/1061790460.db2.gz YCNPUSUBCVXTAE-FQEVSTJZSA-N 1 1 496.578 2.818 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290067344 1061792363 /nfs/dbraw/zinc/79/23/63/1061792363.db2.gz YDKAUVSHUZLSHR-BHIFYINESA-N 1 1 484.645 2.757 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294308428 1061796004 /nfs/dbraw/zinc/79/60/04/1061796004.db2.gz KPSWJBGCYMFQNN-PKTZIBPZSA-N 1 1 453.635 2.590 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001290071216 1061796932 /nfs/dbraw/zinc/79/69/32/1061796932.db2.gz KBZQFLMKITYKSY-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001290071216 1061796952 /nfs/dbraw/zinc/79/69/52/1061796952.db2.gz KBZQFLMKITYKSY-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 ZINC001294308966 1061797719 /nfs/dbraw/zinc/79/77/19/1061797719.db2.gz XJXSQLBKHGKVHZ-IBGZPJMESA-N 1 1 490.603 2.967 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311044 1061801717 /nfs/dbraw/zinc/80/17/17/1061801717.db2.gz JWOUXVPUZVGCRV-HXUWFJFHSA-N 1 1 452.669 2.718 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001294311698 1061802458 /nfs/dbraw/zinc/80/24/58/1061802458.db2.gz NUGNNXMUMCOTIB-NJDAHSKKSA-N 1 1 473.666 2.769 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290075244 1061803851 /nfs/dbraw/zinc/80/38/51/1061803851.db2.gz UTNDGXZZSTVQNS-SFHVURJKSA-N 1 1 476.572 2.857 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294313213 1061805118 /nfs/dbraw/zinc/80/51/18/1061805118.db2.gz BLDXXNKWNFHHET-PKTZIBPZSA-N 1 1 468.646 2.783 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001294316061 1061809656 /nfs/dbraw/zinc/80/96/56/1061809656.db2.gz NBXSBOSVMHSZDA-NJDAHSKKSA-N 1 1 467.680 2.840 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316541 1061810696 /nfs/dbraw/zinc/81/06/96/1061810696.db2.gz HFHNEODVKCGAPM-SQJMNOBHSA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294317129 1061812235 /nfs/dbraw/zinc/81/22/35/1061812235.db2.gz UUOUHNGMYKHNPM-HXUWFJFHSA-N 1 1 468.712 2.993 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CC=CCC1 ZINC001286980324 1061812285 /nfs/dbraw/zinc/81/22/85/1061812285.db2.gz MZKCOKCJFVTXNE-CVEARBPZSA-N 1 1 453.012 2.513 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CC=CCC1 ZINC001286980324 1061812306 /nfs/dbraw/zinc/81/23/06/1061812306.db2.gz MZKCOKCJFVTXNE-CVEARBPZSA-N 1 1 453.012 2.513 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294317800 1061815596 /nfs/dbraw/zinc/81/55/96/1061815596.db2.gz NDJZYHHKIZSPQH-NRFANRHFSA-N 1 1 461.655 2.807 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCOCC1(C)C ZINC001290091580 1061823276 /nfs/dbraw/zinc/82/32/76/1061823276.db2.gz CILJBJONXHUKKH-RTBURBONSA-N 1 1 478.663 2.505 20 0 JFADMO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCOCC1(C)C ZINC001290091580 1061823303 /nfs/dbraw/zinc/82/33/03/1061823303.db2.gz CILJBJONXHUKKH-RTBURBONSA-N 1 1 478.663 2.505 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294322033 1061826667 /nfs/dbraw/zinc/82/66/67/1061826667.db2.gz PKLOMPFNKVBPCP-ROMRWMGNSA-N 1 1 490.052 2.581 20 0 JFADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286982997 1061830863 /nfs/dbraw/zinc/83/08/63/1061830863.db2.gz WPMNZBRFVSVMLB-NRFANRHFSA-N 1 1 483.661 2.506 20 0 JFADMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286982997 1061830876 /nfs/dbraw/zinc/83/08/76/1061830876.db2.gz WPMNZBRFVSVMLB-NRFANRHFSA-N 1 1 483.661 2.506 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001294326217 1061837056 /nfs/dbraw/zinc/83/70/56/1061837056.db2.gz PWBIPSFQRAMRCP-NJDAHSKKSA-N 1 1 468.650 2.988 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001294326219 1061837264 /nfs/dbraw/zinc/83/72/64/1061837264.db2.gz PWBIPSFQRAMRCP-PWRODBHTSA-N 1 1 468.650 2.988 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001290120221 1061849241 /nfs/dbraw/zinc/84/92/41/1061849241.db2.gz HYSRFPGSTYKBNJ-ICSRJNTNSA-N 1 1 454.619 2.845 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001290120220 1061849435 /nfs/dbraw/zinc/84/94/35/1061849435.db2.gz HYSRFPGSTYKBNJ-AZUAARDMSA-N 1 1 454.619 2.845 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290120637 1061849971 /nfs/dbraw/zinc/84/99/71/1061849971.db2.gz PKUGBZWSSFHFDJ-UHFFFAOYSA-N 1 1 488.702 2.541 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290121122 1061850844 /nfs/dbraw/zinc/85/08/44/1061850844.db2.gz SOBVVTZAGQDHJS-FQEVSTJZSA-N 1 1 475.659 2.624 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001294330857 1061850930 /nfs/dbraw/zinc/85/09/30/1061850930.db2.gz BKUMZECXEAFBBG-FDFHNCONSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290129971 1061863491 /nfs/dbraw/zinc/86/34/91/1061863491.db2.gz XZDOSRGDHSZJQZ-NRFANRHFSA-N 1 1 468.646 2.795 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)C)CC1 ZINC001290133273 1061867545 /nfs/dbraw/zinc/86/75/45/1061867545.db2.gz OYFCVNMTRCZUME-UHFFFAOYSA-N 1 1 478.645 2.698 20 0 JFADMO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286987808 1061872193 /nfs/dbraw/zinc/87/21/93/1061872193.db2.gz ZPRIZBHILBZMNL-FQEVSTJZSA-N 1 1 494.644 2.566 20 0 JFADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001286988680 1061877887 /nfs/dbraw/zinc/87/78/87/1061877887.db2.gz CNVXSXWGVXRIPI-PXDATVDWSA-N 1 1 456.635 2.752 20 0 JFADMO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001286988682 1061878775 /nfs/dbraw/zinc/87/87/75/1061878775.db2.gz CNVXSXWGVXRIPI-SQJMNOBHSA-N 1 1 456.635 2.752 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294339174 1061882365 /nfs/dbraw/zinc/88/23/65/1061882365.db2.gz ZBHBCRIYSDSJEI-PZJWPPBQSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294339174 1061882386 /nfs/dbraw/zinc/88/23/86/1061882386.db2.gz ZBHBCRIYSDSJEI-PZJWPPBQSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294339175 1061882693 /nfs/dbraw/zinc/88/26/93/1061882693.db2.gz ZBHBCRIYSDSJEI-TZIWHRDSSA-N 1 1 460.667 2.863 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294339175 1061882710 /nfs/dbraw/zinc/88/27/10/1061882710.db2.gz ZBHBCRIYSDSJEI-TZIWHRDSSA-N 1 1 460.667 2.863 20 0 JFADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001290145530 1061884362 /nfs/dbraw/zinc/88/43/62/1061884362.db2.gz LQYNKUPCCQVVFT-HSZRJFAPSA-N 1 1 482.673 2.622 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294341585 1061889923 /nfs/dbraw/zinc/88/99/23/1061889923.db2.gz ICDPHSMCXPDJID-TZIWHRDSSA-N 1 1 470.666 2.932 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001290167776 1061911011 /nfs/dbraw/zinc/91/10/11/1061911011.db2.gz RSZIYNVAGJWOTG-NRFANRHFSA-N 1 1 485.658 2.538 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998669 1061912319 /nfs/dbraw/zinc/91/23/19/1061912319.db2.gz TVBSYQPYUFSTGF-QGZVFWFLSA-N 1 1 480.455 2.783 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001294349194 1061914095 /nfs/dbraw/zinc/91/40/95/1061914095.db2.gz NWDSHIQPTWTLLM-QFIPXVFZSA-N 1 1 451.619 2.659 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC001290171736 1061915863 /nfs/dbraw/zinc/91/58/63/1061915863.db2.gz NCYDTXWORPAAMZ-NRFANRHFSA-N 1 1 455.555 2.871 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001290176049 1061923576 /nfs/dbraw/zinc/92/35/76/1061923576.db2.gz DKXHKVYZPLZSTL-QFIPXVFZSA-N 1 1 488.702 2.627 20 0 JFADMO Cc1ccccc1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290180004 1061927434 /nfs/dbraw/zinc/92/74/34/1061927434.db2.gz MGTZCGDUXXHQGL-UHFFFAOYSA-N 1 1 454.619 2.612 20 0 JFADMO Cc1ccccc1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290180004 1061927452 /nfs/dbraw/zinc/92/74/52/1061927452.db2.gz MGTZCGDUXXHQGL-UHFFFAOYSA-N 1 1 454.619 2.612 20 0 JFADMO Cc1ccccc1N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001290195953 1061936879 /nfs/dbraw/zinc/93/68/79/1061936879.db2.gz FURBVMBSADMWAZ-OAQYLSRUSA-N 1 1 465.602 2.947 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H]1CSCCS1 ZINC001287009459 1061938165 /nfs/dbraw/zinc/93/81/65/1061938165.db2.gz UHOPGTIFJGGLGU-FPOVZHCZSA-N 1 1 491.727 2.986 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCO1 ZINC001287009963 1061940179 /nfs/dbraw/zinc/94/01/79/1061940179.db2.gz ZLORWWJSJJSFLZ-UNMCSNQZSA-N 1 1 457.619 2.707 20 0 JFADMO CC(C)Oc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)cs2)cc1 ZINC001294386754 1061958626 /nfs/dbraw/zinc/95/86/26/1061958626.db2.gz JYQYZTXUQNJHDS-KRWDZBQOSA-N 1 1 451.614 2.788 20 0 JFADMO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CC1 ZINC001294398588 1061968157 /nfs/dbraw/zinc/96/81/57/1061968157.db2.gz UDPCBDNSKMWJTK-GOSISDBHSA-N 1 1 453.530 2.709 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001287028583 1061975885 /nfs/dbraw/zinc/97/58/85/1061975885.db2.gz JBEZKKOZDBNNNM-JOCHJYFZSA-N 1 1 489.686 2.761 20 0 JFADMO CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294410050 1061977151 /nfs/dbraw/zinc/97/71/51/1061977151.db2.gz GQEVXKRJUZDTQL-QFIPXVFZSA-N 1 1 472.609 2.568 20 0 JFADMO C[C@@H]1C[N@H+](CCCCNC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414286 1061979996 /nfs/dbraw/zinc/97/99/96/1061979996.db2.gz JPVZEZIWQKRCTK-IEGUWTFLSA-N 1 1 452.596 2.538 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CCC[NH+]1CCOCC1 ZINC001287032204 1061986522 /nfs/dbraw/zinc/98/65/22/1061986522.db2.gz KJYOHLMHAWETCL-UHFFFAOYSA-N 1 1 486.636 2.619 20 0 JFADMO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001294434839 1061988834 /nfs/dbraw/zinc/98/88/34/1061988834.db2.gz MRGMVXIRXBWYLQ-IBGZPJMESA-N 1 1 467.618 2.929 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287032848 1061989393 /nfs/dbraw/zinc/98/93/93/1061989393.db2.gz WJONLJPAXYOVLM-IBGZPJMESA-N 1 1 461.680 2.887 20 0 JFADMO CCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001294436136 1061990437 /nfs/dbraw/zinc/99/04/37/1061990437.db2.gz YBDAOHWOVKUZFD-UHFFFAOYSA-N 1 1 452.607 2.714 20 0 JFADMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1cccc(S(N)(=O)=O)c1 ZINC001290254564 1061990442 /nfs/dbraw/zinc/99/04/42/1061990442.db2.gz AKOIWMSFWZTIFB-GKVQRAMASA-N 1 1 464.591 2.822 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001294453584 1061997531 /nfs/dbraw/zinc/99/75/31/1061997531.db2.gz BEGDJIYXMIKDPL-MOPGFXCFSA-N 1 1 455.607 2.909 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 ZINC001294453550 1061997613 /nfs/dbraw/zinc/99/76/13/1061997613.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 1 1 473.691 2.704 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294453779 1061998532 /nfs/dbraw/zinc/99/85/32/1061998532.db2.gz GKUMLGOLCQFRKB-ZWKOTPCHSA-N 1 1 475.663 2.894 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287034920 1061999223 /nfs/dbraw/zinc/99/92/23/1061999223.db2.gz BGWJYRUZBMPXNU-UHFFFAOYSA-N 1 1 490.649 2.779 20 0 JFADMO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290270679 1061999545 /nfs/dbraw/zinc/99/95/45/1061999545.db2.gz BDRQSVZWRHJOBG-JOCHJYFZSA-N 1 1 484.693 2.940 20 0 JFADMO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C2)c1 ZINC001290270580 1061999775 /nfs/dbraw/zinc/99/97/75/1061999775.db2.gz BFRHOROIPMWMCB-FQEVSTJZSA-N 1 1 456.639 2.885 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454421 1062000535 /nfs/dbraw/zinc/00/05/35/1062000535.db2.gz QYAGGQPYYQKONA-VQTJNVASSA-N 1 1 491.681 2.986 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)C1 ZINC001294454699 1062000878 /nfs/dbraw/zinc/00/08/78/1062000878.db2.gz BEFNFHKOWQLWCJ-CYBMUJFWSA-N 1 1 480.440 2.509 20 0 JFADMO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001290272193 1062002108 /nfs/dbraw/zinc/00/21/08/1062002108.db2.gz XYUUMIDUZQODPC-UBFVSLLYSA-N 1 1 456.675 2.930 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001287036227 1062002121 /nfs/dbraw/zinc/00/21/21/1062002121.db2.gz UQNUGSYHGHIATJ-JOCHJYFZSA-N 1 1 489.686 2.761 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001287036240 1062002419 /nfs/dbraw/zinc/00/24/19/1062002419.db2.gz VBMBKUMEHPYCBE-NRFANRHFSA-N 1 1 460.667 2.960 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCOCC2)C1 ZINC001294455428 1062002599 /nfs/dbraw/zinc/00/25/99/1062002599.db2.gz DMTMHIGIIQURCM-ROUUACIJSA-N 1 1 494.482 2.925 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294456767 1062003676 /nfs/dbraw/zinc/00/36/76/1062003676.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 1 1 494.482 2.925 20 0 JFADMO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290274064 1062005263 /nfs/dbraw/zinc/00/52/63/1062005263.db2.gz UBUQBYJGDDBYRI-QHCPKHFHSA-N 1 1 484.693 2.841 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 ZINC001294460310 1062007767 /nfs/dbraw/zinc/00/77/67/1062007767.db2.gz CFJRMRVMSNOZAR-HNNXBMFYSA-N 1 1 489.473 2.969 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 ZINC001287041151 1062008459 /nfs/dbraw/zinc/00/84/59/1062008459.db2.gz GDKZBGBQJWLFMI-UHFFFAOYSA-N 1 1 481.638 2.989 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001287042102 1062010900 /nfs/dbraw/zinc/01/09/00/1062010900.db2.gz ZKWAMRSLDKEGOB-QRVBRYPASA-N 1 1 455.644 2.877 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001287042101 1062010998 /nfs/dbraw/zinc/01/09/98/1062010998.db2.gz ZKWAMRSLDKEGOB-OTWHNJEPSA-N 1 1 455.644 2.877 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 ZINC001294461750 1062011323 /nfs/dbraw/zinc/01/13/23/1062011323.db2.gz DAIXWENWQOOPPL-GOSISDBHSA-N 1 1 454.623 2.805 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001294461703 1062011393 /nfs/dbraw/zinc/01/13/93/1062011393.db2.gz BSTMDICVVMALSF-LJQANCHMSA-N 1 1 456.639 2.638 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294461771 1062011572 /nfs/dbraw/zinc/01/15/72/1062011572.db2.gz DOFOUDJJEMQSMC-WOJBJXKFSA-N 1 1 490.674 2.546 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3(c4ccc(F)cc4F)CCOCC3)c2)CC1 ZINC001294462355 1062012207 /nfs/dbraw/zinc/01/22/07/1062012207.db2.gz FRIUSATYWRBNPW-UHFFFAOYSA-N 1 1 457.521 2.968 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287042333 1062012545 /nfs/dbraw/zinc/01/25/45/1062012545.db2.gz JIKPFRSYYKMUJH-UHFFFAOYSA-N 1 1 481.066 2.945 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)C1 ZINC001294463011 1062012514 /nfs/dbraw/zinc/01/25/14/1062012514.db2.gz NOQVPFYUFXVAGU-LJQANCHMSA-N 1 1 451.575 2.726 20 0 JFADMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001294463035 1062012849 /nfs/dbraw/zinc/01/28/49/1062012849.db2.gz NSGFSICFUWTCME-GGAORHGYSA-N 1 1 455.651 2.865 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001294463035 1062012872 /nfs/dbraw/zinc/01/28/72/1062012872.db2.gz NSGFSICFUWTCME-GGAORHGYSA-N 1 1 455.651 2.865 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287042557 1062012873 /nfs/dbraw/zinc/01/28/73/1062012873.db2.gz QKTCFTIAHBMADJ-IBGZPJMESA-N 1 1 481.567 2.914 20 0 JFADMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001294463036 1062013317 /nfs/dbraw/zinc/01/33/17/1062013317.db2.gz NSGFSICFUWTCME-GMAHTHKFSA-N 1 1 455.651 2.865 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)C1 ZINC001294463036 1062013339 /nfs/dbraw/zinc/01/33/39/1062013339.db2.gz NSGFSICFUWTCME-GMAHTHKFSA-N 1 1 455.651 2.865 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)CC1 ZINC001287042890 1062014216 /nfs/dbraw/zinc/01/42/16/1062014216.db2.gz YGVRUDPTTJFOTR-INIZCTEOSA-N 1 1 467.412 2.762 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)C1 ZINC001294465145 1062015112 /nfs/dbraw/zinc/01/51/12/1062015112.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 1 1 455.651 2.927 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466692 1062015685 /nfs/dbraw/zinc/01/56/85/1062015685.db2.gz CPURUORAXJHOSE-VQTJNVASSA-N 1 1 480.654 2.791 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466690 1062015868 /nfs/dbraw/zinc/01/58/68/1062015868.db2.gz CPURUORAXJHOSE-UXHICEINSA-N 1 1 480.654 2.791 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467785 1062016633 /nfs/dbraw/zinc/01/66/33/1062016633.db2.gz JDHBLIBIQKTRAR-UXHICEINSA-N 1 1 455.607 2.879 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467552 1062016676 /nfs/dbraw/zinc/01/66/76/1062016676.db2.gz GWIKKUJZYRJLNO-CTNGQTDRSA-N 1 1 475.659 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468142 1062018285 /nfs/dbraw/zinc/01/82/85/1062018285.db2.gz LIHRDKUIBQAHAD-CTNGQTDRSA-N 1 1 475.659 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(F)c2)C1 ZINC001294468881 1062019668 /nfs/dbraw/zinc/01/96/68/1062019668.db2.gz RDDIQSWTFUXLFF-AABGKKOBSA-N 1 1 493.649 2.955 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294469289 1062021274 /nfs/dbraw/zinc/02/12/74/1062021274.db2.gz XGEZTHYKQKMCGJ-OKZBNKHCSA-N 1 1 496.703 2.561 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001294469504 1062021876 /nfs/dbraw/zinc/02/18/76/1062021876.db2.gz AAPOFCRNJBESKC-STWLZBDKSA-N 1 1 457.619 2.874 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287045295 1062023258 /nfs/dbraw/zinc/02/32/58/1062023258.db2.gz LJYKKJIIFXEVNY-HSZRJFAPSA-N 1 1 460.648 2.536 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001287045565 1062024556 /nfs/dbraw/zinc/02/45/56/1062024556.db2.gz NLBFLKNEEMIIKB-FQEVSTJZSA-N 1 1 472.609 2.938 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)C1 ZINC001294470874 1062024752 /nfs/dbraw/zinc/02/47/52/1062024752.db2.gz OHLJEEBXIOVSDY-SFHVURJKSA-N 1 1 457.652 2.770 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)C1 ZINC001294473356 1062026208 /nfs/dbraw/zinc/02/62/08/1062026208.db2.gz LYNLZCSUMYUWDY-OAQYLSRUSA-N 1 1 453.635 2.835 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001294473755 1062026251 /nfs/dbraw/zinc/02/62/51/1062026251.db2.gz YTMYYQHZWJUCKX-QFIPXVFZSA-N 1 1 484.693 2.956 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001294474746 1062027301 /nfs/dbraw/zinc/02/73/01/1062027301.db2.gz QWSXLIMJIMTBKS-HXUWFJFHSA-N 1 1 474.675 2.789 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 ZINC001287047035 1062030884 /nfs/dbraw/zinc/03/08/84/1062030884.db2.gz ZVGXSJUFAFUGMP-KRWDZBQOSA-N 1 1 467.039 2.588 20 0 JFADMO Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001290304403 1062031611 /nfs/dbraw/zinc/03/16/11/1062031611.db2.gz KRYQGBCLRJNDCP-JOCHJYFZSA-N 1 1 466.586 2.530 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001294496769 1062034283 /nfs/dbraw/zinc/03/42/83/1062034283.db2.gz AYSYJOUOUBBDSJ-PMACEKPBSA-N 1 1 480.654 2.791 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001294497648 1062035241 /nfs/dbraw/zinc/03/52/41/1062035241.db2.gz NDJZSRILFSBIOO-DENIHFKCSA-N 1 1 475.659 2.686 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001294497648 1062035255 /nfs/dbraw/zinc/03/52/55/1062035255.db2.gz NDJZSRILFSBIOO-DENIHFKCSA-N 1 1 475.659 2.686 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2F)CC1 ZINC001294502835 1062037910 /nfs/dbraw/zinc/03/79/10/1062037910.db2.gz QHGOLLFPDBNHAF-AUUYWEPGSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 ZINC001294503071 1062038851 /nfs/dbraw/zinc/03/88/51/1062038851.db2.gz SMFJZHHMACZWRI-KBMIEXCESA-N 1 1 453.583 2.619 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294505468 1062041024 /nfs/dbraw/zinc/04/10/24/1062041024.db2.gz JTGHHXDUOIUGKU-XLIONFOSSA-N 1 1 463.026 2.801 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001294505811 1062042222 /nfs/dbraw/zinc/04/22/22/1062042222.db2.gz OCZAYCLXDGXLSJ-UHFFFAOYSA-N 1 1 495.672 2.907 20 0 JFADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320771 1062046094 /nfs/dbraw/zinc/04/60/94/1062046094.db2.gz UGTBIZRKZXVCOE-ZFGGDYGUSA-N 1 1 458.622 2.829 20 0 JFADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320771 1062046118 /nfs/dbraw/zinc/04/61/18/1062046118.db2.gz UGTBIZRKZXVCOE-ZFGGDYGUSA-N 1 1 458.622 2.829 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001294514059 1062048758 /nfs/dbraw/zinc/04/87/58/1062048758.db2.gz MEPPARZIHSDVHO-UHFFFAOYSA-N 1 1 497.669 2.973 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294515867 1062053050 /nfs/dbraw/zinc/05/30/50/1062053050.db2.gz KHLJPJBDLUIDGU-NRFANRHFSA-N 1 1 473.666 2.580 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294516263 1062053278 /nfs/dbraw/zinc/05/32/78/1062053278.db2.gz QHUOEPMSDINASJ-ICSRJNTNSA-N 1 1 457.598 2.815 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001294516687 1062054382 /nfs/dbraw/zinc/05/43/82/1062054382.db2.gz ZUUAPPYEVDYSIQ-UHFFFAOYSA-N 1 1 483.020 2.969 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294518866 1062054452 /nfs/dbraw/zinc/05/44/52/1062054452.db2.gz AYLVTWZIIHIXNK-PMACEKPBSA-N 1 1 491.681 2.791 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294519363 1062055786 /nfs/dbraw/zinc/05/57/86/1062055786.db2.gz DCWMLUZJRRIMEP-UXHICEINSA-N 1 1 492.665 2.766 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001294521164 1062056496 /nfs/dbraw/zinc/05/64/96/1062056496.db2.gz ARGNJDDLLWNKLK-UHFFFAOYSA-N 1 1 461.614 2.958 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287052600 1062056595 /nfs/dbraw/zinc/05/65/95/1062056595.db2.gz ASVDPEGCIHREJC-UHFFFAOYSA-N 1 1 450.628 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001294522386 1062058201 /nfs/dbraw/zinc/05/82/01/1062058201.db2.gz UBFWOHLIMBPPPY-NRFANRHFSA-N 1 1 459.683 2.801 20 0 JFADMO Cc1csc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290347820 1062061829 /nfs/dbraw/zinc/06/18/29/1062061829.db2.gz BGHPFCPIKLYUFD-IYBDPMFKSA-N 1 1 461.661 2.992 20 0 JFADMO Cc1csc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290347820 1062061851 /nfs/dbraw/zinc/06/18/51/1062061851.db2.gz BGHPFCPIKLYUFD-IYBDPMFKSA-N 1 1 461.661 2.992 20 0 JFADMO CCC[N@@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2F)CC1 ZINC001294528732 1062064576 /nfs/dbraw/zinc/06/45/76/1062064576.db2.gz VRDCYYCPONFANA-UHFFFAOYSA-N 1 1 457.598 2.598 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001294528738 1062064620 /nfs/dbraw/zinc/06/46/20/1062064620.db2.gz FRZVCEGVRPVUFJ-NJDAHSKKSA-N 1 1 475.682 2.969 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294529303 1062065403 /nfs/dbraw/zinc/06/54/03/1062065403.db2.gz XHSZDUGDHSYXJV-UHFFFAOYSA-N 1 1 497.644 2.726 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C ZINC001294529952 1062066112 /nfs/dbraw/zinc/06/61/12/1062066112.db2.gz SKSNGFZBHQCPBW-UHFFFAOYSA-N 1 1 486.690 2.699 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530323 1062066565 /nfs/dbraw/zinc/06/65/65/1062066565.db2.gz CRBUKDNCGUXURI-KMDXXIMOSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530323 1062066587 /nfs/dbraw/zinc/06/65/87/1062066587.db2.gz CRBUKDNCGUXURI-KMDXXIMOSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530324 1062066905 /nfs/dbraw/zinc/06/69/05/1062066905.db2.gz CRBUKDNCGUXURI-RBZQAINGSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530324 1062066922 /nfs/dbraw/zinc/06/69/22/1062066922.db2.gz CRBUKDNCGUXURI-RBZQAINGSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530359 1062067254 /nfs/dbraw/zinc/06/72/54/1062067254.db2.gz DNQLUTNOEIPGSB-RTWAWAEBSA-N 1 1 454.962 2.789 20 0 JFADMO CC[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530359 1062067279 /nfs/dbraw/zinc/06/72/79/1062067279.db2.gz DNQLUTNOEIPGSB-RTWAWAEBSA-N 1 1 454.962 2.789 20 0 JFADMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC001290372216 1062076040 /nfs/dbraw/zinc/07/60/40/1062076040.db2.gz IBHVZXGXUXCDKS-QGZVFWFLSA-N 1 1 454.962 2.945 20 0 JFADMO CCOC(Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554963 1062077146 /nfs/dbraw/zinc/07/71/46/1062077146.db2.gz SSFWCSSKRJBZFM-IRLDBZIGSA-N 1 1 455.603 2.991 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001290373051 1062077493 /nfs/dbraw/zinc/07/74/93/1062077493.db2.gz ZLEHGJOFRMECDN-LJQANCHMSA-N 1 1 454.575 2.854 20 0 JFADMO CCCN(CCC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294563515 1062080586 /nfs/dbraw/zinc/08/05/86/1062080586.db2.gz HPMPOEMWDMYXJP-HBMCJLEFSA-N 1 1 498.738 2.994 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001290388810 1062092848 /nfs/dbraw/zinc/09/28/48/1062092848.db2.gz YPMRRJLUCUJUPE-UHFFFAOYSA-N 1 1 473.691 2.690 20 0 JFADMO CCCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294583811 1062094174 /nfs/dbraw/zinc/09/41/74/1062094174.db2.gz KHQBBXUBNZWLII-LEWJYISDSA-N 1 1 494.681 2.976 20 0 JFADMO CCCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294583814 1062094776 /nfs/dbraw/zinc/09/47/76/1062094776.db2.gz KHQBBXUBNZWLII-SFTDATJTSA-N 1 1 494.681 2.976 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287061139 1062095957 /nfs/dbraw/zinc/09/59/57/1062095957.db2.gz ILCSSPZVKAZAGY-IBGZPJMESA-N 1 1 485.633 2.802 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287061139 1062095985 /nfs/dbraw/zinc/09/59/85/1062095985.db2.gz ILCSSPZVKAZAGY-IBGZPJMESA-N 1 1 485.633 2.802 20 0 JFADMO O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001290393559 1062096100 /nfs/dbraw/zinc/09/61/00/1062096100.db2.gz ZPLNQJOHKPELLF-UHFFFAOYSA-N 1 1 452.477 2.508 20 0 JFADMO CCCN(CCn1c(-c2cnccn2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294585557 1062096549 /nfs/dbraw/zinc/09/65/49/1062096549.db2.gz QUVGPOUQNDNKNB-GOSISDBHSA-N 1 1 458.611 2.913 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC001290394510 1062096681 /nfs/dbraw/zinc/09/66/81/1062096681.db2.gz PCQLQLVIKAZWRP-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290394510 1062096698 /nfs/dbraw/zinc/09/66/98/1062096698.db2.gz PCQLQLVIKAZWRP-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cs1 ZINC001290394510 1062096718 /nfs/dbraw/zinc/09/67/18/1062096718.db2.gz PCQLQLVIKAZWRP-UHFFFAOYSA-N 1 1 460.677 2.753 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC3CCOCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290398620 1062099212 /nfs/dbraw/zinc/09/92/12/1062099212.db2.gz NVYMAWYOJZKZIB-SFHVURJKSA-N 1 1 462.664 2.998 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2ccc(NC(N)=O)cc2)cs1 ZINC001290402231 1062107727 /nfs/dbraw/zinc/10/77/27/1062107727.db2.gz XCYVLQXDHWRCKU-UHFFFAOYSA-N 1 1 498.657 2.720 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2ccc(NC(N)=O)cc2)cs1 ZINC001290402231 1062107740 /nfs/dbraw/zinc/10/77/40/1062107740.db2.gz XCYVLQXDHWRCKU-UHFFFAOYSA-N 1 1 498.657 2.720 20 0 JFADMO C[N@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC[C@H]21 ZINC001294605302 1062115541 /nfs/dbraw/zinc/11/55/41/1062115541.db2.gz FPCQTMLHAGLEAV-MLGOLLRUSA-N 1 1 453.914 2.580 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cs1 ZINC001290407089 1062118975 /nfs/dbraw/zinc/11/89/75/1062118975.db2.gz FLBGMKDIVBVQMU-YOEHRIQHSA-N 1 1 474.553 2.512 20 0 JFADMO CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294616696 1062126147 /nfs/dbraw/zinc/12/61/47/1062126147.db2.gz KQOCPKNIZDJWJR-HTAPYJJXSA-N 1 1 460.573 2.936 20 0 JFADMO CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294616701 1062126218 /nfs/dbraw/zinc/12/62/18/1062126218.db2.gz KQOCPKNIZDJWJR-VGOFRKELSA-N 1 1 460.573 2.936 20 0 JFADMO CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001294617078 1062126280 /nfs/dbraw/zinc/12/62/80/1062126280.db2.gz NIPDQWFIQAPKKK-PMACEKPBSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001294632392 1062140116 /nfs/dbraw/zinc/14/01/16/1062140116.db2.gz HUGMZJFPLGRTIM-FQEVSTJZSA-N 1 1 496.660 2.939 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1 ZINC001294632458 1062140237 /nfs/dbraw/zinc/14/02/37/1062140237.db2.gz IUUQGHYCVPQDIN-VXKWHMMOSA-N 1 1 495.672 2.795 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(CC2CC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287066317 1062147469 /nfs/dbraw/zinc/14/74/69/1062147469.db2.gz DUTLURHUVYYAED-HXUWFJFHSA-N 1 1 462.639 2.694 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637451 1062150540 /nfs/dbraw/zinc/15/05/40/1062150540.db2.gz IEHZWEKCRHIEEI-RTBURBONSA-N 1 1 454.685 2.774 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@H](c3ccsc3)C2)C1 ZINC001294637619 1062151966 /nfs/dbraw/zinc/15/19/66/1062151966.db2.gz LKGFOCUHJZHKRM-DOADOZAASA-N 1 1 496.703 2.648 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cs1 ZINC001290420563 1062154006 /nfs/dbraw/zinc/15/40/06/1062154006.db2.gz BCAOHQWAORBSQQ-HXUWFJFHSA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cs1 ZINC001290420563 1062154014 /nfs/dbraw/zinc/15/40/14/1062154014.db2.gz BCAOHQWAORBSQQ-HXUWFJFHSA-N 1 1 462.664 2.996 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)C1 ZINC001294639820 1062155505 /nfs/dbraw/zinc/15/55/05/1062155505.db2.gz XNMGVYNGXUYZCI-MOPGFXCFSA-N 1 1 452.669 2.781 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294641314 1062162064 /nfs/dbraw/zinc/16/20/64/1062162064.db2.gz LWXIBTRLWBARBC-QYZOEREBSA-N 1 1 458.582 2.991 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001290423144 1062163495 /nfs/dbraw/zinc/16/34/95/1062163495.db2.gz GUJZGIXJVVMUBO-MJGOQNOKSA-N 1 1 459.664 2.990 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294642238 1062165420 /nfs/dbraw/zinc/16/54/20/1062165420.db2.gz TTZLTUBGFVCYMD-JBACZVJFSA-N 1 1 488.608 2.630 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001294642897 1062166274 /nfs/dbraw/zinc/16/62/74/1062166274.db2.gz WQTPTPLKWLIUBR-YCRPNKLZSA-N 1 1 478.439 2.730 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645485 1062171832 /nfs/dbraw/zinc/17/18/32/1062171832.db2.gz MSFIMTMQAVXSIV-OFVILXPXSA-N 1 1 451.567 2.930 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645485 1062171844 /nfs/dbraw/zinc/17/18/44/1062171844.db2.gz MSFIMTMQAVXSIV-OFVILXPXSA-N 1 1 451.567 2.930 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001294645665 1062173005 /nfs/dbraw/zinc/17/30/05/1062173005.db2.gz DARNMVOCXCMFKE-INIZCTEOSA-N 1 1 499.056 2.988 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)CN2CCOCC2)cs1 ZINC001290428127 1062179473 /nfs/dbraw/zinc/17/94/73/1062179473.db2.gz DWCHMSOPJGCABC-IBGZPJMESA-N 1 1 461.680 2.523 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC001294647009 1062179552 /nfs/dbraw/zinc/17/95/52/1062179552.db2.gz QTSMHHKLHNGSTM-LEWJYISDSA-N 1 1 454.619 2.990 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294647005 1062179598 /nfs/dbraw/zinc/17/95/98/1062179598.db2.gz QSBZNCOAVSWHHG-AEFFLSMTSA-N 1 1 482.050 2.962 20 0 JFADMO CC(C)(C)OC(=O)NCCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001287069326 1062180082 /nfs/dbraw/zinc/18/00/82/1062180082.db2.gz SIEMIEDSMMYMGD-KRWDZBQOSA-N 1 1 462.620 2.690 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001294647029 1062180800 /nfs/dbraw/zinc/18/08/00/1062180800.db2.gz RFTQZUKQNQXHSV-OAQYLSRUSA-N 1 1 468.646 2.971 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCSC2)cs1 ZINC001290428653 1062181764 /nfs/dbraw/zinc/18/17/64/1062181764.db2.gz NZXWBTIFAMWASF-NRFANRHFSA-N 1 1 450.678 2.812 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2([S@](C)=O)CCC2)cs1 ZINC001290429255 1062183638 /nfs/dbraw/zinc/18/36/38/1062183638.db2.gz ZRXIFOMSOMKOOK-PMERELPUSA-N 1 1 450.678 2.856 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294648260 1062187062 /nfs/dbraw/zinc/18/70/62/1062187062.db2.gz IRROWRWCBNQNEW-LJQANCHMSA-N 1 1 456.591 2.964 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287070640 1062192198 /nfs/dbraw/zinc/19/21/98/1062192198.db2.gz DDAACTVBBAZKEE-OAQYLSRUSA-N 1 1 499.660 2.868 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287070640 1062192217 /nfs/dbraw/zinc/19/22/17/1062192217.db2.gz DDAACTVBBAZKEE-OAQYLSRUSA-N 1 1 499.660 2.868 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001294649627 1062192194 /nfs/dbraw/zinc/19/21/94/1062192194.db2.gz FFUXVWNDVDBHJX-OALUTQOASA-N 1 1 450.591 2.563 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290433564 1062199381 /nfs/dbraw/zinc/19/93/81/1062199381.db2.gz XCOFXZKZKUKPTJ-HXUWFJFHSA-N 1 1 461.680 2.523 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290433564 1062199394 /nfs/dbraw/zinc/19/93/94/1062199394.db2.gz XCOFXZKZKUKPTJ-HXUWFJFHSA-N 1 1 461.680 2.523 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658188 1062203755 /nfs/dbraw/zinc/20/37/55/1062203755.db2.gz QBFCBRIDXKUKLF-LJQANCHMSA-N 1 1 466.696 2.966 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658187 1062204135 /nfs/dbraw/zinc/20/41/35/1062204135.db2.gz QBFCBRIDXKUKLF-IBGZPJMESA-N 1 1 466.696 2.966 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC)nnc2N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 ZINC001294660368 1062208998 /nfs/dbraw/zinc/20/89/98/1062208998.db2.gz CFPKQBNWMRZZLG-JOCHJYFZSA-N 1 1 467.662 2.950 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287073072 1062210456 /nfs/dbraw/zinc/21/04/56/1062210456.db2.gz YXMFMFOXUSQATE-LJQANCHMSA-N 1 1 471.606 2.554 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287073072 1062210478 /nfs/dbraw/zinc/21/04/78/1062210478.db2.gz YXMFMFOXUSQATE-LJQANCHMSA-N 1 1 471.606 2.554 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC2(O)CC2)C1 ZINC001287073214 1062210949 /nfs/dbraw/zinc/21/09/49/1062210949.db2.gz ABEUPPDRPOUXRL-HDICACEKSA-N 1 1 462.639 2.884 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001294661538 1062212290 /nfs/dbraw/zinc/21/22/90/1062212290.db2.gz QHGYRWBPTFDUQU-FQEVSTJZSA-N 1 1 475.037 2.549 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294661543 1062212731 /nfs/dbraw/zinc/21/27/31/1062212731.db2.gz QHPOAJCGXMAURD-UNMCSNQZSA-N 1 1 475.037 2.596 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294661726 1062212858 /nfs/dbraw/zinc/21/28/58/1062212858.db2.gz UMPHECANHKGOAD-SFHVURJKSA-N 1 1 475.588 2.731 20 0 JFADMO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCCn3cc[nH+]c3C)C2)no1 ZINC001290441582 1062213294 /nfs/dbraw/zinc/21/32/94/1062213294.db2.gz JQFYVVFWNNZDJE-IBGZPJMESA-N 1 1 469.594 2.552 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001294662440 1062214122 /nfs/dbraw/zinc/21/41/22/1062214122.db2.gz NAFFZGRAHNGJDO-RTBURBONSA-N 1 1 472.659 2.951 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662439 1062214240 /nfs/dbraw/zinc/21/42/40/1062214240.db2.gz NAFFZGRAHNGJDO-RBUKOAKNSA-N 1 1 472.659 2.951 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2CCS(=O)CC2)C1 ZINC001294666076 1062218613 /nfs/dbraw/zinc/21/86/13/1062218613.db2.gz ABCPAUFWTKAEAZ-IBGZPJMESA-N 1 1 461.632 2.556 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001294666972 1062220672 /nfs/dbraw/zinc/22/06/72/1062220672.db2.gz ONESGVZSWNLVHI-WOJBJXKFSA-N 1 1 454.619 2.818 20 0 JFADMO Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)cs1 ZINC001290447283 1062221325 /nfs/dbraw/zinc/22/13/25/1062221325.db2.gz HQYIKEKVZADJRB-UHFFFAOYSA-N 1 1 459.645 2.808 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001294671491 1062230672 /nfs/dbraw/zinc/23/06/72/1062230672.db2.gz XBZGVWCFHLLEMA-IBGZPJMESA-N 1 1 489.665 2.626 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294674934 1062235004 /nfs/dbraw/zinc/23/50/04/1062235004.db2.gz OUEKCPRFVUYFBB-ZWOKBUDYSA-N 1 1 466.030 2.757 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCCCC2)CC1 ZINC001294684661 1062245208 /nfs/dbraw/zinc/24/52/08/1062245208.db2.gz WIFVQZCTNYCRBU-FQEVSTJZSA-N 1 1 480.723 2.755 20 0 JFADMO CCC(CC)[C@H](CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)[NH+]1CCOCC1 ZINC001290465218 1062249954 /nfs/dbraw/zinc/24/99/54/1062249954.db2.gz HXJIEGDMXZJRPN-PMACEKPBSA-N 1 1 453.624 2.656 20 0 JFADMO CCC(CC)[C@@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCOCC1 ZINC001290465464 1062250774 /nfs/dbraw/zinc/25/07/74/1062250774.db2.gz JYNVERBJPCSKOH-LJQANCHMSA-N 1 1 450.381 2.897 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001294692874 1062252328 /nfs/dbraw/zinc/25/23/28/1062252328.db2.gz DRDPMHUECNITRS-GVDBMIGSSA-N 1 1 462.611 2.634 20 0 JFADMO Cc1nc(CN2CCCN(c3nnc(C)n3Cc3ccccc3C[N@H+](C)C(C)C)CC2)no1 ZINC001290467875 1062253537 /nfs/dbraw/zinc/25/35/37/1062253537.db2.gz MEBNMBGKYLYHHJ-UHFFFAOYSA-N 1 1 452.607 2.879 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001294694695 1062255200 /nfs/dbraw/zinc/25/52/00/1062255200.db2.gz LMKINDCTDOMJTG-ZJCBTPCYSA-N 1 1 476.666 2.845 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 ZINC001294695583 1062257053 /nfs/dbraw/zinc/25/70/53/1062257053.db2.gz OFQGRBQCOKBZCD-QGZVFWFLSA-N 1 1 499.479 2.545 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001294696354 1062258005 /nfs/dbraw/zinc/25/80/05/1062258005.db2.gz QTYRYLQFUVJQAJ-MYGLTJDJSA-N 1 1 496.722 2.796 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294697593 1062259262 /nfs/dbraw/zinc/25/92/62/1062259262.db2.gz UVDQZOJAROBPNK-SJLPKXTDSA-N 1 1 492.466 2.978 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294697589 1062259488 /nfs/dbraw/zinc/25/94/88/1062259488.db2.gz UVDQZOJAROBPNK-AEFFLSMTSA-N 1 1 492.466 2.978 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698838 1062262757 /nfs/dbraw/zinc/26/27/57/1062262757.db2.gz ZOTFLGZVUGYOLK-FXAWDEMLSA-N 1 1 466.627 2.928 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264906 /nfs/dbraw/zinc/26/49/06/1062264906.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 1 1 498.720 2.929 20 0 JFADMO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC001290474757 1062265663 /nfs/dbraw/zinc/26/56/63/1062265663.db2.gz SFVHKYMOWDHOHP-KRWDZBQOSA-N 1 1 484.630 2.828 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001294700394 1062265702 /nfs/dbraw/zinc/26/57/02/1062265702.db2.gz SEPKCLCLVATTBE-AZUAARDMSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294700538 1062266766 /nfs/dbraw/zinc/26/67/66/1062266766.db2.gz XMPYEMBPCNAMQF-LVCYWYKZSA-N 1 1 459.566 2.709 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001294701441 1062267376 /nfs/dbraw/zinc/26/73/76/1062267376.db2.gz ZYNFVQJRUHUIFU-IBGZPJMESA-N 1 1 456.591 2.553 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294706327 1062269819 /nfs/dbraw/zinc/26/98/19/1062269819.db2.gz ASICCRCNEYRCAP-NHCUHLMSSA-N 1 1 457.623 2.794 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294706716 1062270422 /nfs/dbraw/zinc/27/04/22/1062270422.db2.gz CSKSMGBSPHEBQW-RTWAWAEBSA-N 1 1 460.648 2.536 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294707201 1062271071 /nfs/dbraw/zinc/27/10/71/1062271071.db2.gz FEVDWRLQGIEFSU-TZIWHRDSSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001294707769 1062272559 /nfs/dbraw/zinc/27/25/59/1062272559.db2.gz AQKOGEWCNABBIW-OAQYLSRUSA-N 1 1 470.618 2.747 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001294707767 1062273020 /nfs/dbraw/zinc/27/30/20/1062273020.db2.gz AQKOGEWCNABBIW-NRFANRHFSA-N 1 1 470.618 2.747 20 0 JFADMO Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001290489300 1062275815 /nfs/dbraw/zinc/27/58/15/1062275815.db2.gz OMBJQQSZUIAQDS-FDDCHVKYSA-N 1 1 491.662 2.818 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709374 1062277056 /nfs/dbraw/zinc/27/70/56/1062277056.db2.gz VGCFGCOAYBURDM-NHCUHLMSSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C ZINC001294709453 1062277839 /nfs/dbraw/zinc/27/78/39/1062277839.db2.gz MARGQOWKIJOIMN-QGZVFWFLSA-N 1 1 463.030 2.688 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001294710028 1062278207 /nfs/dbraw/zinc/27/82/07/1062278207.db2.gz NCACVTBSIPJIRX-FQEVSTJZSA-N 1 1 456.639 2.652 20 0 JFADMO CC(C)(C)[S@@](=O)CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287091028 1062283874 /nfs/dbraw/zinc/28/38/74/1062283874.db2.gz YLSWVERVHCPUEG-UMSFTDKQSA-N 1 1 493.649 2.844 20 0 JFADMO CC(C)(Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC001287092332 1062288230 /nfs/dbraw/zinc/28/82/30/1062288230.db2.gz AHBZPSRYFKTROX-RTBURBONSA-N 1 1 497.562 2.932 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C2CCC(C)CC2)cn1 ZINC001290500618 1062291854 /nfs/dbraw/zinc/29/18/54/1062291854.db2.gz CSWUQECESULQBK-GNZRSQJKSA-N 1 1 486.646 2.841 20 0 JFADMO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294719509 1062293357 /nfs/dbraw/zinc/29/33/57/1062293357.db2.gz GOWYXGYBHYMHFL-QFQXNSOFSA-N 1 1 490.693 2.889 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCOC(C)(C)C2)cc1F ZINC001290502232 1062297506 /nfs/dbraw/zinc/29/75/06/1062297506.db2.gz YZLBUBSLBWFYTB-UHFFFAOYSA-N 1 1 455.538 2.713 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(S(C)(=O)=O)CC2)cn1 ZINC001290503010 1062298592 /nfs/dbraw/zinc/29/85/92/1062298592.db2.gz CBBZQAMYYKPKDT-UHFFFAOYSA-N 1 1 471.631 2.818 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccccn3)nnc2N(C)[C@H](C)CS(C)(=O)=O)cc1F ZINC001290503480 1062299183 /nfs/dbraw/zinc/29/91/83/1062299183.db2.gz HZBPZURLLPPHRI-MRXNPFEDSA-N 1 1 483.573 2.891 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001290503953 1062299848 /nfs/dbraw/zinc/29/98/48/1062299848.db2.gz NTDWTPIKEFPXIN-HKUYNNGSSA-N 1 1 488.637 2.751 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)cn1 ZINC001290504694 1062302085 /nfs/dbraw/zinc/30/20/85/1062302085.db2.gz XNVLDCDXAMWSJP-HXUWFJFHSA-N 1 1 471.631 2.818 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001290506025 1062303417 /nfs/dbraw/zinc/30/34/17/1062303417.db2.gz GLSOFQLGXCGRML-UHFFFAOYSA-N 1 1 467.578 2.635 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290507166 1062304688 /nfs/dbraw/zinc/30/46/88/1062304688.db2.gz JUTLYGYAWCWQSX-KRWDZBQOSA-N 1 1 455.538 2.648 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001290507353 1062305599 /nfs/dbraw/zinc/30/55/99/1062305599.db2.gz KYISELQNEUACNH-IBGZPJMESA-N 1 1 490.605 2.995 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC(C)C)CC1 ZINC001290507771 1062306017 /nfs/dbraw/zinc/30/60/17/1062306017.db2.gz OZDQPOJSICXPDZ-IBGZPJMESA-N 1 1 464.636 2.559 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001290507837 1062306191 /nfs/dbraw/zinc/30/61/91/1062306191.db2.gz SCZPWUVCDYESMJ-UHFFFAOYSA-N 1 1 467.622 2.899 20 0 JFADMO CC(C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287099577 1062308289 /nfs/dbraw/zinc/30/82/89/1062308289.db2.gz IJSHGIPEFLDZDC-INIZCTEOSA-N 1 1 464.408 2.637 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCOC1 ZINC001290510846 1062309014 /nfs/dbraw/zinc/30/90/14/1062309014.db2.gz HCPMRMYUNPUJRG-IBGZPJMESA-N 1 1 457.966 2.682 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001290511358 1062310726 /nfs/dbraw/zinc/31/07/26/1062310726.db2.gz RSZABDDXVSDFLY-OAHLLOKOSA-N 1 1 475.395 2.723 20 0 JFADMO Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001290511375 1062310994 /nfs/dbraw/zinc/31/09/94/1062310994.db2.gz SGCQRTZCQBVGLM-UHFFFAOYSA-N 1 1 482.608 2.863 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001290513579 1062312195 /nfs/dbraw/zinc/31/21/95/1062312195.db2.gz DSVOIVHFEMFXAI-SFHVURJKSA-N 1 1 465.606 2.707 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001290514259 1062312756 /nfs/dbraw/zinc/31/27/56/1062312756.db2.gz IVOZXCUPHRNYFM-INIZCTEOSA-N 1 1 478.022 2.664 20 0 JFADMO Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001290514636 1062313421 /nfs/dbraw/zinc/31/34/21/1062313421.db2.gz AADXZGWQZFXKJI-UHFFFAOYSA-N 1 1 453.639 2.908 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001290517991 1062318868 /nfs/dbraw/zinc/31/88/68/1062318868.db2.gz QYORFRWVTXOSED-LJQANCHMSA-N 1 1 457.966 2.853 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001290518109 1062319811 /nfs/dbraw/zinc/31/98/11/1062319811.db2.gz VZAKJGUVLCCOSB-UHFFFAOYSA-N 1 1 452.563 2.914 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001290518179 1062319865 /nfs/dbraw/zinc/31/98/65/1062319865.db2.gz YNDJWUIMQAAXMA-HOTGVXAUSA-N 1 1 457.966 2.680 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001294735427 1062320407 /nfs/dbraw/zinc/32/04/07/1062320407.db2.gz RLMUZDMJSHOLIW-UHFFFAOYSA-N 1 1 461.614 2.845 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2Br)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001290521876 1062322481 /nfs/dbraw/zinc/32/24/81/1062322481.db2.gz CHPPHKOSNCKKCS-UHFFFAOYSA-N 1 1 493.431 2.926 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001290523954 1062324439 /nfs/dbraw/zinc/32/44/39/1062324439.db2.gz VRWIPVWYPIZJBX-IBGZPJMESA-N 1 1 488.637 2.559 20 0 JFADMO Cc1[nH+]ccn1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001290524363 1062325031 /nfs/dbraw/zinc/32/50/31/1062325031.db2.gz ADVUWAGRYIHSKN-UHFFFAOYSA-N 1 1 451.575 2.740 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001290524121 1062325079 /nfs/dbraw/zinc/32/50/79/1062325079.db2.gz YHAIVRBRKRCXMP-UHFFFAOYSA-N 1 1 456.982 2.893 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290524385 1062325120 /nfs/dbraw/zinc/32/51/20/1062325120.db2.gz AVHLVVAAEMXLNL-NRFANRHFSA-N 1 1 499.591 2.943 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001290524364 1062325152 /nfs/dbraw/zinc/32/51/52/1062325152.db2.gz AEFPTWAKXJZZTH-HNNXBMFYSA-N 1 1 466.970 2.814 20 0 JFADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741893 1062328307 /nfs/dbraw/zinc/32/83/07/1062328307.db2.gz SRONZDAMFXGAQO-BLLLJJGKSA-N 1 1 453.914 2.580 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001294742876 1062330254 /nfs/dbraw/zinc/33/02/54/1062330254.db2.gz HNAVWRFBRGXZPK-UHFFFAOYSA-N 1 1 488.608 2.556 20 0 JFADMO CCCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001294742876 1062330276 /nfs/dbraw/zinc/33/02/76/1062330276.db2.gz HNAVWRFBRGXZPK-UHFFFAOYSA-N 1 1 488.608 2.556 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccccc2F)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001290530301 1062332441 /nfs/dbraw/zinc/33/24/41/1062332441.db2.gz ZSJHEWNNCGEVFY-UHFFFAOYSA-N 1 1 467.471 2.886 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001287113376 1062332831 /nfs/dbraw/zinc/33/28/31/1062332831.db2.gz JLGVFCVBOOCBST-UHFFFAOYSA-N 1 1 492.571 2.573 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001294743681 1062333092 /nfs/dbraw/zinc/33/30/92/1062333092.db2.gz DUICVQKPWOYRNB-QFIPXVFZSA-N 1 1 481.645 2.643 20 0 JFADMO CCCN1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001294743874 1062333390 /nfs/dbraw/zinc/33/33/90/1062333390.db2.gz YBYGZJFMKVYZTB-IFMALSPDSA-N 1 1 490.693 2.756 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 ZINC001294744002 1062334591 /nfs/dbraw/zinc/33/45/91/1062334591.db2.gz JMNUOEMTCRSNJI-ROUUACIJSA-N 1 1 472.725 2.875 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294744455 1062335839 /nfs/dbraw/zinc/33/58/39/1062335839.db2.gz USRRENYVENTGFK-JKSUJKDBSA-N 1 1 467.496 2.567 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294745553 1062337594 /nfs/dbraw/zinc/33/75/94/1062337594.db2.gz RTXUXRDOUXPZBE-FCHUYYIVSA-N 1 1 474.675 2.776 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294745191 1062337716 /nfs/dbraw/zinc/33/77/16/1062337716.db2.gz KJGDETWGBNBQNX-FQEVSTJZSA-N 1 1 458.607 2.700 20 0 JFADMO Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001290538821 1062339561 /nfs/dbraw/zinc/33/95/61/1062339561.db2.gz UVZAMZSHIIELQL-UHFFFAOYSA-N 1 1 455.998 2.759 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294748854 1062340052 /nfs/dbraw/zinc/34/00/52/1062340052.db2.gz HKVQSKIONAOHQQ-FQEVSTJZSA-N 1 1 490.674 2.688 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001290541370 1062341268 /nfs/dbraw/zinc/34/12/68/1062341268.db2.gz FIQBVFRDHSXRAL-KRWDZBQOSA-N 1 1 465.606 2.644 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294753614 1062342607 /nfs/dbraw/zinc/34/26/07/1062342607.db2.gz OYNLZOODQZITQR-ICSRJNTNSA-N 1 1 452.669 2.528 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294753829 1062342704 /nfs/dbraw/zinc/34/27/04/1062342704.db2.gz QPPUSIHKHCOAEK-OALUTQOASA-N 1 1 470.622 2.961 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC001294753597 1062342845 /nfs/dbraw/zinc/34/28/45/1062342845.db2.gz OPNKACOTRZMZIF-QYZOEREBSA-N 1 1 485.599 2.814 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001290542682 1062343935 /nfs/dbraw/zinc/34/39/35/1062343935.db2.gz SYWUCLBWDJGQCY-XDHUDOTRSA-N 1 1 459.639 2.788 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294756462 1062346604 /nfs/dbraw/zinc/34/66/04/1062346604.db2.gz AHNOHIJWRFLZKX-GMAHTHKFSA-N 1 1 488.702 2.798 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294759353 1062349269 /nfs/dbraw/zinc/34/92/69/1062349269.db2.gz CDCJCRCIOKWHMP-YZUZCNPQSA-N 1 1 497.706 2.597 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C ZINC001294759519 1062349441 /nfs/dbraw/zinc/34/94/41/1062349441.db2.gz FLOMLSGJUAKIAJ-NRFANRHFSA-N 1 1 459.683 2.585 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294759572 1062350009 /nfs/dbraw/zinc/35/00/09/1062350009.db2.gz GNEZNPFHGVTZAL-IPJJNNNSSA-N 1 1 488.599 2.877 20 0 JFADMO O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001290553369 1062355471 /nfs/dbraw/zinc/35/54/71/1062355471.db2.gz AWJWVWSRBCKRTI-WIOPSUGQSA-N 1 1 452.555 2.953 20 0 JFADMO CCCn1nc(-c2nnc(N(C)OC)n2CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2c1=O ZINC001294766491 1062358854 /nfs/dbraw/zinc/35/88/54/1062358854.db2.gz PWEISLDLDHBNLJ-GOSISDBHSA-N 1 1 469.590 2.564 20 0 JFADMO CCCn1nc(-c2nnc(N(C)OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2c1=O ZINC001294766493 1062358977 /nfs/dbraw/zinc/35/89/77/1062358977.db2.gz PWEISLDLDHBNLJ-SFHVURJKSA-N 1 1 469.590 2.564 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287120162 1062361633 /nfs/dbraw/zinc/36/16/33/1062361633.db2.gz ZXPSDHOAXXGKAW-FQEVSTJZSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287120162 1062361655 /nfs/dbraw/zinc/36/16/55/1062361655.db2.gz ZXPSDHOAXXGKAW-FQEVSTJZSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287120162 1062361675 /nfs/dbraw/zinc/36/16/75/1062361675.db2.gz ZXPSDHOAXXGKAW-FQEVSTJZSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001287120164 1062361747 /nfs/dbraw/zinc/36/17/47/1062361747.db2.gz ZXPSDHOAXXGKAW-HXUWFJFHSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287120164 1062361768 /nfs/dbraw/zinc/36/17/68/1062361768.db2.gz ZXPSDHOAXXGKAW-HXUWFJFHSA-N 1 1 461.699 2.634 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001287120164 1062361791 /nfs/dbraw/zinc/36/17/91/1062361791.db2.gz ZXPSDHOAXXGKAW-HXUWFJFHSA-N 1 1 461.699 2.634 20 0 JFADMO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001290561945 1062362639 /nfs/dbraw/zinc/36/26/39/1062362639.db2.gz ISQYTBCCSCJKHO-SFHVURJKSA-N 1 1 459.534 2.945 20 0 JFADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290562174 1062363283 /nfs/dbraw/zinc/36/32/83/1062363283.db2.gz CTFMVNWMLNYJFR-QHCPKHFHSA-N 1 1 472.682 2.923 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001287120996 1062365663 /nfs/dbraw/zinc/36/56/63/1062365663.db2.gz TYFISNHDLIQBEI-HXUWFJFHSA-N 1 1 496.660 2.787 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001290563716 1062365519 /nfs/dbraw/zinc/36/55/19/1062365519.db2.gz IIHMVFKIXCJUED-UHFFFAOYSA-N 1 1 474.654 2.941 20 0 JFADMO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563297 1062365565 /nfs/dbraw/zinc/36/55/65/1062365565.db2.gz MABJHJSBHAMWPF-OYRHEFFESA-N 1 1 486.709 2.648 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121891 1062369995 /nfs/dbraw/zinc/36/99/95/1062369995.db2.gz JLMFTQYEEBTCKA-SFTDATJTSA-N 1 1 489.709 2.507 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001294771173 1062370280 /nfs/dbraw/zinc/37/02/80/1062370280.db2.gz NRWVMKIRYYFLQX-VQTJNVASSA-N 1 1 481.645 2.621 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001287122719 1062373749 /nfs/dbraw/zinc/37/37/49/1062373749.db2.gz HVPQPLDJUBLOMP-HSZRJFAPSA-N 1 1 496.704 2.997 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001287122829 1062374562 /nfs/dbraw/zinc/37/45/62/1062374562.db2.gz XOYHJWBYOQURDN-NHCUHLMSSA-N 1 1 462.683 2.801 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001287124103 1062380051 /nfs/dbraw/zinc/38/00/51/1062380051.db2.gz GLKZDEHIPPCTPY-UNMCSNQZSA-N 1 1 453.635 2.737 20 0 JFADMO COC(=O)CCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2F)C3)c1C ZINC001290577213 1062381197 /nfs/dbraw/zinc/38/11/97/1062381197.db2.gz GVUCIMMBDRGYQA-UHFFFAOYSA-N 1 1 451.502 2.566 20 0 JFADMO COC(=O)CCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2F)C3)c1C ZINC001290577213 1062381212 /nfs/dbraw/zinc/38/12/12/1062381212.db2.gz GVUCIMMBDRGYQA-UHFFFAOYSA-N 1 1 451.502 2.566 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001287124905 1062384704 /nfs/dbraw/zinc/38/47/04/1062384704.db2.gz XNQCTVMYLJRXSQ-QHCPKHFHSA-N 1 1 489.709 2.534 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001294780912 1062385168 /nfs/dbraw/zinc/38/51/68/1062385168.db2.gz OSSUQGSZKDMSNK-NZQKXSOJSA-N 1 1 495.672 2.606 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001294780915 1062385268 /nfs/dbraw/zinc/38/52/68/1062385268.db2.gz OSSUQGSZKDMSNK-OFNKIYASSA-N 1 1 495.672 2.606 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)CC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001294782754 1062389695 /nfs/dbraw/zinc/38/96/95/1062389695.db2.gz DWSRCZYTSFBQAK-REHUZNOOSA-N 1 1 478.707 2.742 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294790550 1062403146 /nfs/dbraw/zinc/40/31/46/1062403146.db2.gz RCULLYDGRPQITP-NHCUHLMSSA-N 1 1 472.634 2.946 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287132098 1062431243 /nfs/dbraw/zinc/43/12/43/1062431243.db2.gz ZUXQEWQMBTVCSB-UHFFFAOYSA-N 1 1 481.645 2.926 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287132098 1062431251 /nfs/dbraw/zinc/43/12/51/1062431251.db2.gz ZUXQEWQMBTVCSB-UHFFFAOYSA-N 1 1 481.645 2.926 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287132098 1062431259 /nfs/dbraw/zinc/43/12/59/1062431259.db2.gz ZUXQEWQMBTVCSB-UHFFFAOYSA-N 1 1 481.645 2.926 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001294800022 1062440862 /nfs/dbraw/zinc/44/08/62/1062440862.db2.gz JMLXZRXJROXLJV-HXUWFJFHSA-N 1 1 461.699 2.635 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001294800022 1062440879 /nfs/dbraw/zinc/44/08/79/1062440879.db2.gz JMLXZRXJROXLJV-HXUWFJFHSA-N 1 1 461.699 2.635 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001294800022 1062440888 /nfs/dbraw/zinc/44/08/88/1062440888.db2.gz JMLXZRXJROXLJV-HXUWFJFHSA-N 1 1 461.699 2.635 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001287133218 1062440830 /nfs/dbraw/zinc/44/08/30/1062440830.db2.gz QRWRPYLEZPEKED-JOCHJYFZSA-N 1 1 468.646 2.827 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001294801149 1062442933 /nfs/dbraw/zinc/44/29/33/1062442933.db2.gz BNVZTDCDRDJTAF-IFMALSPDSA-N 1 1 468.646 2.962 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001294801151 1062443006 /nfs/dbraw/zinc/44/30/06/1062443006.db2.gz BNVZTDCDRDJTAF-IRLDBZIGSA-N 1 1 468.646 2.962 20 0 JFADMO C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1Cc1ccccc1 ZINC001294801247 1062444113 /nfs/dbraw/zinc/44/41/13/1062444113.db2.gz GBXZKBMDLBQBPH-WMLDXEAASA-N 1 1 456.340 2.824 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001287133700 1062444494 /nfs/dbraw/zinc/44/44/94/1062444494.db2.gz VSJZPVAZLKTTTH-LJQANCHMSA-N 1 1 453.566 2.991 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001287133816 1062445842 /nfs/dbraw/zinc/44/58/42/1062445842.db2.gz GQYLPNYZSFAIBN-UHFFFAOYSA-N 1 1 461.614 2.997 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001294803520 1062452755 /nfs/dbraw/zinc/45/27/55/1062452755.db2.gz LWDSQSWKXUBASO-AEFFLSMTSA-N 1 1 459.664 2.859 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001294803522 1062452776 /nfs/dbraw/zinc/45/27/76/1062452776.db2.gz LWDSQSWKXUBASO-FUHWJXTLSA-N 1 1 459.664 2.859 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001294809616 1062463859 /nfs/dbraw/zinc/46/38/59/1062463859.db2.gz BKIMZYRRAUZFKS-FYYLOGMGSA-N 1 1 473.710 2.779 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618714 1062476107 /nfs/dbraw/zinc/47/61/07/1062476107.db2.gz XSJMYDDPEIIWFS-NRFANRHFSA-N 1 1 473.666 2.890 20 0 JFADMO CC(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001287138665 1062485999 /nfs/dbraw/zinc/48/59/99/1062485999.db2.gz AKGJMALWFJDNIL-GOSISDBHSA-N 1 1 490.599 2.609 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCCC(F)(F)F)n1 ZINC001290624303 1062488918 /nfs/dbraw/zinc/48/89/18/1062488918.db2.gz MQVWHMZEODPKHF-HXUWFJFHSA-N 1 1 455.529 2.783 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001294815007 1062493172 /nfs/dbraw/zinc/49/31/72/1062493172.db2.gz GAQCSMIUQGVFMX-UHFFFAOYSA-N 1 1 482.677 2.751 20 0 JFADMO CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287141037 1062499433 /nfs/dbraw/zinc/49/94/33/1062499433.db2.gz LFHQZBVCJXHDPY-OAQYLSRUSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001290630026 1062503597 /nfs/dbraw/zinc/50/35/97/1062503597.db2.gz XPRPWHKVMBLCCW-ICSRJNTNSA-N 1 1 472.638 2.727 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001290630025 1062503641 /nfs/dbraw/zinc/50/36/41/1062503641.db2.gz XPRPWHKVMBLCCW-AZUAARDMSA-N 1 1 472.638 2.727 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287144701 1062508941 /nfs/dbraw/zinc/50/89/41/1062508941.db2.gz IBFMXMYDCQBKTQ-NQIIRXRSSA-N 1 1 464.408 2.635 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287144701 1062508958 /nfs/dbraw/zinc/50/89/58/1062508958.db2.gz IBFMXMYDCQBKTQ-NQIIRXRSSA-N 1 1 464.408 2.635 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001294828101 1062514615 /nfs/dbraw/zinc/51/46/15/1062514615.db2.gz JURTWADLJDUMNV-NRFANRHFSA-N 1 1 472.609 2.796 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[N@H+](C)C2CCCCC2)n1 ZINC001290636622 1062520100 /nfs/dbraw/zinc/52/01/00/1062520100.db2.gz ZSEXAWMEUKMIGI-NRFANRHFSA-N 1 1 470.666 2.886 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640133 1062525787 /nfs/dbraw/zinc/52/57/87/1062525787.db2.gz RSQCVBZQMXHNJW-SIKLNZKXSA-N 1 1 470.666 2.709 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640127 1062526059 /nfs/dbraw/zinc/52/60/59/1062526059.db2.gz RQHFASSIXDZZKP-RTWAWAEBSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640127 1062526074 /nfs/dbraw/zinc/52/60/74/1062526074.db2.gz RQHFASSIXDZZKP-RTWAWAEBSA-N 1 1 491.706 2.664 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001287154811 1062536692 /nfs/dbraw/zinc/53/66/92/1062536692.db2.gz WKNYKKKFFBZQEQ-RPBOFIJWSA-N 1 1 457.619 2.608 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CC[N@H+](C)C(C)C)n1 ZINC001290647927 1062543531 /nfs/dbraw/zinc/54/35/31/1062543531.db2.gz QUURSMMMLVBKSR-UHFFFAOYSA-N 1 1 465.528 2.715 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001290650055 1062548946 /nfs/dbraw/zinc/54/89/46/1062548946.db2.gz XMSRIVPJCZAKQN-FCHUYYIVSA-N 1 1 473.666 2.628 20 0 JFADMO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1)[NH+]1CCOCC1 ZINC001287157986 1062549230 /nfs/dbraw/zinc/54/92/30/1062549230.db2.gz BDUPJFCPCWMFOB-NRFANRHFSA-N 1 1 458.655 2.732 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158343 1062551094 /nfs/dbraw/zinc/55/10/94/1062551094.db2.gz CKBJNXIEYWTYKF-HBMCJLEFSA-N 1 1 492.665 2.632 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287161521 1062563515 /nfs/dbraw/zinc/56/35/15/1062563515.db2.gz AXPJOVAAQUDHSC-ZCNNSNEGSA-N 1 1 489.665 2.623 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001290660332 1062566616 /nfs/dbraw/zinc/56/66/16/1062566616.db2.gz MAPUBSLJESAQBF-HSZRJFAPSA-N 1 1 466.634 2.713 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CCO2)n1 ZINC001290660400 1062566785 /nfs/dbraw/zinc/56/67/85/1062566785.db2.gz MPOHXNYXBXGVRG-JOCHJYFZSA-N 1 1 486.709 2.611 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660400 1062566801 /nfs/dbraw/zinc/56/68/01/1062566801.db2.gz MPOHXNYXBXGVRG-JOCHJYFZSA-N 1 1 486.709 2.611 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CCO2)n1 ZINC001290660400 1062566821 /nfs/dbraw/zinc/56/68/21/1062566821.db2.gz MPOHXNYXBXGVRG-JOCHJYFZSA-N 1 1 486.709 2.611 20 0 JFADMO CC(C)[C@@H](Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCOCC1 ZINC001287163168 1062567763 /nfs/dbraw/zinc/56/77/63/1062567763.db2.gz NSSTXWDATPFLBG-RBBKRZOGSA-N 1 1 468.646 2.805 20 0 JFADMO CC(C)[C@@H](Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287163516 1062569563 /nfs/dbraw/zinc/56/95/63/1062569563.db2.gz FBSVHXVJAFGULQ-HXUWFJFHSA-N 1 1 459.614 2.793 20 0 JFADMO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(Cl)=C(Cl)C1)[NH+]1CCOCC1 ZINC001287163749 1062571578 /nfs/dbraw/zinc/57/15/78/1062571578.db2.gz QYWPFGZOKQAAEM-SFHVURJKSA-N 1 1 471.433 2.657 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001294882880 1062596709 /nfs/dbraw/zinc/59/67/09/1062596709.db2.gz HPJTZTASKXQIGJ-XLIONFOSSA-N 1 1 492.571 2.620 20 0 JFADMO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287179617 1062603471 /nfs/dbraw/zinc/60/34/71/1062603471.db2.gz MJVLMLQBGQEFQK-HSZRJFAPSA-N 1 1 493.699 2.649 20 0 JFADMO CC(C)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287191073 1062615840 /nfs/dbraw/zinc/61/58/40/1062615840.db2.gz ZYNYQUAQKZKYLK-UHFFFAOYSA-N 1 1 454.619 2.536 20 0 JFADMO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287192767 1062621492 /nfs/dbraw/zinc/62/14/92/1062621492.db2.gz VNECIPMBMXYEGQ-CPJSRVTESA-N 1 1 492.734 2.987 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001287195705 1062626600 /nfs/dbraw/zinc/62/66/00/1062626600.db2.gz AKJFSUYETJPQQE-QFIPXVFZSA-N 1 1 475.659 2.565 20 0 JFADMO Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001290706212 1062639616 /nfs/dbraw/zinc/63/96/16/1062639616.db2.gz UGVGAQXVROBJTL-GCJKJVERSA-N 1 1 456.591 2.977 20 0 JFADMO CC(C)c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CCCNS(C)(=O)=O ZINC001287204258 1062649508 /nfs/dbraw/zinc/64/95/08/1062649508.db2.gz PCBFOXZNVVPTOH-UHFFFAOYSA-N 1 1 474.675 2.833 20 0 JFADMO CCCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294908860 1062649755 /nfs/dbraw/zinc/64/97/55/1062649755.db2.gz UTUNFUFJMVPKGD-BGYRXZFFSA-N 1 1 486.636 2.860 20 0 JFADMO Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290734568 1062656525 /nfs/dbraw/zinc/65/65/25/1062656525.db2.gz ZFRFQAIGJIBHPK-HSZRJFAPSA-N 1 1 454.619 2.620 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287212093 1062666145 /nfs/dbraw/zinc/66/61/45/1062666145.db2.gz MBKVCONFISGHPH-UHFFFAOYSA-N 1 1 485.652 2.919 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287212093 1062666163 /nfs/dbraw/zinc/66/61/63/1062666163.db2.gz MBKVCONFISGHPH-UHFFFAOYSA-N 1 1 485.652 2.919 20 0 JFADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287212093 1062666174 /nfs/dbraw/zinc/66/61/74/1062666174.db2.gz MBKVCONFISGHPH-UHFFFAOYSA-N 1 1 485.652 2.919 20 0 JFADMO Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290749974 1062667163 /nfs/dbraw/zinc/66/71/63/1062667163.db2.gz JCGRWVHSMJAPDO-HLAWJBBLSA-N 1 1 462.639 2.923 20 0 JFADMO Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290751242 1062669504 /nfs/dbraw/zinc/66/95/04/1062669504.db2.gz PHCPGFVOKBDAPK-DENIHFKCSA-N 1 1 484.649 2.543 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287213846 1062674042 /nfs/dbraw/zinc/67/40/42/1062674042.db2.gz FWSGCICQDSUMHS-PMACEKPBSA-N 1 1 459.664 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001287213846 1062674049 /nfs/dbraw/zinc/67/40/49/1062674049.db2.gz FWSGCICQDSUMHS-PMACEKPBSA-N 1 1 459.664 2.509 20 0 JFADMO Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001290800005 1062704672 /nfs/dbraw/zinc/70/46/72/1062704672.db2.gz IGHZAMCEEFCPFG-LJQANCHMSA-N 1 1 453.509 2.771 20 0 JFADMO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001290802916 1062706830 /nfs/dbraw/zinc/70/68/30/1062706830.db2.gz CJIOGRPVVQBJHV-QGZVFWFLSA-N 1 1 455.502 2.765 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294934449 1062712205 /nfs/dbraw/zinc/71/22/05/1062712205.db2.gz JJMLJLXPLHXMTF-PMACEKPBSA-N 1 1 470.618 2.929 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294934452 1062712248 /nfs/dbraw/zinc/71/22/48/1062712248.db2.gz JJMLJLXPLHXMTF-UXHICEINSA-N 1 1 470.618 2.929 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294934454 1062712378 /nfs/dbraw/zinc/71/23/78/1062712378.db2.gz JJMLJLXPLHXMTF-VQTJNVASSA-N 1 1 470.618 2.929 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001294939420 1062719421 /nfs/dbraw/zinc/71/94/21/1062719421.db2.gz RNMROPKFKYJEHD-LJQANCHMSA-N 1 1 470.618 2.753 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940652 1062726679 /nfs/dbraw/zinc/72/66/79/1062726679.db2.gz SXDCGJLCFJHHML-HXUWFJFHSA-N 1 1 470.618 2.942 20 0 JFADMO Cc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837736 1062728084 /nfs/dbraw/zinc/72/80/84/1062728084.db2.gz KMCSRVBFLNFABE-WOJBJXKFSA-N 1 1 450.628 2.971 20 0 JFADMO Cc1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837733 1062728258 /nfs/dbraw/zinc/72/82/58/1062728258.db2.gz KMCSRVBFLNFABE-PMACEKPBSA-N 1 1 450.628 2.971 20 0 JFADMO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCNC(=O)C(C)(C)C ZINC001290840685 1062730031 /nfs/dbraw/zinc/73/00/31/1062730031.db2.gz NLDHJDVVNXCPLY-VWLOTQADSA-N 1 1 454.619 2.620 20 0 JFADMO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCNC(=O)C(C)(C)C ZINC001290840685 1062730052 /nfs/dbraw/zinc/73/00/52/1062730052.db2.gz NLDHJDVVNXCPLY-VWLOTQADSA-N 1 1 454.619 2.620 20 0 JFADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1sccc1Br ZINC001290845842 1062732264 /nfs/dbraw/zinc/73/22/64/1062732264.db2.gz SYDMEIWJDGYLOP-UHFFFAOYSA-N 1 1 467.437 2.593 20 0 JFADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1sccc1Br ZINC001290845842 1062732284 /nfs/dbraw/zinc/73/22/84/1062732284.db2.gz SYDMEIWJDGYLOP-UHFFFAOYSA-N 1 1 467.437 2.593 20 0 JFADMO NS(=O)(=O)c1sccc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001294955708 1062740163 /nfs/dbraw/zinc/74/01/63/1062740163.db2.gz ZMNIVXMVKOAYJO-UHFFFAOYSA-N 1 1 458.403 2.552 20 0 JFADMO CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC001294959055 1062741801 /nfs/dbraw/zinc/74/18/01/1062741801.db2.gz YFOKCLDXFWODHJ-IBGZPJMESA-N 1 1 453.591 2.673 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001287273860 1062746693 /nfs/dbraw/zinc/74/66/93/1062746693.db2.gz GJJCBYAQJFUNKN-OALUTQOASA-N 1 1 455.607 2.907 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290868453 1062751544 /nfs/dbraw/zinc/75/15/44/1062751544.db2.gz YIJFJKHYONVYGR-FDFHNCONSA-N 1 1 473.710 2.724 20 0 JFADMO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cn1 ZINC001294969385 1062751550 /nfs/dbraw/zinc/75/15/50/1062751550.db2.gz UYZBXZXRPSCTDE-OALUTQOASA-N 1 1 455.607 2.552 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290869132 1062752718 /nfs/dbraw/zinc/75/27/18/1062752718.db2.gz CZQPJCJGZFSQSR-UHFFFAOYSA-N 1 1 459.683 2.525 20 0 JFADMO CCCOc1cccc(CCn2c(C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972882 1062755821 /nfs/dbraw/zinc/75/58/21/1062755821.db2.gz OJQBKKXTEZZHKX-NBGIEHNGSA-N 1 1 468.646 2.997 20 0 JFADMO Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875798 1062759632 /nfs/dbraw/zinc/75/96/32/1062759632.db2.gz GEFURLPMSZOOEI-NRFANRHFSA-N 1 1 465.017 2.853 20 0 JFADMO Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875915 1062760664 /nfs/dbraw/zinc/76/06/64/1062760664.db2.gz HJGUADRPUYBCCU-XPPIMPSXSA-N 1 1 462.683 2.802 20 0 JFADMO Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001290879699 1062763542 /nfs/dbraw/zinc/76/35/42/1062763542.db2.gz WAUABWDXBXJPHC-UHFFFAOYSA-N 1 1 463.026 2.552 20 0 JFADMO Cc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001290879699 1062763564 /nfs/dbraw/zinc/76/35/64/1062763564.db2.gz WAUABWDXBXJPHC-UHFFFAOYSA-N 1 1 463.026 2.552 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290881713 1062764198 /nfs/dbraw/zinc/76/41/98/1062764198.db2.gz CJYAOCJYUMHRCA-HXUWFJFHSA-N 1 1 477.451 2.953 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001290881713 1062764220 /nfs/dbraw/zinc/76/42/20/1062764220.db2.gz CJYAOCJYUMHRCA-HXUWFJFHSA-N 1 1 477.451 2.953 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001290881713 1062764240 /nfs/dbraw/zinc/76/42/40/1062764240.db2.gz CJYAOCJYUMHRCA-HXUWFJFHSA-N 1 1 477.451 2.953 20 0 JFADMO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001290886870 1062765777 /nfs/dbraw/zinc/76/57/77/1062765777.db2.gz CPQJUUJFZGJAAA-XZOQPEGZSA-N 1 1 484.645 2.881 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001287292575 1062765738 /nfs/dbraw/zinc/76/57/38/1062765738.db2.gz PTMUJGPUWPJGHE-NRFANRHFSA-N 1 1 457.692 2.868 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001287292575 1062765758 /nfs/dbraw/zinc/76/57/58/1062765758.db2.gz PTMUJGPUWPJGHE-NRFANRHFSA-N 1 1 457.692 2.868 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001287292575 1062765775 /nfs/dbraw/zinc/76/57/75/1062765775.db2.gz PTMUJGPUWPJGHE-NRFANRHFSA-N 1 1 457.692 2.868 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC001290890258 1062768328 /nfs/dbraw/zinc/76/83/28/1062768328.db2.gz BNCVYMVHRHYDAD-GAJHUEQPSA-N 1 1 451.546 2.794 20 0 JFADMO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891514 1062768731 /nfs/dbraw/zinc/76/87/31/1062768731.db2.gz NLUHBXBYLLGCAL-AEFFLSMTSA-N 1 1 459.450 2.891 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 ZINC001290891514 1062768747 /nfs/dbraw/zinc/76/87/47/1062768747.db2.gz NLUHBXBYLLGCAL-AEFFLSMTSA-N 1 1 459.450 2.891 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001287299065 1062772271 /nfs/dbraw/zinc/77/22/71/1062772271.db2.gz MKESZRSFCUWKJN-XLNZFTOWSA-N 1 1 494.706 2.995 20 0 JFADMO CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001290901733 1062773376 /nfs/dbraw/zinc/77/33/76/1062773376.db2.gz IWJNUTPLTFXFBS-LJQANCHMSA-N 1 1 452.640 2.671 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287304299 1062775086 /nfs/dbraw/zinc/77/50/86/1062775086.db2.gz CJQAPPJUGQIZKP-GMAHTHKFSA-N 1 1 456.635 2.872 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294987012 1062775236 /nfs/dbraw/zinc/77/52/36/1062775236.db2.gz MDBQKEPTXIXIDM-QHAWAJNXSA-N 1 1 464.655 2.701 20 0 JFADMO CC(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287304299 1062775108 /nfs/dbraw/zinc/77/51/08/1062775108.db2.gz CJQAPPJUGQIZKP-GMAHTHKFSA-N 1 1 456.635 2.872 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001295005822 1062792851 /nfs/dbraw/zinc/79/28/51/1062792851.db2.gz IBGPCXBHKQLNLY-YADHBBJMSA-N 1 1 476.666 2.543 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295009578 1062798130 /nfs/dbraw/zinc/79/81/30/1062798130.db2.gz XTMWMEJVLULNIX-NBGIEHNGSA-N 1 1 473.618 2.718 20 0 JFADMO Cc1noc(C)c1CN(C)c1nnc(-c2ccccn2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290924434 1062798950 /nfs/dbraw/zinc/79/89/50/1062798950.db2.gz GONMBDDQONGESZ-UHFFFAOYSA-N 1 1 452.607 2.855 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295014589 1062804140 /nfs/dbraw/zinc/80/41/40/1062804140.db2.gz DJHBWXACNQNNDM-LJQANCHMSA-N 1 1 477.679 2.692 20 0 JFADMO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329178 1062804977 /nfs/dbraw/zinc/80/49/77/1062804977.db2.gz RTRJEACWAUDNSP-LOSJGSFVSA-N 1 1 498.720 2.548 20 0 JFADMO CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295014713 1062805209 /nfs/dbraw/zinc/80/52/09/1062805209.db2.gz KNGDKMUKBKRUET-HXUWFJFHSA-N 1 1 454.619 2.906 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295016837 1062812089 /nfs/dbraw/zinc/81/20/89/1062812089.db2.gz CPHCJYBKAUIGOG-HXUWFJFHSA-N 1 1 489.690 2.759 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295016836 1062812165 /nfs/dbraw/zinc/81/21/65/1062812165.db2.gz CPHCJYBKAUIGOG-FQEVSTJZSA-N 1 1 489.690 2.759 20 0 JFADMO Cc1noc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001290936825 1062812078 /nfs/dbraw/zinc/81/20/78/1062812078.db2.gz MYVYMYOIDCZZLM-UHFFFAOYSA-N 1 1 457.623 2.654 20 0 JFADMO Cc1noc(C)c1Cn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001290936825 1062812101 /nfs/dbraw/zinc/81/21/01/1062812101.db2.gz MYVYMYOIDCZZLM-UHFFFAOYSA-N 1 1 457.623 2.654 20 0 JFADMO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340661 1062818135 /nfs/dbraw/zinc/81/81/35/1062818135.db2.gz HEVOKBJLYAHYCA-FCHUYYIVSA-N 1 1 458.655 2.552 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295020768 1062821750 /nfs/dbraw/zinc/82/17/50/1062821750.db2.gz DLQHKQBKCQRDFQ-OALUTQOASA-N 1 1 466.696 2.649 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295022283 1062825615 /nfs/dbraw/zinc/82/56/15/1062825615.db2.gz QUMYVGKOUWGPPM-HXUWFJFHSA-N 1 1 466.696 2.649 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295023113 1062827303 /nfs/dbraw/zinc/82/73/03/1062827303.db2.gz WGYRSIWLRWGVHV-LJQANCHMSA-N 1 1 492.665 2.791 20 0 JFADMO Cc1noc(CCCn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290952719 1062828409 /nfs/dbraw/zinc/82/84/09/1062828409.db2.gz RPZJUPBRXLAKKA-UHFFFAOYSA-N 1 1 457.554 2.955 20 0 JFADMO Cc1noc(CCCn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290952719 1062828434 /nfs/dbraw/zinc/82/84/34/1062828434.db2.gz RPZJUPBRXLAKKA-UHFFFAOYSA-N 1 1 457.554 2.955 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295023646 1062829074 /nfs/dbraw/zinc/82/90/74/1062829074.db2.gz LHLNPGCJDLVYQP-TZIWHRDSSA-N 1 1 496.722 2.938 20 0 JFADMO C[C@H](CNC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290955053 1062830793 /nfs/dbraw/zinc/83/07/93/1062830793.db2.gz SIUGHFUYBFYVII-UTKZUKDTSA-N 1 1 454.575 2.528 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287368014 1062831219 /nfs/dbraw/zinc/83/12/19/1062831219.db2.gz DBYZBMDNTUOQDJ-UHFFFAOYSA-N 1 1 452.607 2.805 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CC[N@H+]1CCOCC1(C)C ZINC001287368014 1062831247 /nfs/dbraw/zinc/83/12/47/1062831247.db2.gz DBYZBMDNTUOQDJ-UHFFFAOYSA-N 1 1 452.607 2.805 20 0 JFADMO CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287373074 1062832394 /nfs/dbraw/zinc/83/23/94/1062832394.db2.gz VAXRZLSSWIUKFA-LEWJYISDSA-N 1 1 484.645 2.696 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287384918 1062836025 /nfs/dbraw/zinc/83/60/25/1062836025.db2.gz JQYUIRUMCJZKQA-PMACEKPBSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001295041645 1062839049 /nfs/dbraw/zinc/83/90/49/1062839049.db2.gz LEIDYACIYDFWFF-ZDUSSCGKSA-N 1 1 455.930 2.731 20 0 JFADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001290967008 1062841306 /nfs/dbraw/zinc/84/13/06/1062841306.db2.gz KJVOFZKXGKYEJI-UHFFFAOYSA-N 1 1 451.614 2.873 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001295047970 1062851070 /nfs/dbraw/zinc/85/10/70/1062851070.db2.gz BZMYGGYPZYEUDQ-NLWGTHIKSA-N 1 1 472.638 2.997 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287413828 1062852731 /nfs/dbraw/zinc/85/27/31/1062852731.db2.gz OUQWSYDGUQPZOE-IBGZPJMESA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287413828 1062852754 /nfs/dbraw/zinc/85/27/54/1062852754.db2.gz OUQWSYDGUQPZOE-IBGZPJMESA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287414420 1062853729 /nfs/dbraw/zinc/85/37/29/1062853729.db2.gz ZAFSRGFZIKVZCZ-IBGZPJMESA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001287414690 1062854193 /nfs/dbraw/zinc/85/41/93/1062854193.db2.gz SCRFTCQLIZRETO-FQEVSTJZSA-N 1 1 468.712 2.849 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001287414763 1062854274 /nfs/dbraw/zinc/85/42/74/1062854274.db2.gz URXWGQQIWSSGFB-LJQANCHMSA-N 1 1 450.628 2.645 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001287417582 1062855230 /nfs/dbraw/zinc/85/52/30/1062855230.db2.gz BBAFVHWVYWYYTM-HJOGWXRNSA-N 1 1 475.726 2.581 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287420422 1062859812 /nfs/dbraw/zinc/85/98/12/1062859812.db2.gz QNCGYRDTGLNOFZ-NVQXNPDNSA-N 1 1 486.636 2.656 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001287442102 1062874708 /nfs/dbraw/zinc/87/47/08/1062874708.db2.gz CMWIBHMOEQGEPQ-NHCUHLMSSA-N 1 1 468.712 2.705 20 0 JFADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC001290989956 1062880647 /nfs/dbraw/zinc/88/06/47/1062880647.db2.gz PJBPPQSAQDATSS-YPAWHYETSA-N 1 1 487.737 2.976 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001290997834 1062890340 /nfs/dbraw/zinc/89/03/40/1062890340.db2.gz NBQUESZUOFTGPJ-HSALFYBXSA-N 1 1 453.635 2.687 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001290998319 1062891677 /nfs/dbraw/zinc/89/16/77/1062891677.db2.gz OYGWYGDIZWRYTQ-BGYRXZFFSA-N 1 1 488.702 2.982 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290999161 1062892913 /nfs/dbraw/zinc/89/29/13/1062892913.db2.gz RFZOXYRLKPLCLV-KDURUIRLSA-N 1 1 458.655 2.644 20 0 JFADMO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001290999200 1062893790 /nfs/dbraw/zinc/89/37/90/1062893790.db2.gz JLIMMZHMFJMWAJ-STXHMFSFSA-N 1 1 451.413 2.595 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291002499 1062899718 /nfs/dbraw/zinc/89/97/18/1062899718.db2.gz VMINUOSMSZRGNO-MSZDEVHKSA-N 1 1 490.693 2.744 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287461714 1062900007 /nfs/dbraw/zinc/90/00/07/1062900007.db2.gz AVWOQIGQPGNOLZ-OYRHEFFESA-N 1 1 484.645 2.644 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462907 1062903751 /nfs/dbraw/zinc/90/37/51/1062903751.db2.gz VAYXGTBREFGMHD-OFVILXPXSA-N 1 1 489.064 2.781 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001291009258 1062906250 /nfs/dbraw/zinc/90/62/50/1062906250.db2.gz CJRWQTUHFJFCPT-BGYRXZFFSA-N 1 1 496.660 2.775 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291011179 1062911156 /nfs/dbraw/zinc/91/11/56/1062911156.db2.gz GURBGXARDRVJLS-BHIFYINESA-N 1 1 496.722 2.750 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291011862 1062913485 /nfs/dbraw/zinc/91/34/85/1062913485.db2.gz QRJXFODCIIOQPE-BGYRXZFFSA-N 1 1 477.617 2.762 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011808 1062913734 /nfs/dbraw/zinc/91/37/34/1062913734.db2.gz PZCTVCLZEHSJTL-MHTWAQMVSA-N 1 1 469.696 2.800 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@H]32)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012119 1062915029 /nfs/dbraw/zinc/91/50/29/1062915029.db2.gz UUVHJJCBJZAKSA-PXTPFGJHSA-N 1 1 452.669 2.635 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011999 1062915106 /nfs/dbraw/zinc/91/51/06/1062915106.db2.gz SJXDOIGDMKJZDA-XAPVIXHLSA-N 1 1 496.722 2.509 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012710 1062917935 /nfs/dbraw/zinc/91/79/35/1062917935.db2.gz DCMPWCBXOPDOGK-KSZLIROESA-N 1 1 496.582 2.551 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013086 1062918911 /nfs/dbraw/zinc/91/89/11/1062918911.db2.gz IQWJLXVJRFZKRI-CEXWTWQISA-N 1 1 485.599 2.672 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001287471588 1062920072 /nfs/dbraw/zinc/92/00/72/1062920072.db2.gz OREPDXMLSPKPMV-UHFFFAOYSA-N 1 1 452.582 2.864 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013782 1062921859 /nfs/dbraw/zinc/92/18/59/1062921859.db2.gz RQYQKPXGCJYZQW-FDKIHUSFSA-N 1 1 469.696 2.798 20 0 JFADMO CCN(C)C(=O)Cn1c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085481 1062922566 /nfs/dbraw/zinc/92/25/66/1062922566.db2.gz XTFKSICWQAQDAH-GJZUVCINSA-N 1 1 484.645 2.508 20 0 JFADMO CCN(C)C(=O)Cn1c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085488 1062922621 /nfs/dbraw/zinc/92/26/21/1062922621.db2.gz XVCDXMSTSGSRPY-GJZUVCINSA-N 1 1 484.645 2.508 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001291014946 1062924435 /nfs/dbraw/zinc/92/44/35/1062924435.db2.gz KOCXJWFFWZKNSO-ZRZAMGCNSA-N 1 1 487.737 2.979 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476329 1062928814 /nfs/dbraw/zinc/92/88/14/1062928814.db2.gz ISRJRTDDAPPIHU-CTNGQTDRSA-N 1 1 486.636 2.649 20 0 JFADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001295109606 1062934263 /nfs/dbraw/zinc/93/42/63/1062934263.db2.gz XLVAMEMQZBSFST-QFIPXVFZSA-N 1 1 456.612 2.536 20 0 JFADMO C[C@H]1C[C@H](CCn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001291020832 1062938407 /nfs/dbraw/zinc/93/84/07/1062938407.db2.gz KWHLQOQNALAYIP-ILWGZMRPSA-N 1 1 475.659 2.911 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)CC2)c1 ZINC001295126200 1062939851 /nfs/dbraw/zinc/93/98/51/1062939851.db2.gz CTPAMBCTQLLKCH-YADARESESA-N 1 1 492.690 2.784 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)c1 ZINC001295126274 1062940051 /nfs/dbraw/zinc/94/00/51/1062940051.db2.gz DNRRRDVZGIEAHN-UHFFFAOYSA-N 1 1 494.562 2.908 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001287486161 1062941958 /nfs/dbraw/zinc/94/19/58/1062941958.db2.gz GYIVYIFIAYSKBL-LJQANCHMSA-N 1 1 469.055 2.515 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCC(C(=O)Nc3nncs3)CC2)c1 ZINC001295126658 1062942680 /nfs/dbraw/zinc/94/26/80/1062942680.db2.gz HPVOQXSMGMRIFF-UHFFFAOYSA-N 1 1 454.604 2.793 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001295126626 1062943065 /nfs/dbraw/zinc/94/30/65/1062943065.db2.gz GMEOWJZYHWXCPV-VWLOTQADSA-N 1 1 467.618 2.716 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001295127144 1062944841 /nfs/dbraw/zinc/94/48/41/1062944841.db2.gz MEPACZAENWXPJS-LVCYWYKZSA-N 1 1 463.648 2.540 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001295127269 1062945807 /nfs/dbraw/zinc/94/58/07/1062945807.db2.gz NUBDSFXNKVBPNU-UHFFFAOYSA-N 1 1 495.672 2.709 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287488355 1062946462 /nfs/dbraw/zinc/94/64/62/1062946462.db2.gz AHDUTAFIHRHTAE-DFIYOIEZSA-N 1 1 473.666 2.850 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287506655 1062954643 /nfs/dbraw/zinc/95/46/43/1062954643.db2.gz NZPQCVOPAUXRRP-SFHVURJKSA-N 1 1 450.628 2.691 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287506655 1062954670 /nfs/dbraw/zinc/95/46/70/1062954670.db2.gz NZPQCVOPAUXRRP-SFHVURJKSA-N 1 1 450.628 2.691 20 0 JFADMO CCN(c1nnc(C(C)C)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140501 1062958614 /nfs/dbraw/zinc/95/86/14/1062958614.db2.gz CSBQDOCJQZXAJS-FCHUYYIVSA-N 1 1 459.660 2.980 20 0 JFADMO CCN(c1nnc(C(C)C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140643 1062958954 /nfs/dbraw/zinc/95/89/54/1062958954.db2.gz CSBQDOCJQZXAJS-FGZHOGPDSA-N 1 1 459.660 2.980 20 0 JFADMO C[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291032385 1062963300 /nfs/dbraw/zinc/96/33/00/1062963300.db2.gz OKJNDEWOXMYJDA-OFNKIYASSA-N 1 1 482.654 2.798 20 0 JFADMO C[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291032385 1062963325 /nfs/dbraw/zinc/96/33/25/1062963325.db2.gz OKJNDEWOXMYJDA-OFNKIYASSA-N 1 1 482.654 2.798 20 0 JFADMO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965538 /nfs/dbraw/zinc/96/55/38/1062965538.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 1 1 451.611 2.909 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291043357 1062972086 /nfs/dbraw/zinc/97/20/86/1062972086.db2.gz BPZBWNXWHSWZAO-SQNIBIBYSA-N 1 1 466.627 2.784 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(C)(=O)=O)CC1 ZINC001291052385 1062983980 /nfs/dbraw/zinc/98/39/80/1062983980.db2.gz SKJUUNOUJJONJW-KDURUIRLSA-N 1 1 495.093 2.638 20 0 JFADMO CCN(c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295170920 1062994810 /nfs/dbraw/zinc/99/48/10/1062994810.db2.gz RBVGDRGZIXZBEJ-KRWDZBQOSA-N 1 1 479.006 2.826 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060750 1062995912 /nfs/dbraw/zinc/99/59/12/1062995912.db2.gz NZTPVRHZWCBNEO-XLCOUGHXSA-N 1 1 496.722 2.746 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180977 1063004138 /nfs/dbraw/zinc/00/41/38/1063004138.db2.gz UHJJDIPQFXPKDG-TZIWHRDSSA-N 1 1 468.627 2.874 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1CCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295184985 1063008157 /nfs/dbraw/zinc/00/81/57/1063008157.db2.gz PXNOTQYTBHXDTL-WOJBJXKFSA-N 1 1 460.648 2.866 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCS(C)(=O)=O ZINC001291064852 1063008465 /nfs/dbraw/zinc/00/84/65/1063008465.db2.gz PRHBVQYXFROVQL-INIZCTEOSA-N 1 1 453.678 2.952 20 0 JFADMO C[C@H](Cn1c(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@@H+](C)C1CC1 ZINC001291077042 1063028011 /nfs/dbraw/zinc/02/80/11/1063028011.db2.gz WRJYHKBIDNWRDD-NJYVYQBISA-N 1 1 473.710 2.875 20 0 JFADMO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CCCCC1 ZINC001295216182 1063030023 /nfs/dbraw/zinc/03/00/23/1063030023.db2.gz HFHRQUQYNOQXIA-CTNGQTDRSA-N 1 1 482.695 2.502 20 0 JFADMO CCN(c1nnc(CC(C)(C)C)n1Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295220308 1063038406 /nfs/dbraw/zinc/03/84/06/1063038406.db2.gz WTGVOKJICDOJHL-QFIPXVFZSA-N 1 1 489.686 2.761 20 0 JFADMO C[C@@H]1CCCC[C@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291085337 1063041083 /nfs/dbraw/zinc/04/10/83/1063041083.db2.gz AKPBVAQISYLFSL-NHCUHLMSSA-N 1 1 476.666 2.656 20 0 JFADMO C[C@@H]1CCCC[C@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291085337 1063041104 /nfs/dbraw/zinc/04/11/04/1063041104.db2.gz AKPBVAQISYLFSL-NHCUHLMSSA-N 1 1 476.666 2.656 20 0 JFADMO CCC[C@H]1CN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC[N@@H+]1CCOC ZINC001295222927 1063042876 /nfs/dbraw/zinc/04/28/76/1063042876.db2.gz GQYALQIBZPRAAZ-KRWDZBQOSA-N 1 1 459.591 2.603 20 0 JFADMO CCC[C@H]1CN(C(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CCC)CC[N@H+]1CCOC ZINC001295222927 1063042899 /nfs/dbraw/zinc/04/28/99/1063042899.db2.gz GQYALQIBZPRAAZ-KRWDZBQOSA-N 1 1 459.591 2.603 20 0 JFADMO CCC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC[N@H+]1CCOC ZINC001295222777 1063042982 /nfs/dbraw/zinc/04/29/82/1063042982.db2.gz CTPLHGXPTHNVAR-WOJBJXKFSA-N 1 1 454.409 2.976 20 0 JFADMO CCC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC[N@H+]1CCOC ZINC001295223114 1063043804 /nfs/dbraw/zinc/04/38/04/1063043804.db2.gz KURJYZUFRNHUKW-JOCHJYFZSA-N 1 1 459.612 2.738 20 0 JFADMO CCN(c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226247 1063045913 /nfs/dbraw/zinc/04/59/13/1063045913.db2.gz UCWVQLGFOFQCQL-SIKLNZKXSA-N 1 1 459.660 2.923 20 0 JFADMO COCC[N@@H+](C)CCCC1CCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001295227931 1063049489 /nfs/dbraw/zinc/04/94/89/1063049489.db2.gz RCPXFYZVJNNMKX-OAQYLSRUSA-N 1 1 455.640 3.000 20 0 JFADMO CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001287725622 1063051193 /nfs/dbraw/zinc/05/11/93/1063051193.db2.gz WWFRVWUIBVGIND-HXUWFJFHSA-N 1 1 480.654 2.790 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295229533 1063052007 /nfs/dbraw/zinc/05/20/07/1063052007.db2.gz YRMWXCGYBSDZIC-FCHUYYIVSA-N 1 1 474.675 2.645 20 0 JFADMO CCN(c1nnc(Cc2csc(C)n2)n1CCCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295234967 1063053652 /nfs/dbraw/zinc/05/36/52/1063053652.db2.gz IYMMWKHLNJKXKL-LJQANCHMSA-N 1 1 477.660 2.633 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)C1 ZINC001291096469 1063057437 /nfs/dbraw/zinc/05/74/37/1063057437.db2.gz FDJTUKQDFBLROJ-QHAWAJNXSA-N 1 1 451.681 2.988 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291096760 1063058404 /nfs/dbraw/zinc/05/84/04/1063058404.db2.gz KFJFWAHZKWENPR-FQEVSTJZSA-N 1 1 489.690 2.855 20 0 JFADMO CCN(c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295240039 1063059564 /nfs/dbraw/zinc/05/95/64/1063059564.db2.gz LCMYUFCSXZXKJN-RBBKRZOGSA-N 1 1 459.660 2.951 20 0 JFADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)CC1 ZINC001295240734 1063060816 /nfs/dbraw/zinc/06/08/16/1063060816.db2.gz IXEQQNZRMKKDMR-IBGZPJMESA-N 1 1 454.600 2.562 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291098300 1063061698 /nfs/dbraw/zinc/06/16/98/1063061698.db2.gz LKNNWXXGWRKQCI-FQEVSTJZSA-N 1 1 476.666 2.890 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001291098639 1063063179 /nfs/dbraw/zinc/06/31/79/1063063179.db2.gz RKJQSQCFJCGQTH-SFTDATJTSA-N 1 1 474.675 2.975 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)C1 ZINC001287739906 1063063581 /nfs/dbraw/zinc/06/35/81/1063063581.db2.gz SZUFHTVTNYNDIF-CCLJQVCVSA-N 1 1 486.686 2.971 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291099203 1063064877 /nfs/dbraw/zinc/06/48/77/1063064877.db2.gz CZGLAJPJGOSDOH-UYAOXDASSA-N 1 1 489.665 2.987 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001291099257 1063065650 /nfs/dbraw/zinc/06/56/50/1063065650.db2.gz DOCJJWITODDUOK-YPAWHYETSA-N 1 1 496.722 2.892 20 0 JFADMO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(I)c3O)CC2)CC1 ZINC001295248270 1063065437 /nfs/dbraw/zinc/06/54/37/1063065437.db2.gz BZJOZQNLTWKWMR-UHFFFAOYSA-N 1 1 457.356 2.627 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740482 1063065835 /nfs/dbraw/zinc/06/58/35/1063065835.db2.gz WBIXTIWHATVDPZ-MOPGFXCFSA-N 1 1 492.665 2.958 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001291100290 1063068177 /nfs/dbraw/zinc/06/81/77/1063068177.db2.gz XIXNNLFNAIRCMS-AABGKKOBSA-N 1 1 462.664 2.786 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001291100740 1063069295 /nfs/dbraw/zinc/06/92/95/1063069295.db2.gz HCIOXHYASLGGCB-FQEVSTJZSA-N 1 1 470.666 2.884 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291101753 1063073932 /nfs/dbraw/zinc/07/39/32/1063073932.db2.gz APPAYPDMBCJGOI-WOJBJXKFSA-N 1 1 496.722 2.796 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101859 1063074343 /nfs/dbraw/zinc/07/43/43/1063074343.db2.gz CSIDZXWIJXZFJZ-FGZHOGPDSA-N 1 1 489.709 2.677 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291102149 1063075079 /nfs/dbraw/zinc/07/50/79/1063075079.db2.gz IDLBIXFPOUQRKU-OAGGEKHMSA-N 1 1 458.529 2.507 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102297 1063075824 /nfs/dbraw/zinc/07/58/24/1063075824.db2.gz KSSJIWNBCAMXEB-IKGGRYGDSA-N 1 1 476.638 2.880 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102179 1063076109 /nfs/dbraw/zinc/07/61/09/1063076109.db2.gz IOZUOPSVQKZQOX-RTBURBONSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291102637 1063078298 /nfs/dbraw/zinc/07/82/98/1063078298.db2.gz QFOOQKRYXLMICJ-SFHVURJKSA-N 1 1 462.602 2.981 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001291102897 1063078957 /nfs/dbraw/zinc/07/89/57/1063078957.db2.gz VFPAZWWTYSVODB-UNMCSNQZSA-N 1 1 468.646 2.781 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295263384 1063079128 /nfs/dbraw/zinc/07/91/28/1063079128.db2.gz WYUJHXFYQCLCJB-IYWMVGAKSA-N 1 1 467.680 2.900 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001291103822 1063081620 /nfs/dbraw/zinc/08/16/20/1063081620.db2.gz LDKUSJUPMULLBO-LEWJYISDSA-N 1 1 476.666 2.541 20 0 JFADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291103948 1063082012 /nfs/dbraw/zinc/08/20/12/1063082012.db2.gz MSHUWHUFBUDUAC-HSALFYBXSA-N 1 1 489.665 2.738 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291103990 1063082817 /nfs/dbraw/zinc/08/28/17/1063082817.db2.gz NGKIZBBCLNOLOT-KRWDZBQOSA-N 1 1 460.573 2.936 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291104282 1063083693 /nfs/dbraw/zinc/08/36/93/1063083693.db2.gz RUQJUCWYJJUMJL-VQTJNVASSA-N 1 1 469.634 2.569 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001291104196 1063083734 /nfs/dbraw/zinc/08/37/34/1063083734.db2.gz QPPUAKCIZWPODV-CTNGQTDRSA-N 1 1 480.723 2.849 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291104344 1063083827 /nfs/dbraw/zinc/08/38/27/1063083827.db2.gz SKUKYGOUHOHFHB-HKBOAZHASA-N 1 1 496.660 2.787 20 0 JFADMO CC(C)C[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCS(C)(=O)=O)CC1 ZINC001287759729 1063086195 /nfs/dbraw/zinc/08/61/95/1063086195.db2.gz FGVNSMLQSYUVJQ-UHFFFAOYSA-N 1 1 472.615 2.813 20 0 JFADMO CCN(C1CCN(c2nnc(C)n2C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1)S(C)(=O)=O ZINC001295267477 1063086819 /nfs/dbraw/zinc/08/68/19/1063086819.db2.gz VBBOHJXQYDLTFQ-NQIIRXRSSA-N 1 1 480.704 2.981 20 0 JFADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105357 1063086803 /nfs/dbraw/zinc/08/68/03/1063086803.db2.gz IBEJNAOROMYOJE-NHCUHLMSSA-N 1 1 472.682 2.594 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC001287761370 1063087224 /nfs/dbraw/zinc/08/72/24/1063087224.db2.gz YGKUKCZGMHNTMA-UHFFFAOYSA-N 1 1 465.577 2.916 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1)S(C)(=O)=O ZINC001295267543 1063087885 /nfs/dbraw/zinc/08/78/85/1063087885.db2.gz WVBBVDSVYJCQSA-INIZCTEOSA-N 1 1 496.081 2.727 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105504 1063088016 /nfs/dbraw/zinc/08/80/16/1063088016.db2.gz JYJHFOMVXHXERG-CEXWTWQISA-N 1 1 460.648 2.571 20 0 JFADMO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105983 1063090060 /nfs/dbraw/zinc/09/00/60/1063090060.db2.gz QHWJPNAIHFTEKZ-UXHICEINSA-N 1 1 474.675 2.831 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccccc3C)n2CCn2cc[nH+]c2C)CC1)S(C)(=O)=O ZINC001295269534 1063092003 /nfs/dbraw/zinc/09/20/03/1063092003.db2.gz JXPLQESQVPNIKR-UHFFFAOYSA-N 1 1 471.631 2.709 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106125 1063092410 /nfs/dbraw/zinc/09/24/10/1063092410.db2.gz RXTLMEZOUMNVTG-URVUXULASA-N 1 1 453.635 2.922 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295269653 1063093029 /nfs/dbraw/zinc/09/30/29/1063093029.db2.gz MOUZGJCAXYEXMC-VQTJNVASSA-N 1 1 491.706 2.654 20 0 JFADMO CC(C)CN1CCN(c2nnc(C3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1=O ZINC001287768038 1063093482 /nfs/dbraw/zinc/09/34/82/1063093482.db2.gz JIKWBRXMCUEKHH-NRFANRHFSA-N 1 1 473.710 2.902 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291106685 1063094662 /nfs/dbraw/zinc/09/46/62/1063094662.db2.gz ZGZRAFKPTQWVJB-QHAWAJNXSA-N 1 1 496.722 2.938 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295270081 1063094964 /nfs/dbraw/zinc/09/49/64/1063094964.db2.gz UKEDATGCXFWRTE-OAQYLSRUSA-N 1 1 491.706 2.654 20 0 JFADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107503 1063096333 /nfs/dbraw/zinc/09/63/33/1063096333.db2.gz JVAHGJMTFYPMPE-LMMKCTJWSA-N 1 1 486.583 2.797 20 0 JFADMO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107548 1063096379 /nfs/dbraw/zinc/09/63/79/1063096379.db2.gz KELRCQSLSTXHBV-QZTZHPFYSA-N 1 1 458.582 2.818 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108319 1063099504 /nfs/dbraw/zinc/09/95/04/1063099504.db2.gz UMZPUAKCBRBXFK-GUDVDZBRSA-N 1 1 465.639 2.998 20 0 JFADMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291109431 1063104352 /nfs/dbraw/zinc/10/43/52/1063104352.db2.gz MAOOIVHYOXONIE-MTQWCTHYSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H](Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109640 1063105308 /nfs/dbraw/zinc/10/53/08/1063105308.db2.gz PEPWSIWOVWOBCY-MOPGFXCFSA-N 1 1 468.650 2.517 20 0 JFADMO C[C@H](Cn1c(N2CCN(c3ncccc3C(N)=O)CC2)nnc1C(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC001291109642 1063105395 /nfs/dbraw/zinc/10/53/95/1063105395.db2.gz PEPWSIWOVWOBCY-RBUKOAKNSA-N 1 1 468.650 2.517 20 0 JFADMO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291112817 1063116190 /nfs/dbraw/zinc/11/61/90/1063116190.db2.gz RFRDMCWVVIABOU-XLGIIRLISA-N 1 1 490.693 2.888 20 0 JFADMO C[C@@H]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291119810 1063128681 /nfs/dbraw/zinc/12/86/81/1063128681.db2.gz QDRVLUMLSFKMCV-NJYVYQBISA-N 1 1 492.665 2.670 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291123165 1063136335 /nfs/dbraw/zinc/13/63/35/1063136335.db2.gz FVVUKMPVOOFEKI-LJQANCHMSA-N 1 1 490.052 2.801 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123749 1063140553 /nfs/dbraw/zinc/14/05/53/1063140553.db2.gz QCHJXAXGTBSABO-AQNXPRMDSA-N 1 1 484.711 2.652 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295293089 1063144080 /nfs/dbraw/zinc/14/40/80/1063144080.db2.gz FUIFPRVWANCNGE-WIOPSUGQSA-N 1 1 450.587 2.583 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291124709 1063144570 /nfs/dbraw/zinc/14/45/70/1063144570.db2.gz IPOWCQIFSQKFMP-OAQYLSRUSA-N 1 1 468.650 2.942 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)C1 ZINC001291124762 1063144707 /nfs/dbraw/zinc/14/47/07/1063144707.db2.gz JQCDQZICWRAYSZ-AABGKKOBSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)C1 ZINC001291124765 1063145653 /nfs/dbraw/zinc/14/56/53/1063145653.db2.gz JQCDQZICWRAYSZ-VAMGGRTRSA-N 1 1 467.680 2.696 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(n3cc(Cl)cn3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126222 1063153402 /nfs/dbraw/zinc/15/34/02/1063153402.db2.gz IKMPAHPNKQUFHZ-KRWDZBQOSA-N 1 1 463.030 2.840 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126428 1063155499 /nfs/dbraw/zinc/15/54/99/1063155499.db2.gz MHFPTZOGGLULRT-MOPGFXCFSA-N 1 1 490.674 2.749 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126517 1063155641 /nfs/dbraw/zinc/15/56/41/1063155641.db2.gz NIKVKDUXJACJDA-OAQYLSRUSA-N 1 1 487.693 2.767 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC(C(N)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127120 1063160290 /nfs/dbraw/zinc/16/02/90/1063160290.db2.gz ZAZDIDFXQCNUQO-MSOLQXFVSA-N 1 1 458.582 2.991 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291128134 1063163197 /nfs/dbraw/zinc/16/31/97/1063163197.db2.gz RRUOQFYZFLQCKB-MOPGFXCFSA-N 1 1 473.622 2.735 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128792 1063166485 /nfs/dbraw/zinc/16/64/85/1063166485.db2.gz CTDIKQYNYKUSMW-MSOLQXFVSA-N 1 1 451.612 2.609 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128877 1063166628 /nfs/dbraw/zinc/16/66/28/1063166628.db2.gz FGEUGLZWRCKWRF-KURKYZTESA-N 1 1 453.678 2.920 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001291129325 1063169781 /nfs/dbraw/zinc/16/97/81/1063169781.db2.gz MIOMWJDUJISEFM-QZTJIDSGSA-N 1 1 461.010 2.909 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CCCCCO)C1 ZINC001291129441 1063170961 /nfs/dbraw/zinc/17/09/61/1063170961.db2.gz OECZMIHRLAIZAH-NHCUHLMSSA-N 1 1 494.681 2.917 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccccc3F)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291129740 1063173408 /nfs/dbraw/zinc/17/34/08/1063173408.db2.gz UGXDOFDRNOWLMN-IBGZPJMESA-N 1 1 492.665 2.506 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129856 1063174588 /nfs/dbraw/zinc/17/45/88/1063174588.db2.gz WMITZUCDDUBZCN-QRVBRYPASA-N 1 1 481.638 2.986 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001291129936 1063174681 /nfs/dbraw/zinc/17/46/81/1063174681.db2.gz XJVXEYWYXZLMCI-VQTJNVASSA-N 1 1 462.639 2.961 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001291130020 1063175677 /nfs/dbraw/zinc/17/56/77/1063175677.db2.gz YSOCZRLCTXSFPP-FQEVSTJZSA-N 1 1 453.635 2.691 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001295313706 1063184395 /nfs/dbraw/zinc/18/43/95/1063184395.db2.gz MQXHNYPTBLVRCJ-REWPJTCUSA-N 1 1 484.645 2.759 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291135905 1063189758 /nfs/dbraw/zinc/18/97/58/1063189758.db2.gz MEIPONAGFMPTTO-GJZGRUSLSA-N 1 1 479.398 2.998 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@H+]1CCC[C@H]1C ZINC001291136218 1063190904 /nfs/dbraw/zinc/19/09/04/1063190904.db2.gz SQLVFFCDAJMACH-MSOLQXFVSA-N 1 1 471.631 2.689 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291137365 1063195730 /nfs/dbraw/zinc/19/57/30/1063195730.db2.gz PGPLIRWNHXVDBE-QZTJIDSGSA-N 1 1 458.611 2.609 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2cccnc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001295318415 1063196751 /nfs/dbraw/zinc/19/67/51/1063196751.db2.gz IONKZOKWLCRMGB-UHFFFAOYSA-N 1 1 496.704 2.984 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001291138003 1063200216 /nfs/dbraw/zinc/20/02/16/1063200216.db2.gz BFCYKAGXXPVKIH-RTBURBONSA-N 1 1 454.619 2.951 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CC2CCCC2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001295322530 1063205397 /nfs/dbraw/zinc/20/53/97/1063205397.db2.gz GRALWXHWDIDMHU-RUZDIDTESA-N 1 1 460.667 2.960 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140202 1063207223 /nfs/dbraw/zinc/20/72/23/1063207223.db2.gz SOTQXHPKYBBJEF-FGZHOGPDSA-N 1 1 470.662 2.622 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCc2nc(C)no2)CC1 ZINC001295326774 1063215442 /nfs/dbraw/zinc/21/54/42/1063215442.db2.gz AIBWSSZAQCDOGM-UHFFFAOYSA-N 1 1 484.605 2.551 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCc2nc(C)no2)CC1 ZINC001295326774 1063215466 /nfs/dbraw/zinc/21/54/66/1063215466.db2.gz AIBWSSZAQCDOGM-UHFFFAOYSA-N 1 1 484.605 2.551 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CC2)CC1 ZINC001295326866 1063218175 /nfs/dbraw/zinc/21/81/75/1063218175.db2.gz DZBVXJMEPMULJO-UHFFFAOYSA-N 1 1 479.000 2.643 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CC2)CC1 ZINC001295326866 1063218186 /nfs/dbraw/zinc/21/81/86/1063218186.db2.gz DZBVXJMEPMULJO-UHFFFAOYSA-N 1 1 479.000 2.643 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(C)(C)O)CC1 ZINC001295327027 1063220199 /nfs/dbraw/zinc/22/01/99/1063220199.db2.gz LGWYRDJLYDRVKM-UHFFFAOYSA-N 1 1 478.041 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(C)(C)O)CC1 ZINC001295327027 1063220216 /nfs/dbraw/zinc/22/02/16/1063220216.db2.gz LGWYRDJLYDRVKM-UHFFFAOYSA-N 1 1 478.041 2.535 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2OC)CC1 ZINC001295327325 1063222925 /nfs/dbraw/zinc/22/29/25/1063222925.db2.gz RUMHVPKTOOCYLF-UHFFFAOYSA-N 1 1 495.628 2.719 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OC)c2OC)CC1 ZINC001295327325 1063222944 /nfs/dbraw/zinc/22/29/44/1063222944.db2.gz RUMHVPKTOOCYLF-UHFFFAOYSA-N 1 1 495.628 2.719 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001295327516 1063224211 /nfs/dbraw/zinc/22/42/11/1063224211.db2.gz WACPCUBUCJHNIU-UHFFFAOYSA-N 1 1 499.689 2.687 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001295327516 1063224232 /nfs/dbraw/zinc/22/42/32/1063224232.db2.gz WACPCUBUCJHNIU-UHFFFAOYSA-N 1 1 499.689 2.687 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295327626 1063225798 /nfs/dbraw/zinc/22/57/98/1063225798.db2.gz ZGPWEKNGBSBCML-SFHVURJKSA-N 1 1 476.576 2.551 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295327626 1063225819 /nfs/dbraw/zinc/22/58/19/1063225819.db2.gz ZGPWEKNGBSBCML-SFHVURJKSA-N 1 1 476.576 2.551 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001295329033 1063228631 /nfs/dbraw/zinc/22/86/31/1063228631.db2.gz PSCXMVVBGZLUSS-UHFFFAOYSA-N 1 1 468.524 2.914 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001295329033 1063228652 /nfs/dbraw/zinc/22/86/52/1063228652.db2.gz PSCXMVVBGZLUSS-UHFFFAOYSA-N 1 1 468.524 2.914 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1(C)C ZINC001291146757 1063232264 /nfs/dbraw/zinc/23/22/64/1063232264.db2.gz KCGMLWQCHSATQP-LJQANCHMSA-N 1 1 455.607 2.910 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2CC(F)(F)Br)CC1 ZINC001295333930 1063232326 /nfs/dbraw/zinc/23/23/26/1063232326.db2.gz DQBUBSOJEWZUGD-UHFFFAOYSA-N 1 1 479.414 2.845 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2CC(F)(F)Br)CC1 ZINC001295333930 1063232340 /nfs/dbraw/zinc/23/23/40/1063232340.db2.gz DQBUBSOJEWZUGD-UHFFFAOYSA-N 1 1 479.414 2.845 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001295334329 1063237437 /nfs/dbraw/zinc/23/74/37/1063237437.db2.gz KNQNDWHHTRWOSX-UHFFFAOYSA-N 1 1 495.672 2.676 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001295334329 1063237458 /nfs/dbraw/zinc/23/74/58/1063237458.db2.gz KNQNDWHHTRWOSX-UHFFFAOYSA-N 1 1 495.672 2.676 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)SC)CC1 ZINC001295334839 1063244363 /nfs/dbraw/zinc/24/43/63/1063244363.db2.gz UNVGJOLZKQQFGZ-FQEVSTJZSA-N 1 1 498.701 2.649 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)SC)CC1 ZINC001295334839 1063244381 /nfs/dbraw/zinc/24/43/81/1063244381.db2.gz UNVGJOLZKQQFGZ-FQEVSTJZSA-N 1 1 498.701 2.649 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001295334888 1063245093 /nfs/dbraw/zinc/24/50/93/1063245093.db2.gz WACZFTBCNCDHEG-UHFFFAOYSA-N 1 1 489.709 2.648 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001295334888 1063245113 /nfs/dbraw/zinc/24/51/13/1063245113.db2.gz WACZFTBCNCDHEG-UHFFFAOYSA-N 1 1 489.709 2.648 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001295335049 1063247934 /nfs/dbraw/zinc/24/79/34/1063247934.db2.gz XIQYLFXWASFSPN-UHFFFAOYSA-N 1 1 495.672 2.724 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001295335049 1063247954 /nfs/dbraw/zinc/24/79/54/1063247954.db2.gz XIQYLFXWASFSPN-UHFFFAOYSA-N 1 1 495.672 2.724 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291164363 1063248650 /nfs/dbraw/zinc/24/86/50/1063248650.db2.gz TYKVJXUEIQIQOQ-YASKCIBGSA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295335090 1063249152 /nfs/dbraw/zinc/24/91/52/1063249152.db2.gz YLJAYGNKTUJWMZ-XMMPIXPASA-N 1 1 496.704 2.519 20 0 JFADMO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001291165183 1063249557 /nfs/dbraw/zinc/24/95/57/1063249557.db2.gz HEDFXIPZFZBOLM-HHJKRLRDSA-N 1 1 476.666 2.942 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295335104 1063249602 /nfs/dbraw/zinc/24/96/02/1063249602.db2.gz YYNCLPOFZGFMAT-PMACEKPBSA-N 1 1 482.620 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295335104 1063249616 /nfs/dbraw/zinc/24/96/16/1063249616.db2.gz YYNCLPOFZGFMAT-PMACEKPBSA-N 1 1 482.620 2.988 20 0 JFADMO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001291171749 1063260734 /nfs/dbraw/zinc/26/07/34/1063260734.db2.gz QFUCIVYNLJJVTM-RZUBCFFCSA-N 1 1 453.635 2.689 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295345221 1063281880 /nfs/dbraw/zinc/28/18/80/1063281880.db2.gz XGNCCMKMTGXLML-XMMPIXPASA-N 1 1 499.679 2.873 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001295345395 1063283557 /nfs/dbraw/zinc/28/35/57/1063283557.db2.gz CPDXNHYXJVPONC-OAQYLSRUSA-N 1 1 469.634 2.558 20 0 JFADMO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291187045 1063294008 /nfs/dbraw/zinc/29/40/08/1063294008.db2.gz OIYGZIADAUSIQK-HZPDHXFCSA-N 1 1 495.550 2.971 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001295350562 1063295660 /nfs/dbraw/zinc/29/56/60/1063295660.db2.gz FFVBHFIEVHBPAB-JOCHJYFZSA-N 1 1 475.682 2.756 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001295354421 1063307003 /nfs/dbraw/zinc/30/70/03/1063307003.db2.gz NBRIQEAYEAPDBU-UHFFFAOYSA-N 1 1 479.633 2.833 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291189387 1063309159 /nfs/dbraw/zinc/30/91/59/1063309159.db2.gz AEVXXLCCFTZCKP-AWEZNQCLSA-N 1 1 497.463 2.547 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291189387 1063309177 /nfs/dbraw/zinc/30/91/77/1063309177.db2.gz AEVXXLCCFTZCKP-AWEZNQCLSA-N 1 1 497.463 2.547 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295355644 1063309873 /nfs/dbraw/zinc/30/98/73/1063309873.db2.gz OZRPFEBLYOTRFZ-VXKWHMMOSA-N 1 1 482.677 2.968 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291197239 1063341854 /nfs/dbraw/zinc/34/18/54/1063341854.db2.gz ADSDTOMCYYXBRU-OALUTQOASA-N 1 1 496.616 2.537 20 0 JFADMO CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001295376954 1063346287 /nfs/dbraw/zinc/34/62/87/1063346287.db2.gz QWMHLXPKLLURCK-LADGPHEKSA-N 1 1 475.726 2.897 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(Br)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001291200902 1063356687 /nfs/dbraw/zinc/35/66/87/1063356687.db2.gz MISMGVPZHNRXNN-RDJZCZTQSA-N 1 1 463.424 2.938 20 0 JFADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383650 1063357171 /nfs/dbraw/zinc/35/71/71/1063357171.db2.gz DKPFCINQCXERAQ-OAHLLOKOSA-N 1 1 459.182 2.590 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001291201826 1063357982 /nfs/dbraw/zinc/35/79/82/1063357982.db2.gz BPNKRQXAGIRQDX-LJQANCHMSA-N 1 1 474.675 2.865 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201875 1063358521 /nfs/dbraw/zinc/35/85/21/1063358521.db2.gz CWVXGZIPNBKQRJ-ZACQAIPSSA-N 1 1 474.572 2.674 20 0 JFADMO COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2)c(OC)c1 ZINC001295384671 1063359707 /nfs/dbraw/zinc/35/97/07/1063359707.db2.gz LWOVOTBXJYEQKL-QFIPXVFZSA-N 1 1 452.555 2.826 20 0 JFADMO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291206480 1063369558 /nfs/dbraw/zinc/36/95/58/1063369558.db2.gz XALISGXRSNBXAQ-ROUUACIJSA-N 1 1 454.685 2.881 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001291207353 1063374396 /nfs/dbraw/zinc/37/43/96/1063374396.db2.gz JSRDZOODCSXJHP-ZWKOTPCHSA-N 1 1 470.684 2.547 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(F)(F)F ZINC001291207696 1063376073 /nfs/dbraw/zinc/37/60/73/1063376073.db2.gz NTWDYPZWYMUZRL-CABCVRRESA-N 1 1 466.574 2.541 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCOc1ccccc1 ZINC001291208306 1063378607 /nfs/dbraw/zinc/37/86/07/1063378607.db2.gz VVOQBOQPVKUZKA-PMACEKPBSA-N 1 1 490.674 2.668 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291208597 1063380767 /nfs/dbraw/zinc/38/07/67/1063380767.db2.gz ZMWXKBAGOMXOQG-JTJHWIPRSA-N 1 1 482.695 2.547 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1)c1ccsc1 ZINC001295403214 1063388074 /nfs/dbraw/zinc/38/80/74/1063388074.db2.gz VUDGWXOMEBIVSB-IBGZPJMESA-N 1 1 460.629 2.720 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291210676 1063389420 /nfs/dbraw/zinc/38/94/20/1063389420.db2.gz HFOZBJHZAOWGOI-IYBDPMFKSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291210676 1063389443 /nfs/dbraw/zinc/38/94/43/1063389443.db2.gz HFOZBJHZAOWGOI-IYBDPMFKSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291210675 1063389485 /nfs/dbraw/zinc/38/94/85/1063389485.db2.gz HFOZBJHZAOWGOI-HZPDHXFCSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291210675 1063389503 /nfs/dbraw/zinc/38/95/03/1063389503.db2.gz HFOZBJHZAOWGOI-HZPDHXFCSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210825 1063390325 /nfs/dbraw/zinc/39/03/25/1063390325.db2.gz JJFRTWFPXLUEIH-DOTOQJQBSA-N 1 1 483.480 2.835 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291210901 1063391018 /nfs/dbraw/zinc/39/10/18/1063391018.db2.gz KMKRKLRIUHXYTA-RISCZKNCSA-N 1 1 463.302 2.755 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211725 1063396373 /nfs/dbraw/zinc/39/63/73/1063396373.db2.gz ZUZQNRCLBIEQMD-CRAIPNDOSA-N 1 1 492.466 2.833 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291212047 1063398516 /nfs/dbraw/zinc/39/85/16/1063398516.db2.gz HCHKTZOFNPFHPZ-HUUCEWRRSA-N 1 1 467.412 2.760 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291212047 1063398532 /nfs/dbraw/zinc/39/85/32/1063398532.db2.gz HCHKTZOFNPFHPZ-HUUCEWRRSA-N 1 1 467.412 2.760 20 0 JFADMO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC001295414555 1063418011 /nfs/dbraw/zinc/41/80/11/1063418011.db2.gz ZSMCFZVOHOYJBX-HXUWFJFHSA-N 1 1 464.618 2.787 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291221190 1063451182 /nfs/dbraw/zinc/45/11/82/1063451182.db2.gz QWUAYDRXCNYZEY-OXJNMPFZSA-N 1 1 479.000 2.763 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229788 1063482361 /nfs/dbraw/zinc/48/23/61/1063482361.db2.gz OFOIDIPLYNREMO-WMZOPIPTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229788 1063482367 /nfs/dbraw/zinc/48/23/67/1063482367.db2.gz OFOIDIPLYNREMO-WMZOPIPTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229788 1063482375 /nfs/dbraw/zinc/48/23/75/1063482375.db2.gz OFOIDIPLYNREMO-WMZOPIPTSA-N 1 1 467.540 2.522 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCSCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291230311 1063483981 /nfs/dbraw/zinc/48/39/81/1063483981.db2.gz YVLTVQGHSWHWHZ-DOTOQJQBSA-N 1 1 456.538 2.793 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSCC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291230312 1063484045 /nfs/dbraw/zinc/48/40/45/1063484045.db2.gz YVLTVQGHSWHWHZ-NVXWUHKLSA-N 1 1 456.538 2.793 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230754 1063484860 /nfs/dbraw/zinc/48/48/60/1063484860.db2.gz IHQVSUBUEACIEZ-IBGZPJMESA-N 1 1 455.607 2.991 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001291232353 1063490122 /nfs/dbraw/zinc/49/01/22/1063490122.db2.gz LQYGGBMMYJYPGN-IBGZPJMESA-N 1 1 473.622 2.802 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291252360 1063533806 /nfs/dbraw/zinc/53/38/06/1063533806.db2.gz SCGRFFBMBUNWKY-MOPGFXCFSA-N 1 1 462.639 2.960 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291252361 1063533907 /nfs/dbraw/zinc/53/39/07/1063533907.db2.gz SCGRFFBMBUNWKY-OALUTQOASA-N 1 1 462.639 2.960 20 0 JFADMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)[C@@H]1CCC[C@H]1O ZINC001295505128 1063540826 /nfs/dbraw/zinc/54/08/26/1063540826.db2.gz JJFJDOQAPVWVMG-IEBWSBKVSA-N 1 1 453.948 2.630 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255530 1063544288 /nfs/dbraw/zinc/54/42/88/1063544288.db2.gz JKQODOOABUYMBR-HKBOAZHASA-N 1 1 492.665 2.932 20 0 JFADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC001291256114 1063547105 /nfs/dbraw/zinc/54/71/05/1063547105.db2.gz PYHACCJXDQLOQX-LEWJYISDSA-N 1 1 463.667 2.998 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258753 1063551426 /nfs/dbraw/zinc/55/14/26/1063551426.db2.gz HEBURDGTOCLBAF-HXUWFJFHSA-N 1 1 462.683 2.667 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258753 1063551439 /nfs/dbraw/zinc/55/14/39/1063551439.db2.gz HEBURDGTOCLBAF-HXUWFJFHSA-N 1 1 462.683 2.667 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258753 1063551469 /nfs/dbraw/zinc/55/14/69/1063551469.db2.gz HEBURDGTOCLBAF-HXUWFJFHSA-N 1 1 462.683 2.667 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291261383 1063556741 /nfs/dbraw/zinc/55/67/41/1063556741.db2.gz AKGAYVWEQSWQLU-REWPJTCUSA-N 1 1 458.626 2.895 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291262011 1063558235 /nfs/dbraw/zinc/55/82/35/1063558235.db2.gz LLXIEXHUVYGVLI-APWZRJJASA-N 1 1 453.509 2.794 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291262945 1063560865 /nfs/dbraw/zinc/56/08/65/1063560865.db2.gz CCRYGNBOYKXEPO-PZJWPPBQSA-N 1 1 499.660 2.724 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291265141 1063565672 /nfs/dbraw/zinc/56/56/72/1063565672.db2.gz OXCBSEDQJABUQF-UYAOXDASSA-N 1 1 457.623 2.954 20 0 JFADMO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CC[C@@H](Cn3cnc4c3ncnc4N)O2)CC1)CC(C)C ZINC001295544859 1063579839 /nfs/dbraw/zinc/57/98/39/1063579839.db2.gz KFSRFWVJKOBTPT-VQTJNVASSA-N 1 1 457.623 2.563 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC001291275018 1063581914 /nfs/dbraw/zinc/58/19/14/1063581914.db2.gz LHAHVEPEFVJZNN-NRFANRHFSA-N 1 1 456.635 2.541 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275018 1063581929 /nfs/dbraw/zinc/58/19/29/1063581929.db2.gz LHAHVEPEFVJZNN-NRFANRHFSA-N 1 1 456.635 2.541 20 0 JFADMO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001291275018 1063581941 /nfs/dbraw/zinc/58/19/41/1063581941.db2.gz LHAHVEPEFVJZNN-NRFANRHFSA-N 1 1 456.635 2.541 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCc2cccs2)CC1 ZINC001295551251 1063584220 /nfs/dbraw/zinc/58/42/20/1063584220.db2.gz RIZRYGGKWYSSFW-HXUWFJFHSA-N 1 1 473.691 2.671 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001295577335 1063615493 /nfs/dbraw/zinc/61/54/93/1063615493.db2.gz YLFSGZOIFZJKGC-QGZVFWFLSA-N 1 1 457.529 2.887 20 0 JFADMO C[C@@H]1C[N@H+](Cc2cccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(F)(F)F)c2)CCO1 ZINC001291286121 1063629953 /nfs/dbraw/zinc/62/99/53/1063629953.db2.gz CRAIVLPIDBZXKG-QGZVFWFLSA-N 1 1 480.535 2.782 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2cccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(F)(F)F)c2)CCO1 ZINC001291286121 1063629965 /nfs/dbraw/zinc/62/99/65/1063629965.db2.gz CRAIVLPIDBZXKG-QGZVFWFLSA-N 1 1 480.535 2.782 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295585599 1063632343 /nfs/dbraw/zinc/63/23/43/1063632343.db2.gz WQOYLHGCCINTSL-SANMLTNESA-N 1 1 468.646 2.806 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286725 1063633729 /nfs/dbraw/zinc/63/37/29/1063633729.db2.gz OAFITCHDEQIRLZ-NRFANRHFSA-N 1 1 491.640 2.818 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286725 1063633732 /nfs/dbraw/zinc/63/37/32/1063633732.db2.gz OAFITCHDEQIRLZ-NRFANRHFSA-N 1 1 491.640 2.818 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287601 1063640585 /nfs/dbraw/zinc/64/05/85/1063640585.db2.gz FJUOICSKIRWKPX-GBESFXJTSA-N 1 1 480.617 2.535 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595977 1063640876 /nfs/dbraw/zinc/64/08/76/1063640876.db2.gz XMOCJAFGTZSXCJ-JOCHJYFZSA-N 1 1 482.608 2.787 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291288957 1063653211 /nfs/dbraw/zinc/65/32/11/1063653211.db2.gz BGFYJOVJZGQZMX-BHIFYINESA-N 1 1 483.661 2.828 20 0 JFADMO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1CC ZINC001295608680 1063658799 /nfs/dbraw/zinc/65/87/99/1063658799.db2.gz XYQOQLIALWIUBP-PKOBYXMFSA-N 1 1 492.646 2.518 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@H](C)O1 ZINC001291289718 1063659011 /nfs/dbraw/zinc/65/90/11/1063659011.db2.gz OSFCYCSCVKUFDR-WSTZPKSXSA-N 1 1 494.562 2.949 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291290341 1063663745 /nfs/dbraw/zinc/66/37/45/1063663745.db2.gz YPASRWRIPJDTOV-MSOLQXFVSA-N 1 1 461.010 2.766 20 0 JFADMO CCN(Cc1ccccc1C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295623876 1063668304 /nfs/dbraw/zinc/66/83/04/1063668304.db2.gz CTVXISVEGBMWFB-DEOSSOPVSA-N 1 1 468.627 2.671 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291787 1063671882 /nfs/dbraw/zinc/67/18/82/1063671882.db2.gz UYFRDQOPGVFOJF-CTNGQTDRSA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291291875 1063672399 /nfs/dbraw/zinc/67/23/99/1063672399.db2.gz VTIQOVYLQAQMSM-CALCHBBNSA-N 1 1 486.583 2.940 20 0 JFADMO C[C@@H]1C[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 ZINC001291292241 1063674984 /nfs/dbraw/zinc/67/49/84/1063674984.db2.gz BCDBSCZEXGOGBT-QZTJIDSGSA-N 1 1 466.051 2.590 20 0 JFADMO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291293112 1063681995 /nfs/dbraw/zinc/68/19/95/1063681995.db2.gz PEEIEYMNSZLZQG-WOJBJXKFSA-N 1 1 495.594 2.838 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291293181 1063682693 /nfs/dbraw/zinc/68/26/93/1063682693.db2.gz QIWRICFXRSTGQB-HDICACEKSA-N 1 1 491.036 2.712 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCO1 ZINC001291293209 1063683796 /nfs/dbraw/zinc/68/37/96/1063683796.db2.gz QRMWTOZOGYPBKC-PKOBYXMFSA-N 1 1 468.524 2.532 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)CCCO1 ZINC001291293852 1063686105 /nfs/dbraw/zinc/68/61/05/1063686105.db2.gz AMJLIRBLUYWFQA-INIZCTEOSA-N 1 1 454.570 2.570 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291293785 1063686220 /nfs/dbraw/zinc/68/62/20/1063686220.db2.gz ZLYVKSZXIFAXJX-VXKWHMMOSA-N 1 1 468.646 2.621 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294019 1063686664 /nfs/dbraw/zinc/68/66/64/1063686664.db2.gz CYICPONJVSVACI-DOTOQJQBSA-N 1 1 482.398 2.919 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293925 1063686737 /nfs/dbraw/zinc/68/67/37/1063686737.db2.gz BUZMCCMWNCMSKZ-SJLPKXTDSA-N 1 1 483.585 2.693 20 0 JFADMO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295646151 1063687693 /nfs/dbraw/zinc/68/76/93/1063687693.db2.gz BPYKPTYOZQMEGG-KDURUIRLSA-N 1 1 460.648 2.988 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291294028 1063687917 /nfs/dbraw/zinc/68/79/17/1063687917.db2.gz CZUUMVQFKMPFEA-SOLBZPMBSA-N 1 1 473.540 2.977 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294766 1063691423 /nfs/dbraw/zinc/69/14/23/1063691423.db2.gz PEJPPPNSPCFCIT-UONOGXRCSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295080 1063693145 /nfs/dbraw/zinc/69/31/45/1063693145.db2.gz ULPXQASAWPHIHL-CABCVRRESA-N 1 1 485.486 2.515 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001291295376 1063695060 /nfs/dbraw/zinc/69/50/60/1063695060.db2.gz YHVBLRKNQOSPBO-FGTMMUONSA-N 1 1 484.605 2.512 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295454 1063695767 /nfs/dbraw/zinc/69/57/67/1063695767.db2.gz ZHPYQDWSFFNVKW-ICSRJNTNSA-N 1 1 490.674 2.683 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295533 1063696381 /nfs/dbraw/zinc/69/63/81/1063696381.db2.gz AFIALFQXMVDAOV-AZUAARDMSA-N 1 1 455.607 2.804 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295535 1063696436 /nfs/dbraw/zinc/69/64/36/1063696436.db2.gz AFIALFQXMVDAOV-QUCCMNQESA-N 1 1 455.607 2.804 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1CC[N@@H+]1CCOCC1(C)C ZINC001295653855 1063697968 /nfs/dbraw/zinc/69/79/68/1063697968.db2.gz RYWPJPPXHODBCU-UHFFFAOYSA-N 1 1 483.617 2.833 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1CC[N@H+]1CCOCC1(C)C ZINC001295653855 1063697976 /nfs/dbraw/zinc/69/79/76/1063697976.db2.gz RYWPJPPXHODBCU-UHFFFAOYSA-N 1 1 483.617 2.833 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCCN(C)CC(F)(F)F ZINC001291297391 1063699311 /nfs/dbraw/zinc/69/93/11/1063699311.db2.gz YTVWNKAFFAAQSK-MJGOQNOKSA-N 1 1 451.541 2.821 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccccn2)n1CCCN(C)CC(F)(F)F ZINC001291297392 1063699348 /nfs/dbraw/zinc/69/93/48/1063699348.db2.gz YTVWNKAFFAAQSK-PKOBYXMFSA-N 1 1 451.541 2.821 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001295659539 1063701168 /nfs/dbraw/zinc/70/11/68/1063701168.db2.gz FDQVAWHGAVLDSF-GHTZIAJQSA-N 1 1 450.591 2.510 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001295659543 1063701250 /nfs/dbraw/zinc/70/12/50/1063701250.db2.gz FDQVAWHGAVLDSF-RXVVDRJESA-N 1 1 450.591 2.510 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(F)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295662026 1063703698 /nfs/dbraw/zinc/70/36/98/1063703698.db2.gz LBVCVUZZQAULLZ-UHFFFAOYSA-N 1 1 468.625 2.794 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295662026 1063703712 /nfs/dbraw/zinc/70/37/12/1063703712.db2.gz LBVCVUZZQAULLZ-UHFFFAOYSA-N 1 1 468.625 2.794 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295662026 1063703721 /nfs/dbraw/zinc/70/37/21/1063703721.db2.gz LBVCVUZZQAULLZ-UHFFFAOYSA-N 1 1 468.625 2.794 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001291301489 1063709699 /nfs/dbraw/zinc/70/96/99/1063709699.db2.gz DMKXYJUOWQLHCP-FXAWDEMLSA-N 1 1 461.632 2.694 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291301946 1063710622 /nfs/dbraw/zinc/71/06/22/1063710622.db2.gz NESDNGCAEMQVFX-GJZGRUSLSA-N 1 1 470.437 2.841 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291301948 1063710721 /nfs/dbraw/zinc/71/07/21/1063710721.db2.gz NESDNGCAEMQVFX-LSDHHAIUSA-N 1 1 470.437 2.841 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291301947 1063710750 /nfs/dbraw/zinc/71/07/50/1063710750.db2.gz NESDNGCAEMQVFX-HUUCEWRRSA-N 1 1 470.437 2.841 20 0 JFADMO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@H]1C ZINC001295670893 1063711739 /nfs/dbraw/zinc/71/17/39/1063711739.db2.gz YESFKUGZZPYBIF-QZTJIDSGSA-N 1 1 473.647 2.880 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291307517 1063723772 /nfs/dbraw/zinc/72/37/72/1063723772.db2.gz VRTVYAKRDKUBRJ-INIZCTEOSA-N 1 1 493.450 2.779 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291307517 1063723786 /nfs/dbraw/zinc/72/37/86/1063723786.db2.gz VRTVYAKRDKUBRJ-INIZCTEOSA-N 1 1 493.450 2.779 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307730 1063725683 /nfs/dbraw/zinc/72/56/83/1063725683.db2.gz AGAHRLGDXVGBJD-RTBURBONSA-N 1 1 471.606 2.506 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291307730 1063725692 /nfs/dbraw/zinc/72/56/92/1063725692.db2.gz AGAHRLGDXVGBJD-RTBURBONSA-N 1 1 471.606 2.506 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291307646 1063725794 /nfs/dbraw/zinc/72/57/94/1063725794.db2.gz YHAPSMLUDZXIJJ-MRXNPFEDSA-N 1 1 461.517 2.637 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291307646 1063725807 /nfs/dbraw/zinc/72/58/07/1063725807.db2.gz YHAPSMLUDZXIJJ-MRXNPFEDSA-N 1 1 461.517 2.637 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308484 1063729563 /nfs/dbraw/zinc/72/95/63/1063729563.db2.gz NYOFFHALCAAODP-TZIWHRDSSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291308484 1063729577 /nfs/dbraw/zinc/72/95/77/1063729577.db2.gz NYOFFHALCAAODP-TZIWHRDSSA-N 1 1 485.633 2.897 20 0 JFADMO C[C@H]1N(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291316875 1063752496 /nfs/dbraw/zinc/75/24/96/1063752496.db2.gz CDPDMBIWUDNYGW-CTNGQTDRSA-N 1 1 454.619 2.892 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291323123 1063768829 /nfs/dbraw/zinc/76/88/29/1063768829.db2.gz GPGISABSJJKBRK-CJFMBICVSA-N 1 1 457.619 2.750 20 0 JFADMO CCN(C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C(C)C)C1)CC(F)(F)F ZINC001295763431 1063769429 /nfs/dbraw/zinc/76/94/29/1063769429.db2.gz NGOJROVNCAMZIO-KRWDZBQOSA-N 1 1 456.561 2.729 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291324804 1063772805 /nfs/dbraw/zinc/77/28/05/1063772805.db2.gz AMBSTVUTXRAUQA-KOSHJBKYSA-N 1 1 461.582 2.847 20 0 JFADMO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295780605 1063786104 /nfs/dbraw/zinc/78/61/04/1063786104.db2.gz CVABFMBRAWSEFZ-UHFFFAOYSA-N 1 1 461.680 2.573 20 0 JFADMO C[C@@H]1[C@H](C)SCCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291333676 1063789910 /nfs/dbraw/zinc/78/99/10/1063789910.db2.gz NSCWQFGUBHKDFN-SJORKVTESA-N 1 1 478.688 2.711 20 0 JFADMO C[C@@H]1[C@H](C)SCCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001291333676 1063789924 /nfs/dbraw/zinc/78/99/24/1063789924.db2.gz NSCWQFGUBHKDFN-SJORKVTESA-N 1 1 478.688 2.711 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001291336428 1063799953 /nfs/dbraw/zinc/79/99/53/1063799953.db2.gz ICDOEVSRRBJJHL-QGZVFWFLSA-N 1 1 476.423 2.793 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291337118 1063803182 /nfs/dbraw/zinc/80/31/82/1063803182.db2.gz UXMYBOCRIOKLCI-SWYRRKHMSA-N 1 1 490.693 2.934 20 0 JFADMO CCN(CCCn1c(CC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC001295814382 1063814770 /nfs/dbraw/zinc/81/47/70/1063814770.db2.gz MEAWYAIFOCIVGN-TZIWHRDSSA-N 1 1 466.696 2.601 20 0 JFADMO CCN(CCCn1c(CC(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC001295814381 1063814965 /nfs/dbraw/zinc/81/49/65/1063814965.db2.gz MEAWYAIFOCIVGN-PZJWPPBQSA-N 1 1 466.696 2.601 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001291340185 1063816505 /nfs/dbraw/zinc/81/65/05/1063816505.db2.gz DGKMVOPKFLXZJO-HSALFYBXSA-N 1 1 468.650 2.987 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1)C(C)C ZINC001295814986 1063816853 /nfs/dbraw/zinc/81/68/53/1063816853.db2.gz DPWBNFUUSDAZHW-JOCHJYFZSA-N 1 1 470.618 2.831 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)C1 ZINC001291341531 1063822385 /nfs/dbraw/zinc/82/23/85/1063822385.db2.gz FFHQJCOPAYACCZ-IBGZPJMESA-N 1 1 494.644 2.510 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)C(C)C ZINC001295819025 1063823534 /nfs/dbraw/zinc/82/35/34/1063823534.db2.gz FZPOKSNVQBCOIA-KRWDZBQOSA-N 1 1 466.627 2.629 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1)C(C)C ZINC001295819007 1063823650 /nfs/dbraw/zinc/82/36/50/1063823650.db2.gz FMMJUZZUEJWUCI-UGKGYDQZSA-N 1 1 452.669 2.945 20 0 JFADMO CC[N@@H+](CCn1c(C(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1)CCC(F)(F)F ZINC001295819508 1063824203 /nfs/dbraw/zinc/82/42/03/1063824203.db2.gz OQPPXBWPJPEJRD-UHFFFAOYSA-N 1 1 494.570 2.679 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295820570 1063825379 /nfs/dbraw/zinc/82/53/79/1063825379.db2.gz DGMZGGQMPFTXHC-UHFFFAOYSA-N 1 1 484.571 2.808 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001295820696 1063826088 /nfs/dbraw/zinc/82/60/88/1063826088.db2.gz GZMMXXCYXVUKNI-HXUWFJFHSA-N 1 1 492.632 2.551 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295820587 1063826183 /nfs/dbraw/zinc/82/61/83/1063826183.db2.gz DXIICPMQJBXKHT-PKOBYXMFSA-N 1 1 498.632 2.759 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001291343024 1063827932 /nfs/dbraw/zinc/82/79/32/1063827932.db2.gz FCTUDFUCXNUYIA-CEMLEFRQSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001295822405 1063829169 /nfs/dbraw/zinc/82/91/69/1063829169.db2.gz ZXVYMODQZAYYKS-UHFFFAOYSA-N 1 1 483.646 2.747 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C ZINC001295823646 1063830508 /nfs/dbraw/zinc/83/05/08/1063830508.db2.gz QMFRXVSSGNTCQR-LJQANCHMSA-N 1 1 490.450 2.994 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1)C(C)C ZINC001295823942 1063831125 /nfs/dbraw/zinc/83/11/25/1063831125.db2.gz XVVWINPBMDOLJF-QGZVFWFLSA-N 1 1 469.428 2.628 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001295824566 1063832760 /nfs/dbraw/zinc/83/27/60/1063832760.db2.gz GTMQJMQVIOHXBH-UHFFFAOYSA-N 1 1 486.411 2.566 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001291344457 1063833262 /nfs/dbraw/zinc/83/32/62/1063833262.db2.gz CVUFFQTWLZUFCA-VXKWHMMOSA-N 1 1 489.064 2.864 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344877 1063835106 /nfs/dbraw/zinc/83/51/06/1063835106.db2.gz MEQKSDFDVZSBNT-PKTZIBPZSA-N 1 1 498.672 2.729 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)C(C)C ZINC001295829263 1063840394 /nfs/dbraw/zinc/84/03/94/1063840394.db2.gz GJVISFUGMXXEEG-UHFFFAOYSA-N 1 1 490.052 2.799 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829332 1063840878 /nfs/dbraw/zinc/84/08/78/1063840878.db2.gz HOZYGTCGCAAIAY-HZPDHXFCSA-N 1 1 485.942 2.983 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829417 1063841583 /nfs/dbraw/zinc/84/15/83/1063841583.db2.gz IKIMHEAXVVMQDG-KRWDZBQOSA-N 1 1 488.942 2.824 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001291346108 1063843431 /nfs/dbraw/zinc/84/34/31/1063843431.db2.gz KBOPBKDWPWNUDB-FGZHOGPDSA-N 1 1 468.646 2.909 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001291346582 1063845515 /nfs/dbraw/zinc/84/55/15/1063845515.db2.gz VUQCYUOUYQPZSY-GOTSBHOMSA-N 1 1 498.672 2.937 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C(C)C ZINC001295831184 1063845875 /nfs/dbraw/zinc/84/58/75/1063845875.db2.gz VFWIBYKUMSIWQB-UHFFFAOYSA-N 1 1 499.685 2.989 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001291346702 1063846057 /nfs/dbraw/zinc/84/60/57/1063846057.db2.gz YDKOMPFTVKZOQI-NHCUHLMSSA-N 1 1 454.619 2.879 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295831483 1063846760 /nfs/dbraw/zinc/84/67/60/1063846760.db2.gz YATUOKNSHYLTMZ-AWEZNQCLSA-N 1 1 459.904 2.579 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001291347000 1063847432 /nfs/dbraw/zinc/84/74/32/1063847432.db2.gz DGQFYKDVPMMDBC-GGAORHGYSA-N 1 1 498.672 2.937 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295835282 1063851213 /nfs/dbraw/zinc/85/12/13/1063851213.db2.gz AMIJTUBMKXHQKE-NRFANRHFSA-N 1 1 468.524 2.930 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1)CCC(F)(F)F ZINC001295836783 1063853958 /nfs/dbraw/zinc/85/39/58/1063853958.db2.gz DYSIACVIIBBKFZ-UHFFFAOYSA-N 1 1 477.539 2.675 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295837194 1063854436 /nfs/dbraw/zinc/85/44/36/1063854436.db2.gz JCLOAWCKEBUUBA-QGZVFWFLSA-N 1 1 455.529 2.663 20 0 JFADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001291349753 1063856310 /nfs/dbraw/zinc/85/63/10/1063856310.db2.gz XCQYMPVUSLQNQD-JENIJYKNSA-N 1 1 452.669 2.778 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)C(C)C ZINC001295838530 1063856630 /nfs/dbraw/zinc/85/66/30/1063856630.db2.gz YDCGOUNOQRGBEZ-UHFFFAOYSA-N 1 1 465.606 2.504 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1)CCC(F)(F)F ZINC001295841307 1063859757 /nfs/dbraw/zinc/85/97/57/1063859757.db2.gz ALUCULOFJPZRPN-UHFFFAOYSA-N 1 1 493.538 2.628 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001295841746 1063861448 /nfs/dbraw/zinc/86/14/48/1063861448.db2.gz PPIDGRQVOPALAN-UHFFFAOYSA-N 1 1 462.602 2.818 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844216 1063863358 /nfs/dbraw/zinc/86/33/58/1063863358.db2.gz AJUUMSGJUJPJEN-SFHVURJKSA-N 1 1 499.607 2.887 20 0 JFADMO CC[N@@H+](CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)CCC(F)(F)F ZINC001295845265 1063866086 /nfs/dbraw/zinc/86/60/86/1063866086.db2.gz ILPUQUCKBUYNJP-UHFFFAOYSA-N 1 1 485.599 2.564 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)C(C)C ZINC001295845394 1063866587 /nfs/dbraw/zinc/86/65/87/1063866587.db2.gz MSFDFACXGWXBEA-LJQANCHMSA-N 1 1 487.674 2.728 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)C(C)C ZINC001295845391 1063866638 /nfs/dbraw/zinc/86/66/38/1063866638.db2.gz MSFDFACXGWXBEA-IBGZPJMESA-N 1 1 487.674 2.728 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001295845618 1063867162 /nfs/dbraw/zinc/86/71/62/1063867162.db2.gz QUFNQFNKBMHROV-YADHBBJMSA-N 1 1 454.619 2.798 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001291360024 1063870136 /nfs/dbraw/zinc/87/01/36/1063870136.db2.gz OUULWCWBKDJYNL-ICPLQIHGSA-N 1 1 461.010 2.695 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001291360026 1063870186 /nfs/dbraw/zinc/87/01/86/1063870186.db2.gz OUULWCWBKDJYNL-QUZZAMIASA-N 1 1 461.010 2.695 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001291361122 1063873679 /nfs/dbraw/zinc/87/36/79/1063873679.db2.gz HFYQDTZIKKMLIS-KKVAFCGZSA-N 1 1 451.413 2.880 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)C(C)C ZINC001295853134 1063878904 /nfs/dbraw/zinc/87/89/04/1063878904.db2.gz NZGZUSRPEBXYTM-NRFANRHFSA-N 1 1 454.619 2.911 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)CCC(F)(F)F ZINC001295853164 1063879694 /nfs/dbraw/zinc/87/96/94/1063879694.db2.gz OOSUONOMYMQLGK-WAOWUJCRSA-N 1 1 475.556 2.831 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)CCC(F)(F)F ZINC001295853162 1063879725 /nfs/dbraw/zinc/87/97/25/1063879725.db2.gz OOSUONOMYMQLGK-OPYAIIAOSA-N 1 1 475.556 2.831 20 0 JFADMO CC[N@@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001295854055 1063882084 /nfs/dbraw/zinc/88/20/84/1063882084.db2.gz UAKWDJAYNKQJLJ-UHFFFAOYSA-N 1 1 456.639 2.798 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001295854926 1063883944 /nfs/dbraw/zinc/88/39/44/1063883944.db2.gz NARRBDWHGDCJQE-UHFFFAOYSA-N 1 1 452.525 2.730 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295855562 1063885870 /nfs/dbraw/zinc/88/58/70/1063885870.db2.gz RFOCUERIFTUAQS-QHCPKHFHSA-N 1 1 481.613 2.892 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)CCC(F)(F)F ZINC001295859888 1063891488 /nfs/dbraw/zinc/89/14/88/1063891488.db2.gz ZRVGMMUSWQDPPK-OAQYLSRUSA-N 1 1 481.523 2.569 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291368107 1063893290 /nfs/dbraw/zinc/89/32/90/1063893290.db2.gz HSOQCBYGLKLMKD-RUZDIDTESA-N 1 1 468.602 2.654 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C(C)C ZINC001295861523 1063893930 /nfs/dbraw/zinc/89/39/30/1063893930.db2.gz YNHCIRUQSOVEJO-NRFANRHFSA-N 1 1 480.661 2.940 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291368820 1063894096 /nfs/dbraw/zinc/89/40/96/1063894096.db2.gz VFMLBJDIWSAPIF-VWLOTQADSA-N 1 1 467.618 2.839 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291368820 1063894106 /nfs/dbraw/zinc/89/41/06/1063894106.db2.gz VFMLBJDIWSAPIF-VWLOTQADSA-N 1 1 467.618 2.839 20 0 JFADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCN(c2ncccn2)CC1)CCC(F)(F)F ZINC001295862359 1063894645 /nfs/dbraw/zinc/89/46/45/1063894645.db2.gz MQCGUGLXJBDMMX-UHFFFAOYSA-N 1 1 452.529 2.622 20 0 JFADMO CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295861946 1063894664 /nfs/dbraw/zinc/89/46/64/1063894664.db2.gz IQAZROPVJQVWNA-QGZVFWFLSA-N 1 1 456.557 3.000 20 0 JFADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295862817 1063894937 /nfs/dbraw/zinc/89/49/37/1063894937.db2.gz RKATWEHANWAWNW-UHFFFAOYSA-N 1 1 454.545 2.565 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371338 1063897374 /nfs/dbraw/zinc/89/73/74/1063897374.db2.gz LKMGNDDRELRXGI-NLFFAJNJSA-N 1 1 473.618 2.543 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371335 1063897398 /nfs/dbraw/zinc/89/73/98/1063897398.db2.gz LKMGNDDRELRXGI-CJFMBICVSA-N 1 1 473.618 2.543 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C ZINC001295865539 1063897751 /nfs/dbraw/zinc/89/77/51/1063897751.db2.gz MIEWXNQWKFSDHA-LEWJYISDSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001295865773 1063898611 /nfs/dbraw/zinc/89/86/11/1063898611.db2.gz PGAXSNOZPCUYJS-NRFANRHFSA-N 1 1 469.634 2.760 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295866347 1063900858 /nfs/dbraw/zinc/90/08/58/1063900858.db2.gz KSHNSOKJFUZWNP-IBGZPJMESA-N 1 1 484.571 2.519 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295867551 1063902208 /nfs/dbraw/zinc/90/22/08/1063902208.db2.gz VDJBUFAQKYKGTL-LJQANCHMSA-N 1 1 477.654 2.624 20 0 JFADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001295867807 1063903266 /nfs/dbraw/zinc/90/32/66/1063903266.db2.gz ZRNQZLGUSZVESG-UHFFFAOYSA-N 1 1 487.596 2.684 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(CC)C1)CCC(F)(F)F ZINC001295867789 1063903324 /nfs/dbraw/zinc/90/33/24/1063903324.db2.gz ZHGJMEBFFKMPAL-HXUWFJFHSA-N 1 1 460.545 2.680 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295868905 1063905906 /nfs/dbraw/zinc/90/59/06/1063905906.db2.gz BHZWVBUXESNIJB-OAQYLSRUSA-N 1 1 494.637 2.510 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869294 1063906244 /nfs/dbraw/zinc/90/62/44/1063906244.db2.gz LYLPHHAWJVQLPX-GUDVDZBRSA-N 1 1 455.669 2.550 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001291377171 1063908659 /nfs/dbraw/zinc/90/86/59/1063908659.db2.gz IOCDVXJAFHJZQB-AREMUKBSSA-N 1 1 497.644 2.640 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291378261 1063911468 /nfs/dbraw/zinc/91/14/68/1063911468.db2.gz DHXFINSSALKUBY-BWKNWUBXSA-N 1 1 457.619 2.793 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCCCC1 ZINC001295874502 1063912229 /nfs/dbraw/zinc/91/22/29/1063912229.db2.gz MPHXJLGUPGZLGW-UHFFFAOYSA-N 1 1 471.631 2.692 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1CC[N@H+]1CCC[C@H]1C ZINC001295876469 1063915256 /nfs/dbraw/zinc/91/52/56/1063915256.db2.gz DHBFBWZWLXIYNH-GOSISDBHSA-N 1 1 456.616 2.849 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+](C)C(C)C ZINC001295878336 1063920183 /nfs/dbraw/zinc/92/01/83/1063920183.db2.gz RQNNYATXDDNDFT-UHFFFAOYSA-N 1 1 478.482 2.980 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001295878855 1063921353 /nfs/dbraw/zinc/92/13/53/1063921353.db2.gz SQJWEUNLMZXUIL-INIZCTEOSA-N 1 1 463.007 2.929 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cn2ccc3ccccc32)n1CC[NH+]1CCC(C)CC1 ZINC001295885233 1063931786 /nfs/dbraw/zinc/93/17/86/1063931786.db2.gz FMEYBPBWPMOIKM-UHFFFAOYSA-N 1 1 472.659 2.884 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291388982 1063938368 /nfs/dbraw/zinc/93/83/68/1063938368.db2.gz GEIBYMCFPDUFIR-CTZDUNKTSA-N 1 1 487.645 2.916 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001291390312 1063940909 /nfs/dbraw/zinc/94/09/09/1063940909.db2.gz WBGKNDJEXAQYBM-ZNZMYEMYSA-N 1 1 468.646 2.731 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291393881 1063947447 /nfs/dbraw/zinc/94/74/47/1063947447.db2.gz QCGCQOHHBFVABX-NIYFSFCBSA-N 1 1 481.645 2.910 20 0 JFADMO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896758 1063950274 /nfs/dbraw/zinc/95/02/74/1063950274.db2.gz KDQVSEHMATWWCN-NZQKXSOJSA-N 1 1 494.644 2.731 20 0 JFADMO CCn1cc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900586 1063953643 /nfs/dbraw/zinc/95/36/43/1063953643.db2.gz DUIHIJBBSRMXMS-VXKWHMMOSA-N 1 1 459.639 2.628 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291399323 1063958497 /nfs/dbraw/zinc/95/84/97/1063958497.db2.gz JPOOMOFLBPZRIP-CJFMBICVSA-N 1 1 466.634 2.507 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291402290 1063965343 /nfs/dbraw/zinc/96/53/43/1063965343.db2.gz VXAROFRHPLKBDY-HOIFWPIMSA-N 1 1 450.653 2.588 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291402292 1063965476 /nfs/dbraw/zinc/96/54/76/1063965476.db2.gz VXAROFRHPLKBDY-PNLZDCPESA-N 1 1 450.653 2.588 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291403109 1063967295 /nfs/dbraw/zinc/96/72/95/1063967295.db2.gz GTBGQAJBUHNNAN-CTIGNXTNSA-N 1 1 473.666 2.626 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291418609 1063997878 /nfs/dbraw/zinc/99/78/78/1063997878.db2.gz ZXEZVJPVGYNZEO-CSGUBPAMSA-N 1 1 460.667 2.986 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1)OC ZINC001291419308 1063998679 /nfs/dbraw/zinc/99/86/79/1063998679.db2.gz JKDHXQCHPMTTAC-ZVDOUQERSA-N 1 1 467.680 2.696 20 0 JFADMO CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001295953592 1064005436 /nfs/dbraw/zinc/00/54/36/1064005436.db2.gz HFJOBMJSXXSHGY-GOSISDBHSA-N 1 1 486.596 2.764 20 0 JFADMO CCn1cnnc1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001295953592 1064005446 /nfs/dbraw/zinc/00/54/46/1064005446.db2.gz HFJOBMJSXXSHGY-GOSISDBHSA-N 1 1 486.596 2.764 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)OC ZINC001291425959 1064008471 /nfs/dbraw/zinc/00/84/71/1064008471.db2.gz SBQVPZNIHWKWCS-AFDCHOCNSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)OC ZINC001291425959 1064008474 /nfs/dbraw/zinc/00/84/74/1064008474.db2.gz SBQVPZNIHWKWCS-AFDCHOCNSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435124 1064016001 /nfs/dbraw/zinc/01/60/01/1064016001.db2.gz YJVAJTZZUYZEHG-IRLDBZIGSA-N 1 1 489.686 2.832 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975458 1064019237 /nfs/dbraw/zinc/01/92/37/1064019237.db2.gz CAVPGPCRXUKQQO-SJORKVTESA-N 1 1 495.550 2.817 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C ZINC001295975933 1064021208 /nfs/dbraw/zinc/02/12/08/1064021208.db2.gz HAGSAHQVJDQHNK-VBURHUQHSA-N 1 1 462.545 2.944 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295976148 1064021624 /nfs/dbraw/zinc/02/16/24/1064021624.db2.gz IKHXLEBZVYLWKG-YQQAZPJKSA-N 1 1 499.479 2.922 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295976148 1064021629 /nfs/dbraw/zinc/02/16/29/1064021629.db2.gz IKHXLEBZVYLWKG-YQQAZPJKSA-N 1 1 499.479 2.922 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001291455780 1064021722 /nfs/dbraw/zinc/02/17/22/1064021722.db2.gz DHCYZQIOPBKMGN-YKSBVNFPSA-N 1 1 480.723 2.547 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(N2CCOCC2)CCSC1 ZINC001291455780 1064021726 /nfs/dbraw/zinc/02/17/26/1064021726.db2.gz DHCYZQIOPBKMGN-YKSBVNFPSA-N 1 1 480.723 2.547 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291455903 1064021792 /nfs/dbraw/zinc/02/17/92/1064021792.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 1 1 484.689 2.954 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295976610 1064022096 /nfs/dbraw/zinc/02/20/96/1064022096.db2.gz HPGSDZJQTCQCLQ-PMACEKPBSA-N 1 1 493.612 2.918 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976838 1064022532 /nfs/dbraw/zinc/02/25/32/1064022532.db2.gz LOXPUHPNZJBXME-KBPBESRZSA-N 1 1 472.487 2.847 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C ZINC001295977432 1064023440 /nfs/dbraw/zinc/02/34/40/1064023440.db2.gz KPVVLVJNVVHYSE-BBTUJRGHSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@@H]1C ZINC001295977432 1064023449 /nfs/dbraw/zinc/02/34/49/1064023449.db2.gz KPVVLVJNVVHYSE-BBTUJRGHSA-N 1 1 459.614 2.777 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001295977592 1064023858 /nfs/dbraw/zinc/02/38/58/1064023858.db2.gz OTTYQWRDNIKROX-VQTJNVASSA-N 1 1 497.669 2.866 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024224 /nfs/dbraw/zinc/02/42/24/1064024224.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 1 1 456.635 2.983 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCNC(=O)c1ccccc1F ZINC001291457975 1064024321 /nfs/dbraw/zinc/02/43/21/1064024321.db2.gz XGEKCDRODIKALB-GBESFXJTSA-N 1 1 460.598 2.906 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCNC(=O)c1ccccc1F ZINC001291457975 1064024328 /nfs/dbraw/zinc/02/43/28/1064024328.db2.gz XGEKCDRODIKALB-GBESFXJTSA-N 1 1 460.598 2.906 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978764 1064026525 /nfs/dbraw/zinc/02/65/25/1064026525.db2.gz LAPPRNJWDGJCRV-UMTXDNHDSA-N 1 1 498.672 2.976 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001295978846 1064027590 /nfs/dbraw/zinc/02/75/90/1064027590.db2.gz TYGWXUYTTQGGAL-STSQHVNTSA-N 1 1 463.648 2.675 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001295979667 1064027931 /nfs/dbraw/zinc/02/79/31/1064027931.db2.gz WZVZOMRUBXKSSI-KGLIPLIRSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001295979667 1064027936 /nfs/dbraw/zinc/02/79/36/1064027936.db2.gz WZVZOMRUBXKSSI-KGLIPLIRSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295979762 1064028733 /nfs/dbraw/zinc/02/87/33/1064028733.db2.gz XDTRMMBNCNXKQS-XFAGBWLFSA-N 1 1 461.607 2.669 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001295979764 1064028751 /nfs/dbraw/zinc/02/87/51/1064028751.db2.gz XDTRMMBNCNXKQS-YTZAWJCFSA-N 1 1 461.607 2.669 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295980171 1064029592 /nfs/dbraw/zinc/02/95/92/1064029592.db2.gz QUCIOBDPSOFPLP-WOJBJXKFSA-N 1 1 454.619 2.993 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCNC(=O)c1ccc(C)cc1 ZINC001291469460 1064029745 /nfs/dbraw/zinc/02/97/45/1064029745.db2.gz ANUAFGDKFLWGIF-YZUZCNPQSA-N 1 1 495.672 2.519 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470125 1064030117 /nfs/dbraw/zinc/03/01/17/1064030117.db2.gz LTLORUPFHLBZCT-JQVVWYNYSA-N 1 1 469.634 2.622 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001291470363 1064031047 /nfs/dbraw/zinc/03/10/47/1064031047.db2.gz PAIPPGVICKRYTR-SCTDSRPQSA-N 1 1 488.706 2.978 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccccc1COC ZINC001291470286 1064031117 /nfs/dbraw/zinc/03/11/17/1064031117.db2.gz NSAPNTDRDPKFLV-SKPFHBQLSA-N 1 1 468.646 2.975 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001295980893 1064031551 /nfs/dbraw/zinc/03/15/51/1064031551.db2.gz PYSKXPWXWOBAQX-QYZOEREBSA-N 1 1 492.690 2.794 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981462 1064032603 /nfs/dbraw/zinc/03/26/03/1064032603.db2.gz ACTDTPWPTCHGHR-SJORKVTESA-N 1 1 455.994 2.968 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032637 /nfs/dbraw/zinc/03/26/37/1064032637.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 1 1 459.683 2.945 20 0 JFADMO CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032646 /nfs/dbraw/zinc/03/26/46/1064032646.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 1 1 459.683 2.945 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(OC)c1 ZINC001291471061 1064032981 /nfs/dbraw/zinc/03/29/81/1064032981.db2.gz YPBKQXDQLQTFLL-JQVVWYNYSA-N 1 1 484.645 2.846 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CCc1cccc(C(N)=O)c1 ZINC001291475174 1064034360 /nfs/dbraw/zinc/03/43/60/1064034360.db2.gz AVJMYEZQNHIIBX-DWLFOUALSA-N 1 1 454.619 2.680 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@@H]1C ZINC001295982473 1064035084 /nfs/dbraw/zinc/03/50/84/1064035084.db2.gz TUXCMZFNHMZBPW-OKZBNKHCSA-N 1 1 466.627 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291476828 1064035132 /nfs/dbraw/zinc/03/51/32/1064035132.db2.gz XAXXLSJRSCONTA-UPUUWEMXSA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291476826 1064035148 /nfs/dbraw/zinc/03/51/48/1064035148.db2.gz XAXXLSJRSCONTA-HULNYRCFSA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291478640 1064035580 /nfs/dbraw/zinc/03/55/80/1064035580.db2.gz WPLNPPPIOFKUQY-NSHGMRRFSA-N 1 1 473.618 2.709 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479155 1064035662 /nfs/dbraw/zinc/03/56/62/1064035662.db2.gz FDWOLBLROCXRHU-BQFCYCMXSA-N 1 1 466.677 2.813 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC001295982800 1064036568 /nfs/dbraw/zinc/03/65/68/1064036568.db2.gz YJLJMJAPULDHCT-ZWOKBUDYSA-N 1 1 461.010 2.959 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983326 1064039045 /nfs/dbraw/zinc/03/90/45/1064039045.db2.gz IAIDNTRJHGASEQ-XGHQBKJUSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@@H]1C ZINC001295983542 1064039494 /nfs/dbraw/zinc/03/94/94/1064039494.db2.gz WYZDKVPOABQXJM-SLFFLAALSA-N 1 1 468.606 2.550 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001295983879 1064040125 /nfs/dbraw/zinc/04/01/25/1064040125.db2.gz XMZRDRGTOZXWFS-CEXWTWQISA-N 1 1 490.674 2.548 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001295987350 1064044002 /nfs/dbraw/zinc/04/40/02/1064044002.db2.gz ZYUVDZOQFFYXQK-LUFHRXKISA-N 1 1 461.632 2.792 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001291490431 1064044957 /nfs/dbraw/zinc/04/49/57/1064044957.db2.gz TXJQMSDPIHBZLK-JQVVWYNYSA-N 1 1 488.599 2.746 20 0 JFADMO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295990983 1064045375 /nfs/dbraw/zinc/04/53/75/1064045375.db2.gz ONYNPHDASSBFLQ-DNQXCXABSA-N 1 1 456.631 2.988 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990175 1064045443 /nfs/dbraw/zinc/04/54/43/1064045443.db2.gz FGZJOXPOJXMEQL-IRXDYDNUSA-N 1 1 489.671 2.607 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CCOCCS(C)(=O)=O ZINC001291494509 1064047860 /nfs/dbraw/zinc/04/78/60/1064047860.db2.gz AVUOCXQKJYSEAX-GOSISDBHSA-N 1 1 478.663 2.770 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CCOCCS(C)(=O)=O ZINC001291494510 1064047889 /nfs/dbraw/zinc/04/78/89/1064047889.db2.gz AVUOCXQKJYSEAX-SFHVURJKSA-N 1 1 478.663 2.770 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001295993825 1064049706 /nfs/dbraw/zinc/04/97/06/1064049706.db2.gz UIKOCKDYZUCZQS-JKSUJKDBSA-N 1 1 459.396 2.918 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001295993824 1064049745 /nfs/dbraw/zinc/04/97/45/1064049745.db2.gz UIKOCKDYZUCZQS-HZPDHXFCSA-N 1 1 459.396 2.918 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994749 1064050753 /nfs/dbraw/zinc/05/07/53/1064050753.db2.gz JKARCAZWKWBMAT-XYJFISCASA-N 1 1 493.454 2.588 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@@H]1C ZINC001295995189 1064050986 /nfs/dbraw/zinc/05/09/86/1064050986.db2.gz XPZYOUDDWQOGLR-JKSUJKDBSA-N 1 1 474.411 2.703 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291501563 1064052180 /nfs/dbraw/zinc/05/21/80/1064052180.db2.gz REUUCBVJXAIFRQ-IBGZPJMESA-N 1 1 486.752 2.727 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996820 1064053265 /nfs/dbraw/zinc/05/32/65/1064053265.db2.gz NSOGWSCBTBSAHP-ZWKOTPCHSA-N 1 1 481.601 2.923 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC001295998337 1064055629 /nfs/dbraw/zinc/05/56/29/1064055629.db2.gz VIFUPQCFDDSIHY-IRFCIJBXSA-N 1 1 472.609 2.589 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998693 1064055704 /nfs/dbraw/zinc/05/57/04/1064055704.db2.gz VAVOSVWGKNTLBQ-MSOLQXFVSA-N 1 1 453.591 2.538 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061225 /nfs/dbraw/zinc/06/12/25/1064061225.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 1 1 456.635 2.539 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008827 1064062936 /nfs/dbraw/zinc/06/29/36/1064062936.db2.gz BPOZYDZWJKWIQU-UXHICEINSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008830 1064062958 /nfs/dbraw/zinc/06/29/58/1064062958.db2.gz BPOZYDZWJKWIQU-WOJBJXKFSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008899 1064063552 /nfs/dbraw/zinc/06/35/52/1064063552.db2.gz BWXFXPIODSSPDG-CABCVRRESA-N 1 1 470.952 2.811 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066547 /nfs/dbraw/zinc/06/65/47/1064066547.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 1 1 470.662 2.712 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296009804 1064067038 /nfs/dbraw/zinc/06/70/38/1064067038.db2.gz IGSKEPOUGHRQFL-ROUUACIJSA-N 1 1 458.582 2.961 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296010159 1064067476 /nfs/dbraw/zinc/06/74/76/1064067476.db2.gz PKZCTSCCBMFJFG-PMACEKPBSA-N 1 1 457.619 2.532 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010864 1064069620 /nfs/dbraw/zinc/06/96/20/1064069620.db2.gz MYOKQDXRPVEYKO-MOPGFXCFSA-N 1 1 499.626 2.984 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291517321 1064070405 /nfs/dbraw/zinc/07/04/05/1064070405.db2.gz SPZMTJXXUJNRDQ-AUSIDOKSSA-N 1 1 499.660 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013135 1064074115 /nfs/dbraw/zinc/07/41/15/1064074115.db2.gz MHILNJZRMGEOBP-SEKIOLSNSA-N 1 1 475.609 2.968 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014580 1064076443 /nfs/dbraw/zinc/07/64/43/1064076443.db2.gz YOBMUJTUVUBBCB-MOPGFXCFSA-N 1 1 471.581 2.806 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@H]1C ZINC001296016850 1064078021 /nfs/dbraw/zinc/07/80/21/1064078021.db2.gz VPTYATMEIUUTOH-ZRSRNVLSSA-N 1 1 468.618 2.952 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291538047 1064078941 /nfs/dbraw/zinc/07/89/41/1064078941.db2.gz LDWGTCASBWRJFI-RDGATRHJSA-N 1 1 481.689 2.962 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291538984 1064080243 /nfs/dbraw/zinc/08/02/43/1064080243.db2.gz XYUFJMYEXAYASL-ZCNNSNEGSA-N 1 1 454.685 2.678 20 0 JFADMO CCN1C[C@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)Oc2ccccc21 ZINC001296019417 1064081391 /nfs/dbraw/zinc/08/13/91/1064081391.db2.gz XSKWJHOOWQCSQL-DFBJGRDBSA-N 1 1 456.635 2.657 20 0 JFADMO CC[NH+]1CCC(CCn2c(N3CCN(C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296031088 1064088600 /nfs/dbraw/zinc/08/86/00/1064088600.db2.gz PSOSHTQQJCXJGN-RUZDIDTESA-N 1 1 462.683 2.971 20 0 JFADMO CC[NH+]1CCC(CCn2c(N3CCN(C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296031089 1064088746 /nfs/dbraw/zinc/08/87/46/1064088746.db2.gz PSOSHTQQJCXJGN-VWLOTQADSA-N 1 1 462.683 2.971 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032838 1064090080 /nfs/dbraw/zinc/09/00/80/1064090080.db2.gz FLJKQFVXUFMHMN-GJZGRUSLSA-N 1 1 473.018 2.659 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001291550700 1064090139 /nfs/dbraw/zinc/09/01/39/1064090139.db2.gz VLUSZRRZNTYTQU-APWZRJJASA-N 1 1 457.604 2.742 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001296032692 1064090119 /nfs/dbraw/zinc/09/01/19/1064090119.db2.gz BQOGSDNHLXDDET-URVUXULASA-N 1 1 470.618 2.729 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032839 1064090137 /nfs/dbraw/zinc/09/01/37/1064090137.db2.gz FLJKQFVXUFMHMN-HUUCEWRRSA-N 1 1 473.018 2.659 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296032960 1064090469 /nfs/dbraw/zinc/09/04/69/1064090469.db2.gz GVQUNUOHQNREEH-LQWHRVPQSA-N 1 1 479.622 2.912 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)C1 ZINC001296033002 1064090542 /nfs/dbraw/zinc/09/05/42/1064090542.db2.gz HNLSVIMPXVHXHW-OAQYLSRUSA-N 1 1 481.645 2.794 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033074 1064091059 /nfs/dbraw/zinc/09/10/59/1064091059.db2.gz JBSVFMMPUJHFDC-AQNXPRMDSA-N 1 1 480.654 2.790 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001296033163 1064091450 /nfs/dbraw/zinc/09/14/50/1064091450.db2.gz KNSOTCPDKVKIJW-IFMALSPDSA-N 1 1 467.618 2.594 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296034681 1064093477 /nfs/dbraw/zinc/09/34/77/1064093477.db2.gz WXKZFGFHKZXSAH-ABSDTBQOSA-N 1 1 465.595 2.522 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(-n2cncn2)c1 ZINC001291566084 1064094183 /nfs/dbraw/zinc/09/41/83/1064094183.db2.gz BOAVEQUFJNDDDK-NRFANRHFSA-N 1 1 493.660 2.801 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1cccc(-n2cncn2)c1 ZINC001291566084 1064094191 /nfs/dbraw/zinc/09/41/91/1064094191.db2.gz BOAVEQUFJNDDDK-NRFANRHFSA-N 1 1 493.660 2.801 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001296035156 1064094320 /nfs/dbraw/zinc/09/43/20/1064094320.db2.gz APYNDJRVECMGTP-IBGZPJMESA-N 1 1 474.675 2.666 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291566924 1064094474 /nfs/dbraw/zinc/09/44/74/1064094474.db2.gz FTSWVMYKFHCUKC-RTBURBONSA-N 1 1 452.669 2.528 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001296036011 1064095309 /nfs/dbraw/zinc/09/53/09/1064095309.db2.gz GSMKBXQJZCTPKA-CTNGQTDRSA-N 1 1 473.618 2.934 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001296036200 1064095836 /nfs/dbraw/zinc/09/58/36/1064095836.db2.gz HGVRKRWXOGPYJY-JKSUJKDBSA-N 1 1 491.434 2.725 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291569942 1064096595 /nfs/dbraw/zinc/09/65/95/1064096595.db2.gz SODSRLJHTPBPCR-NRFANRHFSA-N 1 1 495.672 2.676 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291569942 1064096598 /nfs/dbraw/zinc/09/65/98/1064096598.db2.gz SODSRLJHTPBPCR-NRFANRHFSA-N 1 1 495.672 2.676 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296036849 1064096870 /nfs/dbraw/zinc/09/68/70/1064096870.db2.gz MWXLZJDNYQOIGC-VQTJNVASSA-N 1 1 470.618 2.657 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291569945 1064096907 /nfs/dbraw/zinc/09/69/07/1064096907.db2.gz SODSRLJHTPBPCR-OAQYLSRUSA-N 1 1 495.672 2.676 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291569945 1064096914 /nfs/dbraw/zinc/09/69/14/1064096914.db2.gz SODSRLJHTPBPCR-OAQYLSRUSA-N 1 1 495.672 2.676 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291570078 1064096937 /nfs/dbraw/zinc/09/69/37/1064096937.db2.gz ULWACYYDCIDKJY-UXHICEINSA-N 1 1 459.614 2.889 20 0 JFADMO CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001296039264 1064099008 /nfs/dbraw/zinc/09/90/08/1064099008.db2.gz SALJFYGBLBJGQP-IAGOWNOFSA-N 1 1 452.024 2.954 20 0 JFADMO CC(C)(C)OC(=O)N1CC=C(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001291575835 1064099357 /nfs/dbraw/zinc/09/93/57/1064099357.db2.gz AYPARKOXJJTRPN-UHFFFAOYSA-N 1 1 452.596 2.613 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291576891 1064100257 /nfs/dbraw/zinc/10/02/57/1064100257.db2.gz CNRPKCXIAXFIJS-DENIHFKCSA-N 1 1 472.609 2.740 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291576893 1064100275 /nfs/dbraw/zinc/10/02/75/1064100275.db2.gz CNRPKCXIAXFIJS-KNQAVFIVSA-N 1 1 472.609 2.740 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(=O)NC)C2)C1 ZINC001296041152 1064101358 /nfs/dbraw/zinc/10/13/58/1064101358.db2.gz YRGOSBCHSSSRHU-WMZOPIPTSA-N 1 1 462.545 2.851 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291577590 1064101649 /nfs/dbraw/zinc/10/16/49/1064101649.db2.gz IWFCZECIGKZERJ-FQEVSTJZSA-N 1 1 485.677 2.991 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001291578250 1064103100 /nfs/dbraw/zinc/10/31/00/1064103100.db2.gz CSZSCMPPGHHTNH-QBFCQJJASA-N 1 1 472.634 2.652 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001291578252 1064103111 /nfs/dbraw/zinc/10/31/11/1064103111.db2.gz CSZSCMPPGHHTNH-SBJAYZTMSA-N 1 1 472.634 2.652 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001291578255 1064103210 /nfs/dbraw/zinc/10/32/10/1064103210.db2.gz CSZSCMPPGHHTNH-SMTRDTIPSA-N 1 1 472.634 2.652 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296044261 1064103697 /nfs/dbraw/zinc/10/36/97/1064103697.db2.gz BQILQLFQXCNKDP-MSOLQXFVSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296045027 1064105456 /nfs/dbraw/zinc/10/54/56/1064105456.db2.gz ILXZAQXOGCEPLC-MSOLQXFVSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296048309 1064107484 /nfs/dbraw/zinc/10/74/84/1064107484.db2.gz CBULFJRNNGPDLE-OALUTQOASA-N 1 1 472.659 2.951 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001296048948 1064108751 /nfs/dbraw/zinc/10/87/51/1064108751.db2.gz ZLIGOAZQUGNLSJ-UXHICEINSA-N 1 1 461.632 2.554 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001296048994 1064109227 /nfs/dbraw/zinc/10/92/27/1064109227.db2.gz FRTUQWSRLCODBM-HXUWFJFHSA-N 1 1 468.646 2.914 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296049802 1064109470 /nfs/dbraw/zinc/10/94/70/1064109470.db2.gz LZJIUTOYKITFPZ-FQEVSTJZSA-N 1 1 475.659 2.645 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296050959 1064110938 /nfs/dbraw/zinc/11/09/38/1064110938.db2.gz WGFMBCIRBRNMFH-DHIUTWEWSA-N 1 1 468.646 2.766 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001296051181 1064111311 /nfs/dbraw/zinc/11/13/11/1064111311.db2.gz CWXHGYWNRJQJRE-GOSISDBHSA-N 1 1 457.575 2.597 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CNC(C)=O)CC2)C1 ZINC001296052100 1064113021 /nfs/dbraw/zinc/11/30/21/1064113021.db2.gz NVEFYDVZRAHGHV-FQEVSTJZSA-N 1 1 458.582 2.691 20 0 JFADMO CCN1CCCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296052124 1064113521 /nfs/dbraw/zinc/11/35/21/1064113521.db2.gz OJJITHXBGUWHPF-IBGZPJMESA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296055219 1064116376 /nfs/dbraw/zinc/11/63/76/1064116376.db2.gz FJHLQFRYVZTOCB-MSOLQXFVSA-N 1 1 484.605 2.513 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296055229 1064116684 /nfs/dbraw/zinc/11/66/84/1064116684.db2.gz FKMPYMNSBXTIEG-WZOHSFFVSA-N 1 1 492.665 2.764 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1OC ZINC001296056093 1064117204 /nfs/dbraw/zinc/11/72/04/1064117204.db2.gz JOFNMHJUJCZEOX-LJQANCHMSA-N 1 1 456.591 2.522 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001296056743 1064117539 /nfs/dbraw/zinc/11/75/39/1064117539.db2.gz NQNAEAJISLJVPP-AYFFQZOVSA-N 1 1 475.659 2.718 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1 ZINC001296058703 1064120704 /nfs/dbraw/zinc/12/07/04/1064120704.db2.gz CGYWKYXXLIWTQI-OKZBNKHCSA-N 1 1 481.692 2.522 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296058887 1064121489 /nfs/dbraw/zinc/12/14/89/1064121489.db2.gz DPMMCZFTDOQTHX-QUCCMNQESA-N 1 1 491.036 2.851 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001296059246 1064121870 /nfs/dbraw/zinc/12/18/70/1064121870.db2.gz HAVATFAZZIDLDM-SFHVURJKSA-N 1 1 488.633 2.806 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001296059515 1064122551 /nfs/dbraw/zinc/12/25/51/1064122551.db2.gz HNUWVUVTJIEITE-ROUUACIJSA-N 1 1 462.545 2.993 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291590369 1064123905 /nfs/dbraw/zinc/12/39/05/1064123905.db2.gz VKPRMZLTOSLWNZ-UNMCSNQZSA-N 1 1 470.618 2.971 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291590720 1064124127 /nfs/dbraw/zinc/12/41/27/1064124127.db2.gz SIYGKEKKQGAXKG-FCHUYYIVSA-N 1 1 475.682 2.876 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291590616 1064124145 /nfs/dbraw/zinc/12/41/45/1064124145.db2.gz YCJBSVTVDZXHIF-IBGZPJMESA-N 1 1 456.591 2.561 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001296060380 1064125294 /nfs/dbraw/zinc/12/52/94/1064125294.db2.gz MPYQDLJFUOZJQC-KURKYZTESA-N 1 1 497.065 2.684 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1)S(C)(=O)=O ZINC001296060825 1064125856 /nfs/dbraw/zinc/12/58/56/1064125856.db2.gz SAFUYQXOINWIBY-NRFANRHFSA-N 1 1 490.674 2.688 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1 ZINC001296060953 1064126184 /nfs/dbraw/zinc/12/61/84/1064126184.db2.gz TXMDXQKHJLEKOS-GOSISDBHSA-N 1 1 460.629 2.926 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C(=O)OC)CC1 ZINC001296061274 1064126592 /nfs/dbraw/zinc/12/65/92/1064126592.db2.gz JSXHNUOHWKXOCI-SFHVURJKSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296061769 1064127151 /nfs/dbraw/zinc/12/71/51/1064127151.db2.gz XQNMRASVCAEZIL-FUHWJXTLSA-N 1 1 461.408 2.894 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291593442 1064129292 /nfs/dbraw/zinc/12/92/92/1064129292.db2.gz QLNMCRKLRYDOEM-WMTXJRDZSA-N 1 1 497.688 2.641 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001291594038 1064130018 /nfs/dbraw/zinc/13/00/18/1064130018.db2.gz VTLMVBUGEUCPRB-NNMXDRDESA-N 1 1 453.635 2.623 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC001296063602 1064130072 /nfs/dbraw/zinc/13/00/72/1064130072.db2.gz XBIDEELBOVXMBT-RTBURBONSA-N 1 1 460.627 2.689 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291594596 1064130807 /nfs/dbraw/zinc/13/08/07/1064130807.db2.gz IPSXJRRVDSQKDC-FHWLQOOXSA-N 1 1 459.605 2.890 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296066228 1064131148 /nfs/dbraw/zinc/13/11/48/1064131148.db2.gz BNCJCBJPNKNSLR-RBUKOAKNSA-N 1 1 475.638 2.549 20 0 JFADMO CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065126 1064131168 /nfs/dbraw/zinc/13/11/68/1064131168.db2.gz JUBGLQGWGBWCBZ-GOSISDBHSA-N 1 1 451.539 2.756 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001296066530 1064131985 /nfs/dbraw/zinc/13/19/85/1064131985.db2.gz CXMNMFOPODYVET-DLBZAZTESA-N 1 1 478.544 2.960 20 0 JFADMO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067229 1064132536 /nfs/dbraw/zinc/13/25/36/1064132536.db2.gz IIVOIJNOKTXMIU-UXHICEINSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001296067229 1064132539 /nfs/dbraw/zinc/13/25/39/1064132539.db2.gz IIVOIJNOKTXMIU-UXHICEINSA-N 1 1 488.599 2.747 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001296066621 1064132563 /nfs/dbraw/zinc/13/25/63/1064132563.db2.gz DKLKCVAYUVXBOX-RLLQIKCJSA-N 1 1 489.665 2.843 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001296067900 1064133447 /nfs/dbraw/zinc/13/34/47/1064133447.db2.gz LHGLZFAROCGMAY-WMZOPIPTSA-N 1 1 453.559 2.579 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001296070518 1064135214 /nfs/dbraw/zinc/13/52/14/1064135214.db2.gz AJSTYQCOSPMELB-NRFANRHFSA-N 1 1 455.607 2.663 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC ZINC001296070630 1064135723 /nfs/dbraw/zinc/13/57/23/1064135723.db2.gz BZRNHNUYXKYYPU-FXAWDEMLSA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001296072372 1064136634 /nfs/dbraw/zinc/13/66/34/1064136634.db2.gz MVGGXKLKIPFALL-YADHBBJMSA-N 1 1 457.619 2.992 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001296072852 1064137611 /nfs/dbraw/zinc/13/76/11/1064137611.db2.gz FXVWTPLMFLIOJU-RTBURBONSA-N 1 1 468.572 2.697 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296073285 1064137919 /nfs/dbraw/zinc/13/79/19/1064137919.db2.gz IBKOFUSXKIKYOE-QHCPKHFHSA-N 1 1 488.702 2.798 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001296073342 1064138560 /nfs/dbraw/zinc/13/85/60/1064138560.db2.gz CYZLJMRSWCZEFS-KRWDZBQOSA-N 1 1 482.555 2.777 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001296073538 1064138921 /nfs/dbraw/zinc/13/89/21/1064138921.db2.gz RRLHQRJLWJUPMW-HXUWFJFHSA-N 1 1 459.664 2.859 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001296073820 1064139535 /nfs/dbraw/zinc/13/95/35/1064139535.db2.gz LIGPTLCGOHSGHF-PXOZOSLHSA-N 1 1 472.659 2.820 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001296073940 1064140031 /nfs/dbraw/zinc/14/00/31/1064140031.db2.gz IALHYXZYKWYBSI-QHCPKHFHSA-N 1 1 467.662 2.921 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001296073940 1064140036 /nfs/dbraw/zinc/14/00/36/1064140036.db2.gz IALHYXZYKWYBSI-QHCPKHFHSA-N 1 1 467.662 2.921 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 ZINC001296074568 1064140897 /nfs/dbraw/zinc/14/08/97/1064140897.db2.gz LNIDGIOCOUMUQI-ZCNNSNEGSA-N 1 1 478.638 2.686 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001296074767 1064141437 /nfs/dbraw/zinc/14/14/37/1064141437.db2.gz XPDBKKDGDNXLCG-FGZHOGPDSA-N 1 1 473.710 2.874 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001291606509 1064142662 /nfs/dbraw/zinc/14/26/62/1064142662.db2.gz QPXKFQLIXSINPI-PZJWPPBQSA-N 1 1 468.650 2.877 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296075980 1064143980 /nfs/dbraw/zinc/14/39/80/1064143980.db2.gz ZHIPXMBHBLLDEI-NRFANRHFSA-N 1 1 490.674 2.558 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001296076516 1064144911 /nfs/dbraw/zinc/14/49/11/1064144911.db2.gz XKJKXBLXDRSLPY-QGZVFWFLSA-N 1 1 452.525 2.868 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001296076454 1064144924 /nfs/dbraw/zinc/14/49/24/1064144924.db2.gz XAKGJCWRWVGYBA-BURNTYAHSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078919 1064145525 /nfs/dbraw/zinc/14/55/25/1064145525.db2.gz AIXYRWTTYUNQGM-PZJWPPBQSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078918 1064145563 /nfs/dbraw/zinc/14/55/63/1064145563.db2.gz AIXYRWTTYUNQGM-FPOVZHCZSA-N 1 1 467.618 2.723 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079361 1064146495 /nfs/dbraw/zinc/14/64/95/1064146495.db2.gz FRHFWFVCEKUBLJ-PMACEKPBSA-N 1 1 480.654 2.934 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079368 1064146528 /nfs/dbraw/zinc/14/65/28/1064146528.db2.gz FRHFWFVCEKUBLJ-UXHICEINSA-N 1 1 480.654 2.934 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079641 1064147276 /nfs/dbraw/zinc/14/72/76/1064147276.db2.gz HJTOLBUZAVBLSB-RBBKRZOGSA-N 1 1 459.683 2.845 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001296081054 1064148199 /nfs/dbraw/zinc/14/81/99/1064148199.db2.gz PRBVOQWYGCADNA-FBBABVLZSA-N 1 1 460.648 2.886 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296081429 1064149339 /nfs/dbraw/zinc/14/93/39/1064149339.db2.gz UBZVWYUHDRXRJF-HKUYNNGSSA-N 1 1 450.591 2.910 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001296082629 1064150334 /nfs/dbraw/zinc/15/03/34/1064150334.db2.gz DPCZVGWJAHWTPQ-AZUAARDMSA-N 1 1 453.505 2.735 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296083470 1064151245 /nfs/dbraw/zinc/15/12/45/1064151245.db2.gz FOEMZGLHFXIQFF-QZTJIDSGSA-N 1 1 456.595 2.713 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296084700 1064151753 /nfs/dbraw/zinc/15/17/53/1064151753.db2.gz NYDLYVLBOQTYFU-NHCUHLMSSA-N 1 1 474.675 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087632 1064156891 /nfs/dbraw/zinc/15/68/91/1064156891.db2.gz MPIXVSFLNBWLFX-NJDAHSKKSA-N 1 1 492.665 2.776 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296088696 1064158825 /nfs/dbraw/zinc/15/88/25/1064158825.db2.gz VRKUWPRFVHJJMO-LJQANCHMSA-N 1 1 454.685 2.507 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296088884 1064158963 /nfs/dbraw/zinc/15/89/63/1064158963.db2.gz NCEXELVNSTXOEP-PKOBYXMFSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088956 1064159563 /nfs/dbraw/zinc/15/95/63/1064159563.db2.gz WVUAHHYXIXTXHX-IRLDBZIGSA-N 1 1 474.675 2.627 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1CC[N@@H+](CC)C(C)C ZINC001291621543 1064161956 /nfs/dbraw/zinc/16/19/56/1064161956.db2.gz VFCKPROPIPXXJU-MOPGFXCFSA-N 1 1 454.627 2.675 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001296090327 1064162042 /nfs/dbraw/zinc/16/20/42/1064162042.db2.gz VHGDUIQHNHQZQR-IBGZPJMESA-N 1 1 464.636 2.581 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622326 1064163265 /nfs/dbraw/zinc/16/32/65/1064163265.db2.gz VKKRWRFPFRJACY-ZWKOTPCHSA-N 1 1 455.607 2.883 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001296092193 1064164110 /nfs/dbraw/zinc/16/41/10/1064164110.db2.gz GSIQXWOTUCJJGP-FCHUYYIVSA-N 1 1 453.635 2.879 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001296092080 1064164147 /nfs/dbraw/zinc/16/41/47/1064164147.db2.gz GBSWKMFHCAAIDK-UNMCSNQZSA-N 1 1 487.693 2.652 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001296092201 1064164615 /nfs/dbraw/zinc/16/46/15/1064164615.db2.gz GSIQXWOTUCJJGP-YADHBBJMSA-N 1 1 453.635 2.879 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095278 1064168384 /nfs/dbraw/zinc/16/83/84/1064168384.db2.gz GFNYVBVLVVFQGS-SLYNCCJLSA-N 1 1 476.647 2.849 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1Cc1cc(C)no1 ZINC001291627583 1064169314 /nfs/dbraw/zinc/16/93/14/1064169314.db2.gz DPQYKLRPQDDFII-AZUAARDMSA-N 1 1 454.575 2.698 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1Cc1cc(C)no1 ZINC001291627585 1064169647 /nfs/dbraw/zinc/16/96/47/1064169647.db2.gz DPQYKLRPQDDFII-QUCCMNQESA-N 1 1 454.575 2.698 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cnccc1OC ZINC001291628636 1064171121 /nfs/dbraw/zinc/17/11/21/1064171121.db2.gz IZYUXJOCDFQVTR-KRWDZBQOSA-N 1 1 452.607 2.916 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097893 1064171204 /nfs/dbraw/zinc/17/12/04/1064171204.db2.gz TXVBKGHJGIZTIN-RTBURBONSA-N 1 1 474.610 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001296098407 1064171761 /nfs/dbraw/zinc/17/17/61/1064171761.db2.gz XMSUICQQFMISNA-FQEVSTJZSA-N 1 1 491.036 2.680 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCCNC(=O)C(C)C ZINC001291629301 1064173118 /nfs/dbraw/zinc/17/31/18/1064173118.db2.gz MEMFKDSNHSGNFL-GOSISDBHSA-N 1 1 458.655 2.626 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291630926 1064177263 /nfs/dbraw/zinc/17/72/63/1064177263.db2.gz WCERYVFXUCRWHY-LJQANCHMSA-N 1 1 486.690 2.914 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001296105871 1064184046 /nfs/dbraw/zinc/18/40/46/1064184046.db2.gz NAENMHQGWIMBJK-GOSISDBHSA-N 1 1 461.010 2.504 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639051 1064186876 /nfs/dbraw/zinc/18/68/76/1064186876.db2.gz LFXHMJMKPFFHBJ-BHDDXSALSA-N 1 1 450.672 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639699 1064188052 /nfs/dbraw/zinc/18/80/52/1064188052.db2.gz ODBMEQCSPRYSQD-NFBKMPQASA-N 1 1 455.651 2.775 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291640272 1064189442 /nfs/dbraw/zinc/18/94/42/1064189442.db2.gz QVFANMJFNDOIGH-WBADGQHESA-N 1 1 462.683 2.838 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001291643128 1064193120 /nfs/dbraw/zinc/19/31/20/1064193120.db2.gz NMAIDARUTLXDNT-HNNXBMFYSA-N 1 1 467.517 2.938 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001291643290 1064193816 /nfs/dbraw/zinc/19/38/16/1064193816.db2.gz GWXBCYCMJFHGOD-KRWDZBQOSA-N 1 1 495.719 2.942 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001291643325 1064194171 /nfs/dbraw/zinc/19/41/71/1064194171.db2.gz HEGGOLAJDHYPHG-AZUAARDMSA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291643442 1064194549 /nfs/dbraw/zinc/19/45/49/1064194549.db2.gz PDVMRWKMZDGSGB-OTWHNJEPSA-N 1 1 476.588 2.602 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1cccnc1-n1cccn1 ZINC001291643735 1064195579 /nfs/dbraw/zinc/19/55/79/1064195579.db2.gz QUPAPSLMBMDNRC-FQEVSTJZSA-N 1 1 452.607 2.968 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001291644300 1064197428 /nfs/dbraw/zinc/19/74/28/1064197428.db2.gz WFRGQLDHDFEGBG-FNAHDJPLSA-N 1 1 480.723 2.611 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)(C)C)n3CCc3ccccn3)CC2)CC1 ZINC001296118615 1064201077 /nfs/dbraw/zinc/20/10/77/1064201077.db2.gz FROMHJYMJMLQRE-UHFFFAOYSA-N 1 1 467.662 2.984 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CC4)n3CC[C@H](OC)C(F)(F)F)CC2)CC1 ZINC001296119002 1064203086 /nfs/dbraw/zinc/20/30/86/1064203086.db2.gz MWQFEZBKLKNGOS-IBGZPJMESA-N 1 1 486.583 2.894 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CC4)n3CC[C@@H](OC)C(F)(F)F)CC2)CC1 ZINC001296119003 1064203139 /nfs/dbraw/zinc/20/31/39/1064203139.db2.gz MWQFEZBKLKNGOS-LJQANCHMSA-N 1 1 486.583 2.894 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651286 1064204800 /nfs/dbraw/zinc/20/48/00/1064204800.db2.gz XISIHYWITBDPHL-FHWLQOOXSA-N 1 1 450.628 2.815 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651286 1064204809 /nfs/dbraw/zinc/20/48/09/1064204809.db2.gz XISIHYWITBDPHL-FHWLQOOXSA-N 1 1 450.628 2.815 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](C)COC)CC2)CC1 ZINC001296119788 1064205898 /nfs/dbraw/zinc/20/58/98/1064205898.db2.gz XAYFCKINMFCUHQ-RBBKRZOGSA-N 1 1 476.666 2.573 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@@H](C)COC)CC2)CC1 ZINC001296119786 1064206003 /nfs/dbraw/zinc/20/60/03/1064206003.db2.gz XAYFCKINMFCUHQ-IRLDBZIGSA-N 1 1 476.666 2.573 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001296119939 1064207141 /nfs/dbraw/zinc/20/71/41/1064207141.db2.gz IMYIPZJCDZLBLO-FQEVSTJZSA-N 1 1 488.608 2.556 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120077 1064207820 /nfs/dbraw/zinc/20/78/20/1064207820.db2.gz DJRZTKJWUAXVKU-HKUYNNGSSA-N 1 1 464.561 2.798 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120131 1064208289 /nfs/dbraw/zinc/20/82/89/1064208289.db2.gz FGNDXUBEDXIDPO-KRWDZBQOSA-N 1 1 464.561 2.834 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296120336 1064209365 /nfs/dbraw/zinc/20/93/65/1064209365.db2.gz HNYITWJQNJBMIR-MZKRTTBSSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120555 1064210498 /nfs/dbraw/zinc/21/04/98/1064210498.db2.gz JLEBYOQEMYQGTA-VXKWHMMOSA-N 1 1 467.662 2.917 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122346 1064214586 /nfs/dbraw/zinc/21/45/86/1064214586.db2.gz VXNAINAMJUSWDV-MOPGFXCFSA-N 1 1 474.053 2.682 20 0 JFADMO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001296122477 1064215039 /nfs/dbraw/zinc/21/50/39/1064215039.db2.gz WKWNVVMRFXTWFS-OAQYLSRUSA-N 1 1 454.667 2.750 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123523 1064215886 /nfs/dbraw/zinc/21/58/86/1064215886.db2.gz APPIIWNETRVDIX-OAQYLSRUSA-N 1 1 456.635 2.603 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123815 1064216238 /nfs/dbraw/zinc/21/62/38/1064216238.db2.gz CIHMRKVLGVCDHI-KRWDZBQOSA-N 1 1 463.424 2.570 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291680827 1064216646 /nfs/dbraw/zinc/21/66/46/1064216646.db2.gz HUTRITYCAXLKBI-LJQANCHMSA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291680827 1064216655 /nfs/dbraw/zinc/21/66/55/1064216655.db2.gz HUTRITYCAXLKBI-LJQANCHMSA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291680827 1064216665 /nfs/dbraw/zinc/21/66/65/1064216665.db2.gz HUTRITYCAXLKBI-LJQANCHMSA-N 1 1 450.697 2.920 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125571 1064219654 /nfs/dbraw/zinc/21/96/54/1064219654.db2.gz MUSHGNSEPDCKJD-MJGOQNOKSA-N 1 1 462.042 2.881 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126429 1064220491 /nfs/dbraw/zinc/22/04/91/1064220491.db2.gz PZVFKKQGCYRESS-LJQANCHMSA-N 1 1 472.634 2.951 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296126848 1064220752 /nfs/dbraw/zinc/22/07/52/1064220752.db2.gz RYJIXMIUSMDOAF-MIZPHKNDSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129854 1064223258 /nfs/dbraw/zinc/22/32/58/1064223258.db2.gz BZNVUJPIVSYGSX-IRLDBZIGSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129956 1064223278 /nfs/dbraw/zinc/22/32/78/1064223278.db2.gz CZVULFFXBLVDHK-RTBURBONSA-N 1 1 461.655 2.627 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296130717 1064224211 /nfs/dbraw/zinc/22/42/11/1064224211.db2.gz GGBKBTWZAUOMGN-IBGZPJMESA-N 1 1 491.084 2.994 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296130994 1064224455 /nfs/dbraw/zinc/22/44/55/1064224455.db2.gz HOFWLIZMYAADSC-LJQANCHMSA-N 1 1 496.050 2.935 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131185 1064225006 /nfs/dbraw/zinc/22/50/06/1064225006.db2.gz HZBKQZPBYQEOET-MOPGFXCFSA-N 1 1 488.633 2.602 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC001296131212 1064225136 /nfs/dbraw/zinc/22/51/36/1064225136.db2.gz IMKGYFRTGREJPJ-YADHBBJMSA-N 1 1 492.672 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131351 1064225476 /nfs/dbraw/zinc/22/54/76/1064225476.db2.gz JKDXLXBANAYMBN-ROUUACIJSA-N 1 1 467.456 2.687 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296131755 1064226937 /nfs/dbraw/zinc/22/69/37/1064226937.db2.gz MVRRXGZOIZGCRM-KBMIEXCESA-N 1 1 488.080 2.511 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296131756 1064227092 /nfs/dbraw/zinc/22/70/92/1064227092.db2.gz MVRRXGZOIZGCRM-UQBPGWFLSA-N 1 1 488.080 2.511 20 0 JFADMO COCCNC(=O)c1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)cc1Cl ZINC001291721298 1064227803 /nfs/dbraw/zinc/22/78/03/1064227803.db2.gz FUCXUAHUDGABGG-UHFFFAOYSA-N 1 1 450.992 2.777 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001296132005 1064228028 /nfs/dbraw/zinc/22/80/28/1064228028.db2.gz PVHHWNNGXVDBFT-PZJWPPBQSA-N 1 1 475.707 2.913 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296132097 1064228318 /nfs/dbraw/zinc/22/83/18/1064228318.db2.gz QXKCWYGJIZHFTN-KZNAEPCWSA-N 1 1 463.721 2.990 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296132088 1064228410 /nfs/dbraw/zinc/22/84/10/1064228410.db2.gz QXKCWYGJIZHFTN-KURKYZTESA-N 1 1 463.721 2.990 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296132195 1064228708 /nfs/dbraw/zinc/22/87/08/1064228708.db2.gz RRENDOGSKXCBAL-MRXNPFEDSA-N 1 1 492.097 2.683 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132217 1064228847 /nfs/dbraw/zinc/22/88/47/1064228847.db2.gz PSAWOOKZAUQXGK-JPYJTQIMSA-N 1 1 495.594 2.896 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132350 1064229810 /nfs/dbraw/zinc/22/98/10/1064229810.db2.gz SMXPGNKXZKPYRG-NLFFAJNJSA-N 1 1 462.683 2.667 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296132434 1064229836 /nfs/dbraw/zinc/22/98/36/1064229836.db2.gz UDDJICTYQNFPDO-IRLDBZIGSA-N 1 1 455.651 2.541 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133625 1064234496 /nfs/dbraw/zinc/23/44/96/1064234496.db2.gz JXVJOJNIHMPFQH-RBUKOAKNSA-N 1 1 489.615 2.902 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001291754937 1064236974 /nfs/dbraw/zinc/23/69/74/1064236974.db2.gz YMUZNKKBEVGSCZ-OALUTQOASA-N 1 1 474.679 2.584 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001291758713 1064238620 /nfs/dbraw/zinc/23/86/20/1064238620.db2.gz BTYJLIOAUKCBID-QGZVFWFLSA-N 1 1 463.577 2.751 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001291758805 1064238924 /nfs/dbraw/zinc/23/89/24/1064238924.db2.gz BIZTVQIAFMTQIQ-VKJFTORMSA-N 1 1 453.429 2.984 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291759419 1064239344 /nfs/dbraw/zinc/23/93/44/1064239344.db2.gz DYIDNKMNKXETLV-ZRCGQRJVSA-N 1 1 456.635 2.841 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291759657 1064239719 /nfs/dbraw/zinc/23/97/19/1064239719.db2.gz HKLMRMIFYQWSDD-MSOLQXFVSA-N 1 1 488.633 2.758 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296135519 1064240034 /nfs/dbraw/zinc/24/00/34/1064240034.db2.gz ZZJDFMWESQKURN-OAQYLSRUSA-N 1 1 472.682 2.560 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291759871 1064240493 /nfs/dbraw/zinc/24/04/93/1064240493.db2.gz LOMAMUBLJPILIU-ROUUACIJSA-N 1 1 465.643 2.592 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001296136135 1064240972 /nfs/dbraw/zinc/24/09/72/1064240972.db2.gz DIKAOQUHADBSCK-INIZCTEOSA-N 1 1 481.523 2.537 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001291760763 1064241807 /nfs/dbraw/zinc/24/18/07/1064241807.db2.gz NOXIWWDZHSMIEA-QGZVFWFLSA-N 1 1 471.009 2.916 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H]1C ZINC001296136709 1064242159 /nfs/dbraw/zinc/24/21/59/1064242159.db2.gz KJWNYYIWYNVQKZ-HXOBKFHXSA-N 1 1 461.010 2.606 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001296136667 1064242185 /nfs/dbraw/zinc/24/21/85/1064242185.db2.gz KBYQPHCZQVXFNB-GOSISDBHSA-N 1 1 468.581 2.514 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001291760863 1064242332 /nfs/dbraw/zinc/24/23/32/1064242332.db2.gz OGZCCOBQANBVND-BBTUJRGHSA-N 1 1 463.648 2.940 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296137443 1064243266 /nfs/dbraw/zinc/24/32/66/1064243266.db2.gz OQSLYMODFXXJAF-OALUTQOASA-N 1 1 489.665 2.736 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243637 /nfs/dbraw/zinc/24/36/37/1064243637.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 1 1 455.651 2.857 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243642 /nfs/dbraw/zinc/24/36/42/1064243642.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 1 1 455.651 2.857 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001291763448 1064244358 /nfs/dbraw/zinc/24/43/58/1064244358.db2.gz XCPCQZIPMLPILM-GOSISDBHSA-N 1 1 490.052 2.502 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291763377 1064244382 /nfs/dbraw/zinc/24/43/82/1064244382.db2.gz WHZMYIQVWFCFOU-FUHIMQAGSA-N 1 1 494.482 2.923 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291763920 1064244838 /nfs/dbraw/zinc/24/48/38/1064244838.db2.gz YPHNZRGOUCKJLU-PXNSSMCTSA-N 1 1 458.607 2.798 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC001296140930 1064246764 /nfs/dbraw/zinc/24/67/64/1064246764.db2.gz ALDNZVGCBQBRAZ-PMACEKPBSA-N 1 1 453.591 2.767 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 ZINC001291766439 1064248240 /nfs/dbraw/zinc/24/82/40/1064248240.db2.gz DCUAMUIUKMHEBC-SFHVURJKSA-N 1 1 456.591 2.505 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001291766721 1064248476 /nfs/dbraw/zinc/24/84/76/1064248476.db2.gz FULQNFHGNGMZBW-NRFANRHFSA-N 1 1 492.672 2.870 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296142312 1064249016 /nfs/dbraw/zinc/24/90/16/1064249016.db2.gz DDADFWDIWIBTAI-AEFFLSMTSA-N 1 1 464.561 2.947 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767892 1064249869 /nfs/dbraw/zinc/24/98/69/1064249869.db2.gz OWSAJQKNDUVKPV-RTWAWAEBSA-N 1 1 467.662 2.773 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001296142697 1064250410 /nfs/dbraw/zinc/25/04/10/1064250410.db2.gz MDJXMKHBQNAWED-HNNXBMFYSA-N 1 1 487.468 2.781 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296143006 1064251072 /nfs/dbraw/zinc/25/10/72/1064251072.db2.gz OBQNPQYYZFRNHQ-QGZVFWFLSA-N 1 1 475.544 2.968 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296142743 1064251178 /nfs/dbraw/zinc/25/11/78/1064251178.db2.gz MXUXWJPVCVBNKJ-KRWDZBQOSA-N 1 1 465.440 2.816 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cc(F)cc(F)c2)C[C@@H]1C ZINC001296143665 1064253038 /nfs/dbraw/zinc/25/30/38/1064253038.db2.gz IPRMHPGDTNEQLN-INIZCTEOSA-N 1 1 455.513 2.977 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001296143441 1064253055 /nfs/dbraw/zinc/25/30/55/1064253055.db2.gz QEZKRNBALHJVPF-MHECFPHRSA-N 1 1 453.591 2.653 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001291771317 1064253305 /nfs/dbraw/zinc/25/33/05/1064253305.db2.gz IDWKJKCTSSYGTB-QGZVFWFLSA-N 1 1 453.591 2.989 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)coc2C)C[C@H]1C ZINC001296144962 1064254406 /nfs/dbraw/zinc/25/44/06/1064254406.db2.gz BPTIKXRDCGZFTG-GOSISDBHSA-N 1 1 486.642 2.984 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064255013 /nfs/dbraw/zinc/25/50/13/1064255013.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 1 1 468.650 2.968 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064255020 /nfs/dbraw/zinc/25/50/20/1064255020.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 1 1 468.650 2.968 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@H]2COCCO2)C[C@@H]1C ZINC001296145080 1064255071 /nfs/dbraw/zinc/25/50/71/1064255071.db2.gz CXTBWBCBTLZXBU-FUHWJXTLSA-N 1 1 464.408 2.962 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772825 1064256158 /nfs/dbraw/zinc/25/61/58/1064256158.db2.gz CPSVCJITDIZBCS-MSOLQXFVSA-N 1 1 496.628 2.515 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296145889 1064256297 /nfs/dbraw/zinc/25/62/97/1064256297.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 1 1 477.451 2.613 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296145889 1064256312 /nfs/dbraw/zinc/25/63/12/1064256312.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 1 1 477.451 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001296146264 1064256714 /nfs/dbraw/zinc/25/67/14/1064256714.db2.gz JSKIMYQKFLLQJD-KRWDZBQOSA-N 1 1 458.607 2.798 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCOCC2)C[C@H]1C ZINC001296146387 1064257281 /nfs/dbraw/zinc/25/72/81/1064257281.db2.gz OSRKZKXRLFKEPX-QGZVFWFLSA-N 1 1 461.010 2.819 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291773114 1064257836 /nfs/dbraw/zinc/25/78/36/1064257836.db2.gz UUNRADUSTWYHFG-OALUTQOASA-N 1 1 450.591 2.563 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001291773647 1064259387 /nfs/dbraw/zinc/25/93/87/1064259387.db2.gz VEFKXLAMCBTTNQ-LVCYWYKZSA-N 1 1 467.618 2.784 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCc2nccnc2C)C[C@H]1C ZINC001296148293 1064259787 /nfs/dbraw/zinc/25/97/87/1064259787.db2.gz VSZLXZGFQFNKCW-QGZVFWFLSA-N 1 1 483.020 2.733 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC001296148548 1064260257 /nfs/dbraw/zinc/26/02/57/1064260257.db2.gz XSGFMQCRQDQUSR-TZIWHRDSSA-N 1 1 463.586 2.714 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001291773743 1064260267 /nfs/dbraw/zinc/26/02/67/1064260267.db2.gz VXCARMRAEYWIOP-REIDKSKDSA-N 1 1 475.037 2.797 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774050 1064260730 /nfs/dbraw/zinc/26/07/30/1064260730.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291774050 1064260736 /nfs/dbraw/zinc/26/07/36/1064260736.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291774040 1064261357 /nfs/dbraw/zinc/26/13/57/1064261357.db2.gz XANNOOUQGUHSND-MRXNPFEDSA-N 1 1 468.606 2.675 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291774082 1064261698 /nfs/dbraw/zinc/26/16/98/1064261698.db2.gz LFPQNZLULWEAQQ-LJQANCHMSA-N 1 1 485.681 2.533 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001296151133 1064262450 /nfs/dbraw/zinc/26/24/50/1064262450.db2.gz UBAPJLAKBHBBQC-AZUAARDMSA-N 1 1 459.591 2.688 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@H]1CC ZINC001291774986 1064263638 /nfs/dbraw/zinc/26/36/38/1064263638.db2.gz SWHHTVNWZLRWKN-UYAOXDASSA-N 1 1 491.681 2.838 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296153866 1064263725 /nfs/dbraw/zinc/26/37/25/1064263725.db2.gz FMQSEMRRENTZKH-CYBMUJFWSA-N 1 1 471.350 2.619 20 0 JFADMO CCN(CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](CC)[C@H](C)C1)S(C)(=O)=O ZINC001296154076 1064263788 /nfs/dbraw/zinc/26/37/88/1064263788.db2.gz BASBIMUZUIARLD-GOSISDBHSA-N 1 1 473.647 2.628 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 ZINC001291775761 1064264468 /nfs/dbraw/zinc/26/44/68/1064264468.db2.gz ZIKPNQQBTVVMAE-FXAWDEMLSA-N 1 1 464.561 2.908 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC001296154440 1064264879 /nfs/dbraw/zinc/26/48/79/1064264879.db2.gz FLSGLURCUCLIPT-NIYFSFCBSA-N 1 1 481.645 2.910 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291775773 1064265001 /nfs/dbraw/zinc/26/50/01/1064265001.db2.gz ZMFWXRLWPVCTQK-NJNPRVFISA-N 1 1 456.591 2.578 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291777058 1064265879 /nfs/dbraw/zinc/26/58/79/1064265879.db2.gz BMYBAEFHLLGYAH-JOCHJYFZSA-N 1 1 499.679 2.873 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001296155007 1064266587 /nfs/dbraw/zinc/26/65/87/1064266587.db2.gz MCVIPTAUTQLACX-MAUKXSAKSA-N 1 1 466.508 2.749 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@@H]1C ZINC001296154966 1064266610 /nfs/dbraw/zinc/26/66/10/1064266610.db2.gz LTJMWVLCGQUQGL-QFBILLFUSA-N 1 1 480.535 2.887 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001291779294 1064267442 /nfs/dbraw/zinc/26/74/42/1064267442.db2.gz PGCILSSNBOZRRX-WAIKUNEKSA-N 1 1 462.545 2.908 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001291782151 1064270020 /nfs/dbraw/zinc/27/00/20/1064270020.db2.gz LUCCAPZUCDQHAX-UQBPGWFLSA-N 1 1 454.619 2.519 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001291782603 1064272898 /nfs/dbraw/zinc/27/28/98/1064272898.db2.gz QTRKDFAOMXEFKU-SFHVURJKSA-N 1 1 482.658 2.722 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(c2cnn(CC)c2)CC1 ZINC001291782761 1064273438 /nfs/dbraw/zinc/27/34/38/1064273438.db2.gz GLDDQKVSMBCFOK-LJQANCHMSA-N 1 1 456.639 2.731 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001291783238 1064275287 /nfs/dbraw/zinc/27/52/87/1064275287.db2.gz ZBNZXNPDZCIORN-CTNGQTDRSA-N 1 1 454.619 2.613 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001291783384 1064275899 /nfs/dbraw/zinc/27/58/99/1064275899.db2.gz KSWLVRXKWBCNDF-GHTZIAJQSA-N 1 1 497.644 2.941 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276922 /nfs/dbraw/zinc/27/69/22/1064276922.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 1 1 455.651 2.682 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276930 /nfs/dbraw/zinc/27/69/30/1064276930.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 1 1 455.651 2.682 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001291783499 1064277068 /nfs/dbraw/zinc/27/70/68/1064277068.db2.gz NBTJBLWFDKEAIT-MRXNPFEDSA-N 1 1 469.615 2.663 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001296163759 1064279543 /nfs/dbraw/zinc/27/95/43/1064279543.db2.gz YQCXLJAYJNMTNQ-GHTZIAJQSA-N 1 1 461.632 2.696 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784487 1064279655 /nfs/dbraw/zinc/27/96/55/1064279655.db2.gz RWGOQFTYPHFHDC-DVECYGJZSA-N 1 1 491.658 2.611 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001291784971 1064280771 /nfs/dbraw/zinc/28/07/71/1064280771.db2.gz UBEJWKSJHFSOSI-LJQANCHMSA-N 1 1 499.635 2.799 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296163938 1064281518 /nfs/dbraw/zinc/28/15/18/1064281518.db2.gz ZNXQAJDJCSCNAN-PKOBYXMFSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC001291785895 1064281580 /nfs/dbraw/zinc/28/15/80/1064281580.db2.gz YDXQOCSNWRGWIJ-SIKLNZKXSA-N 1 1 469.638 2.664 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001296164659 1064281618 /nfs/dbraw/zinc/28/16/18/1064281618.db2.gz AFIUMEWLLKUJGZ-KRWDZBQOSA-N 1 1 478.688 2.712 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296164733 1064282464 /nfs/dbraw/zinc/28/24/64/1064282464.db2.gz BLZYQDPYELGUQT-NRFANRHFSA-N 1 1 467.618 2.896 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291786273 1064282855 /nfs/dbraw/zinc/28/28/55/1064282855.db2.gz RZXZHKKVYMSLOS-CJFMBICVSA-N 1 1 478.682 2.744 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001296164966 1064284003 /nfs/dbraw/zinc/28/40/03/1064284003.db2.gz GEBQOBAMXYRTIC-UXHICEINSA-N 1 1 470.618 2.655 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001291787307 1064284088 /nfs/dbraw/zinc/28/40/88/1064284088.db2.gz ZGXFYGXDDJKCNK-DPLHUUCSSA-N 1 1 484.645 2.894 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001291787308 1064284630 /nfs/dbraw/zinc/28/46/30/1064284630.db2.gz ZGXFYGXDDJKCNK-HFMPRLQTSA-N 1 1 484.645 2.894 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296165398 1064284793 /nfs/dbraw/zinc/28/47/93/1064284793.db2.gz ISALREGYPKPTAE-YLJYHZDGSA-N 1 1 475.588 2.512 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001296167009 1064288629 /nfs/dbraw/zinc/28/86/29/1064288629.db2.gz PQPRZIQCAJOJSG-IBGZPJMESA-N 1 1 483.617 2.744 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001296166758 1064288663 /nfs/dbraw/zinc/28/86/63/1064288663.db2.gz PLIXHYNZGKTQOC-OAHLLOKOSA-N 1 1 489.422 2.819 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001296166758 1064288673 /nfs/dbraw/zinc/28/86/73/1064288673.db2.gz PLIXHYNZGKTQOC-OAHLLOKOSA-N 1 1 489.422 2.819 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001296166758 1064288681 /nfs/dbraw/zinc/28/86/81/1064288681.db2.gz PLIXHYNZGKTQOC-OAHLLOKOSA-N 1 1 489.422 2.819 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001296172205 1064294198 /nfs/dbraw/zinc/29/41/98/1064294198.db2.gz XRLLHRSVTAFFHH-QGZVFWFLSA-N 1 1 459.664 2.955 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296348 /nfs/dbraw/zinc/29/63/48/1064296348.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 1 1 462.683 2.838 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296173703 1064297069 /nfs/dbraw/zinc/29/70/69/1064297069.db2.gz KMZNOSAGNDGIEN-IBGZPJMESA-N 1 1 477.053 2.888 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298226 /nfs/dbraw/zinc/29/82/26/1064298226.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 1 1 462.683 2.901 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298237 /nfs/dbraw/zinc/29/82/37/1064298237.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 1 1 462.683 2.901 20 0 JFADMO CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CCOC)CC2)c1 ZINC001291795894 1064301539 /nfs/dbraw/zinc/30/15/39/1064301539.db2.gz XSSYKKXDXRYEJT-LJQANCHMSA-N 1 1 465.602 2.618 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001296175052 1064303627 /nfs/dbraw/zinc/30/36/27/1064303627.db2.gz VMKYAAXNWBMHCY-GBESFXJTSA-N 1 1 491.681 2.884 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291796321 1064303588 /nfs/dbraw/zinc/30/35/88/1064303588.db2.gz ZKJFNZICDFALKY-NLWGTHIKSA-N 1 1 491.036 2.897 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291796321 1064303596 /nfs/dbraw/zinc/30/35/96/1064303596.db2.gz ZKJFNZICDFALKY-NLWGTHIKSA-N 1 1 491.036 2.897 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178943 1064307001 /nfs/dbraw/zinc/30/70/01/1064307001.db2.gz CPZWLYCHIKIPQR-RDPSFJRHSA-N 1 1 480.723 2.677 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291797563 1064307021 /nfs/dbraw/zinc/30/70/21/1064307021.db2.gz XUCQXXJQXIQYBX-UNMCSNQZSA-N 1 1 481.645 2.530 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(F)F)C2)CC1 ZINC001296178990 1064307672 /nfs/dbraw/zinc/30/76/72/1064307672.db2.gz CYPYQLNPZQEEAR-IBGZPJMESA-N 1 1 496.628 2.610 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291802629 1064312776 /nfs/dbraw/zinc/31/27/76/1064312776.db2.gz DIANBIDATSLNGI-GBESFXJTSA-N 1 1 486.617 2.524 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291802629 1064312787 /nfs/dbraw/zinc/31/27/87/1064312787.db2.gz DIANBIDATSLNGI-GBESFXJTSA-N 1 1 486.617 2.524 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291802816 1064313158 /nfs/dbraw/zinc/31/31/58/1064313158.db2.gz FQXPCZSYGOJEIP-UXHICEINSA-N 1 1 479.629 2.955 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291802817 1064313210 /nfs/dbraw/zinc/31/32/10/1064313210.db2.gz FQXPCZSYGOJEIP-VQTJNVASSA-N 1 1 479.629 2.955 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C2)CC1 ZINC001296181124 1064313492 /nfs/dbraw/zinc/31/34/92/1064313492.db2.gz VKUHNVGRZLMANQ-QGZVFWFLSA-N 1 1 450.429 2.908 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC001296181962 1064320553 /nfs/dbraw/zinc/32/05/53/1064320553.db2.gz IJKKPEUIOQMTKM-ISKFKSNPSA-N 1 1 481.689 2.992 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC001296181963 1064320640 /nfs/dbraw/zinc/32/06/40/1064320640.db2.gz IJKKPEUIOQMTKM-LADGPHEKSA-N 1 1 481.689 2.992 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(C)cc4)n3CC(C)(C)OC)C2)CC1 ZINC001296181948 1064320719 /nfs/dbraw/zinc/32/07/19/1064320719.db2.gz HZMIRGREUMJHDR-OAQYLSRUSA-N 1 1 456.635 2.807 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)C2)CC1 ZINC001296182260 1064322379 /nfs/dbraw/zinc/32/23/79/1064322379.db2.gz PTAKSEZBIOEHCO-LJQANCHMSA-N 1 1 483.608 2.776 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296182360 1064322500 /nfs/dbraw/zinc/32/25/00/1064322500.db2.gz QSDAIWYBLOLOHC-JYFHCDHNSA-N 1 1 454.663 2.687 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(F)(F)F)C2)CC1 ZINC001296182391 1064323321 /nfs/dbraw/zinc/32/33/21/1064323321.db2.gz RQYSYMMRSHFMJI-SFHVURJKSA-N 1 1 452.525 2.944 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296182880 1064325301 /nfs/dbraw/zinc/32/53/01/1064325301.db2.gz ALKAOAQHQOCAHV-CVDCTZTESA-N 1 1 488.080 2.977 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296182992 1064326214 /nfs/dbraw/zinc/32/62/14/1064326214.db2.gz XJQHYVHXWYFYFU-REWPJTCUSA-N 1 1 470.662 2.973 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001291806043 1064326564 /nfs/dbraw/zinc/32/65/64/1064326564.db2.gz YRFAFVDLSVZWDT-BZSNNMDCSA-N 1 1 456.591 2.898 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296184993 1064333128 /nfs/dbraw/zinc/33/31/28/1064333128.db2.gz NDANNLZCMZZUGZ-QFIPXVFZSA-N 1 1 497.688 2.532 20 0 JFADMO CC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001296188623 1064335528 /nfs/dbraw/zinc/33/55/28/1064335528.db2.gz NAHDLBIOSCBOCU-JOCHJYFZSA-N 1 1 457.596 2.681 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291811836 1064338387 /nfs/dbraw/zinc/33/83/87/1064338387.db2.gz NOOBXHRKHCKULC-UUOWRZLLSA-N 1 1 458.582 2.690 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190752 1064340390 /nfs/dbraw/zinc/34/03/90/1064340390.db2.gz FFKXBJODWLHZJK-YYDVJCTNSA-N 1 1 476.616 2.628 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191622 1064342649 /nfs/dbraw/zinc/34/26/49/1064342649.db2.gz KRIVFLUPDOMLOD-NRFANRHFSA-N 1 1 488.750 2.837 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191606 1064342671 /nfs/dbraw/zinc/34/26/71/1064342671.db2.gz KEBKARGLMFEBNW-FQEVSTJZSA-N 1 1 464.699 2.976 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291814985 1064343337 /nfs/dbraw/zinc/34/33/37/1064343337.db2.gz BDQXSWYCRJPCJL-JOCHJYFZSA-N 1 1 492.672 2.928 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296192315 1064344615 /nfs/dbraw/zinc/34/46/15/1064344615.db2.gz FCMZGDLVUFQSJL-RBBKRZOGSA-N 1 1 467.662 2.619 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192375 1064345440 /nfs/dbraw/zinc/34/54/40/1064345440.db2.gz DMYJLHJFARBBEM-GOSISDBHSA-N 1 1 471.679 2.506 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296192347 1064345506 /nfs/dbraw/zinc/34/55/06/1064345506.db2.gz FHHAVSGOTKPFAY-FQEVSTJZSA-N 1 1 478.645 2.962 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296192529 1064345992 /nfs/dbraw/zinc/34/59/92/1064345992.db2.gz FVYWOMRLGYJBQU-NBGIEHNGSA-N 1 1 455.651 2.927 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296192525 1064346027 /nfs/dbraw/zinc/34/60/27/1064346027.db2.gz FVYWOMRLGYJBQU-CPJSRVTESA-N 1 1 455.651 2.927 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192769 1064346741 /nfs/dbraw/zinc/34/67/41/1064346741.db2.gz NQPJNKRVJXPNBR-RBBKRZOGSA-N 1 1 456.635 2.701 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)CC1 ZINC001296192655 1064346773 /nfs/dbraw/zinc/34/67/73/1064346773.db2.gz GGALNXXMKLUGHL-NRFANRHFSA-N 1 1 497.688 2.517 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001296192601 1064346891 /nfs/dbraw/zinc/34/68/91/1064346891.db2.gz GBXDAKBTFWHIIS-RBBKRZOGSA-N 1 1 485.652 2.662 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193180 1064348813 /nfs/dbraw/zinc/34/88/13/1064348813.db2.gz HVOVGNZPDRLRSU-FGZHOGPDSA-N 1 1 475.726 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296193397 1064350220 /nfs/dbraw/zinc/35/02/20/1064350220.db2.gz IRPCQWARIXARDH-NLWGTHIKSA-N 1 1 481.567 2.770 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193705 1064351113 /nfs/dbraw/zinc/35/11/13/1064351113.db2.gz PEGUDNNKFUMLNZ-IFMALSPDSA-N 1 1 489.709 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296194128 1064354509 /nfs/dbraw/zinc/35/45/09/1064354509.db2.gz LSYWRIARCCTCLM-RBBKRZOGSA-N 1 1 486.661 2.851 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194373 1064355369 /nfs/dbraw/zinc/35/53/69/1064355369.db2.gz RORSAPRWGQUEJT-DEOSSOPVSA-N 1 1 495.716 2.642 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194438 1064356002 /nfs/dbraw/zinc/35/60/02/1064356002.db2.gz SKIKHCXBMABKOY-ICSRJNTNSA-N 1 1 461.680 2.847 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296194765 1064357507 /nfs/dbraw/zinc/35/75/07/1064357507.db2.gz FSAUJMKTVJNZSJ-IEBWSBKVSA-N 1 1 469.556 2.847 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296194763 1064357628 /nfs/dbraw/zinc/35/76/28/1064357628.db2.gz FSAUJMKTVJNZSJ-HKUYNNGSSA-N 1 1 469.556 2.847 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195365 1064361125 /nfs/dbraw/zinc/36/11/25/1064361125.db2.gz IJFXODDDAHURCG-LJQANCHMSA-N 1 1 468.572 2.875 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195657 1064362473 /nfs/dbraw/zinc/36/24/73/1064362473.db2.gz WXOUFXQWNGEUDP-QRVBRYPASA-N 1 1 461.680 2.521 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195733 1064363301 /nfs/dbraw/zinc/36/33/01/1064363301.db2.gz QXKMZDZMRPVQGG-QZTJIDSGSA-N 1 1 466.556 2.787 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195734 1064363524 /nfs/dbraw/zinc/36/35/24/1064363524.db2.gz QXKMZDZMRPVQGG-ROUUACIJSA-N 1 1 466.556 2.787 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC001296196381 1064366323 /nfs/dbraw/zinc/36/63/23/1064366323.db2.gz SLNFNKNGYXCEHN-XMMPIXPASA-N 1 1 497.688 2.720 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296196605 1064367896 /nfs/dbraw/zinc/36/78/96/1064367896.db2.gz VIMTWWMSTMTGIO-GOSISDBHSA-N 1 1 489.606 2.842 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296197000 1064371847 /nfs/dbraw/zinc/37/18/47/1064371847.db2.gz WPMCWIFZCMVKQF-NFBKMPQASA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296197001 1064372065 /nfs/dbraw/zinc/37/20/65/1064372065.db2.gz WPMCWIFZCMVKQF-NZQKXSOJSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(C)(OC)C2)CC1 ZINC001296197069 1064372727 /nfs/dbraw/zinc/37/27/27/1064372727.db2.gz SKURVORWVFTIID-UHFFFAOYSA-N 1 1 480.455 2.679 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296197491 1064374607 /nfs/dbraw/zinc/37/46/07/1064374607.db2.gz XQONCRLQCZDGQW-UHFFFAOYSA-N 1 1 485.677 2.959 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291826555 1064375178 /nfs/dbraw/zinc/37/51/78/1064375178.db2.gz IRRYNJZLXQBIBF-UQBPGWFLSA-N 1 1 488.608 2.602 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296202219 1064377167 /nfs/dbraw/zinc/37/71/67/1064377167.db2.gz GLDBLYJJSVZZCR-FQEVSTJZSA-N 1 1 460.598 2.639 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296202128 1064377194 /nfs/dbraw/zinc/37/71/94/1064377194.db2.gz FBEPQIJWWVPBSG-OAQYLSRUSA-N 1 1 482.739 2.688 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC001296202223 1064377754 /nfs/dbraw/zinc/37/77/54/1064377754.db2.gz BHOFXOYAEMNPJG-SFHVURJKSA-N 1 1 454.545 2.671 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202984 1064379849 /nfs/dbraw/zinc/37/98/49/1064379849.db2.gz JVTVYWDRTXRUMI-UHFFFAOYSA-N 1 1 488.080 2.609 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296203645 1064382057 /nfs/dbraw/zinc/38/20/57/1064382057.db2.gz MOLGDVYZVDZBBC-CMOCDZPBSA-N 1 1 480.723 2.750 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)CC1 ZINC001296203550 1064382240 /nfs/dbraw/zinc/38/22/40/1064382240.db2.gz BAIDIKCQNMNRHR-UHFFFAOYSA-N 1 1 462.440 2.800 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203840 1064383495 /nfs/dbraw/zinc/38/34/95/1064383495.db2.gz PUZIXHZKBKYSNQ-NRFANRHFSA-N 1 1 475.588 2.562 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296204057 1064384932 /nfs/dbraw/zinc/38/49/32/1064384932.db2.gz QJODVSQUXLWRSS-CYFREDJKSA-N 1 1 461.655 2.533 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001291829512 1064387021 /nfs/dbraw/zinc/38/70/21/1064387021.db2.gz NEOZEDYNYJUTNE-FQEVSTJZSA-N 1 1 461.699 2.734 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001296204831 1064387881 /nfs/dbraw/zinc/38/78/81/1064387881.db2.gz MENGHEMJXIZENF-UHFFFAOYSA-N 1 1 452.582 2.581 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC001296205026 1064388746 /nfs/dbraw/zinc/38/87/46/1064388746.db2.gz QUPHCMDYVCYLPG-BKSPAHHJSA-N 1 1 462.683 2.667 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccsc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001296205152 1064389576 /nfs/dbraw/zinc/38/95/76/1064389576.db2.gz XSHRPWCOUYGEPP-UHFFFAOYSA-N 1 1 487.718 2.795 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296205279 1064390115 /nfs/dbraw/zinc/39/01/15/1064390115.db2.gz ROOXYZCIEDIZRU-UHFFFAOYSA-N 1 1 455.651 2.929 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205568 1064392057 /nfs/dbraw/zinc/39/20/57/1064392057.db2.gz WPAAZGRLZPGGLA-WIYYLYMNSA-N 1 1 457.598 2.593 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001296206308 1064394734 /nfs/dbraw/zinc/39/47/34/1064394734.db2.gz NBEPLWNVFVCWOS-JOCHJYFZSA-N 1 1 481.689 2.972 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832087 1064395088 /nfs/dbraw/zinc/39/50/88/1064395088.db2.gz FVYFXUSGQLWIBW-YADHBBJMSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296206372 1064395339 /nfs/dbraw/zinc/39/53/39/1064395339.db2.gz OUSWXDDIJDDYAS-UHFFFAOYSA-N 1 1 476.025 2.515 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296207606 1064398811 /nfs/dbraw/zinc/39/88/11/1064398811.db2.gz ZHLFAYFJRAPQAF-HXUWFJFHSA-N 1 1 472.634 2.605 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCCN(c3ncccc3F)CC2)CC1 ZINC001296210062 1064400201 /nfs/dbraw/zinc/40/02/01/1064400201.db2.gz CXULTHYJVJGUIY-UHFFFAOYSA-N 1 1 472.657 2.755 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3F)CC2)CC1 ZINC001296211701 1064402621 /nfs/dbraw/zinc/40/26/21/1064402621.db2.gz ONZWAVYUOOENSX-UHFFFAOYSA-N 1 1 472.657 2.755 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC001296212380 1064403554 /nfs/dbraw/zinc/40/35/54/1064403554.db2.gz XQTLHZKHZHDYRY-FQEVSTJZSA-N 1 1 458.655 2.970 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296212394 1064403789 /nfs/dbraw/zinc/40/37/89/1064403789.db2.gz YBHVNOVLAITKGP-OAQYLSRUSA-N 1 1 456.635 2.520 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001296212290 1064403809 /nfs/dbraw/zinc/40/38/09/1064403809.db2.gz WNRIPQBAQTYXNI-UHFFFAOYSA-N 1 1 468.625 2.943 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296216049 1064421678 /nfs/dbraw/zinc/42/16/78/1064421678.db2.gz YYZQTEHYHCNGPM-FQEVSTJZSA-N 1 1 463.026 2.763 20 0 JFADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001296216056 1064422366 /nfs/dbraw/zinc/42/23/66/1064422366.db2.gz ZGCNZQOPLTZXBD-SFHVURJKSA-N 1 1 494.644 2.510 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296216563 1064424370 /nfs/dbraw/zinc/42/43/70/1064424370.db2.gz PNIUPMJGVUROGZ-HDICACEKSA-N 1 1 485.658 2.583 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001291839807 1064434671 /nfs/dbraw/zinc/43/46/71/1064434671.db2.gz KCGDQXYQQPILBW-LJQANCHMSA-N 1 1 499.063 2.764 20 0 JFADMO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291839866 1064434947 /nfs/dbraw/zinc/43/49/47/1064434947.db2.gz NTDZUXDZRHLELQ-SHZLTDHESA-N 1 1 468.646 2.770 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291839997 1064435848 /nfs/dbraw/zinc/43/58/48/1064435848.db2.gz OQLFCVHHCOBCGQ-FDFHNCONSA-N 1 1 489.709 2.677 20 0 JFADMO CCn1nc(-c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296221068 1064437354 /nfs/dbraw/zinc/43/73/54/1064437354.db2.gz DAQNNTSWCCNTGM-UHFFFAOYSA-N 1 1 480.661 2.936 20 0 JFADMO CCn1nc(-c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296221068 1064437362 /nfs/dbraw/zinc/43/73/62/1064437362.db2.gz DAQNNTSWCCNTGM-UHFFFAOYSA-N 1 1 480.661 2.936 20 0 JFADMO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291843624 1064449940 /nfs/dbraw/zinc/44/99/40/1064449940.db2.gz CKOJVYUEPPTFLJ-UNMCSNQZSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001291853685 1064460575 /nfs/dbraw/zinc/46/05/75/1064460575.db2.gz WEOJYRWEJDCQHL-FUPPJEDESA-N 1 1 498.672 2.648 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001291853685 1064460576 /nfs/dbraw/zinc/46/05/76/1064460576.db2.gz WEOJYRWEJDCQHL-FUPPJEDESA-N 1 1 498.672 2.648 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001296230836 1064464858 /nfs/dbraw/zinc/46/48/58/1064464858.db2.gz BWLMEEGECLBIPI-UGKGYDQZSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859014 1064467808 /nfs/dbraw/zinc/46/78/08/1064467808.db2.gz DUTJDKAYBCOUCH-ILWGZMRPSA-N 1 1 475.659 2.554 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859013 1064467864 /nfs/dbraw/zinc/46/78/64/1064467864.db2.gz DUTJDKAYBCOUCH-CEMLEFRQSA-N 1 1 475.659 2.554 20 0 JFADMO CC[C@@H](c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291859372 1064468408 /nfs/dbraw/zinc/46/84/08/1064468408.db2.gz YRONIIJVQFMUAT-YMPZKCBVSA-N 1 1 468.646 2.844 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291859921 1064469557 /nfs/dbraw/zinc/46/95/57/1064469557.db2.gz JGXXTXQJSGAHMR-NRSPTQNISA-N 1 1 490.599 2.748 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291859964 1064469910 /nfs/dbraw/zinc/46/99/10/1064469910.db2.gz JOQBNMDQYVOALG-YMPZKCBVSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291862175 1064471619 /nfs/dbraw/zinc/47/16/19/1064471619.db2.gz IPKRSGIMTJAVSU-DHIUTWEWSA-N 1 1 468.646 2.629 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291862897 1064474299 /nfs/dbraw/zinc/47/42/99/1064474299.db2.gz MVRYBJSDBUPRAQ-UFPGJGBJSA-N 1 1 468.646 2.879 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296241584 1064497599 /nfs/dbraw/zinc/49/75/99/1064497599.db2.gz RJHRLVDLGRDCPC-QZTJIDSGSA-N 1 1 460.648 2.889 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC001291882637 1064504890 /nfs/dbraw/zinc/50/48/90/1064504890.db2.gz VJOQEDIAGCUMAY-RPWUZVMVSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291887944 1064510204 /nfs/dbraw/zinc/51/02/04/1064510204.db2.gz LJEUOCFPGBSCOV-PUHATCMVSA-N 1 1 467.662 2.548 20 0 JFADMO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291888351 1064511536 /nfs/dbraw/zinc/51/15/36/1064511536.db2.gz RRJYKTZJQKJGEZ-RPWUZVMVSA-N 1 1 468.646 2.725 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1COCCO1)c1ccccc1 ZINC001291888495 1064512063 /nfs/dbraw/zinc/51/20/63/1064512063.db2.gz NWDVIBISVYZWCF-ZEQRLZLVSA-N 1 1 498.672 2.616 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@H]1COCCO1)c1ccccc1 ZINC001291888495 1064512070 /nfs/dbraw/zinc/51/20/70/1064512070.db2.gz NWDVIBISVYZWCF-ZEQRLZLVSA-N 1 1 498.672 2.616 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001296250283 1064513015 /nfs/dbraw/zinc/51/30/15/1064513015.db2.gz VNCMKLKFWCTTMU-IBGZPJMESA-N 1 1 470.618 2.703 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291889225 1064514161 /nfs/dbraw/zinc/51/41/61/1064514161.db2.gz ZXNXGECHGXRWIU-RCZVLFRGSA-N 1 1 481.689 2.762 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(N2CCC[N@@H+](Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001296252211 1064515916 /nfs/dbraw/zinc/51/59/16/1064515916.db2.gz YOGUZASTYKRPMR-MHZLTWQESA-N 1 1 498.672 2.805 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892511 1064518968 /nfs/dbraw/zinc/51/89/68/1064518968.db2.gz GCBRNVCUWKSCBB-GHTZIAJQSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892511 1064518987 /nfs/dbraw/zinc/51/89/87/1064518987.db2.gz GCBRNVCUWKSCBB-GHTZIAJQSA-N 1 1 452.607 2.646 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CCc1nc(C)n[nH]1)c1ccccc1 ZINC001291892511 1064519005 /nfs/dbraw/zinc/51/90/05/1064519005.db2.gz GCBRNVCUWKSCBB-GHTZIAJQSA-N 1 1 452.607 2.646 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC001296257286 1064522571 /nfs/dbraw/zinc/52/25/71/1064522571.db2.gz KCPDTPOAYJZABG-UHFFFAOYSA-N 1 1 455.939 2.508 20 0 JFADMO COc1ccc(CN2C[C@@H](C(=O)Nc3cccc4c3CC[N@@H+](CC(C)(C)O)C4)CC2=O)cc1 ZINC001296258378 1064523979 /nfs/dbraw/zinc/52/39/79/1064523979.db2.gz QOXNFNHJCCMPNG-FQEVSTJZSA-N 1 1 451.567 2.811 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291895137 1064525897 /nfs/dbraw/zinc/52/58/97/1064525897.db2.gz SOYMZCVWDVEHNX-HSZRJFAPSA-N 1 1 489.686 2.803 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895908 1064527638 /nfs/dbraw/zinc/52/76/38/1064527638.db2.gz ZKNXOLDYYPRKOG-MJGOQNOKSA-N 1 1 482.551 2.655 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001291897039 1064528216 /nfs/dbraw/zinc/52/82/16/1064528216.db2.gz AFDUEPJPWBULKH-DNVJHFABSA-N 1 1 454.619 2.646 20 0 JFADMO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)CCC1 ZINC001296262814 1064528903 /nfs/dbraw/zinc/52/89/03/1064528903.db2.gz CJPGIJLSTSFJBQ-PMACEKPBSA-N 1 1 460.667 2.720 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901681 1064532369 /nfs/dbraw/zinc/53/23/69/1064532369.db2.gz MSRIPNNUICJNKZ-FCHUYYIVSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@H](COC)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901681 1064532387 /nfs/dbraw/zinc/53/23/87/1064532387.db2.gz MSRIPNNUICJNKZ-FCHUYYIVSA-N 1 1 457.619 2.782 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001296267400 1064533851 /nfs/dbraw/zinc/53/38/51/1064533851.db2.gz JPKVYERCIFUVOO-HXUWFJFHSA-N 1 1 454.548 2.750 20 0 JFADMO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291904331 1064534708 /nfs/dbraw/zinc/53/47/08/1064534708.db2.gz ORBIHTTWZUERLB-PSWRPDDJSA-N 1 1 455.603 2.665 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904469 1064535239 /nfs/dbraw/zinc/53/52/39/1064535239.db2.gz PRMZDBDXYXLHRG-AZOUXBGGSA-N 1 1 482.673 2.970 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001291933866 1064553266 /nfs/dbraw/zinc/55/32/66/1064553266.db2.gz JVBPADYSJPHGFH-YLJYHZDGSA-N 1 1 462.664 2.996 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC001296283100 1064554788 /nfs/dbraw/zinc/55/47/88/1064554788.db2.gz UCGLXDZTDPZPCR-KNQAVFIVSA-N 1 1 468.646 2.822 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940746 1064556403 /nfs/dbraw/zinc/55/64/03/1064556403.db2.gz ISFJGDQUFPALJU-KSEOMHKRSA-N 1 1 476.666 2.714 20 0 JFADMO CCC(CC)(Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291941613 1064557865 /nfs/dbraw/zinc/55/78/65/1064557865.db2.gz TZFLHEHPEKXMNP-STWLZBDKSA-N 1 1 479.666 2.681 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291953789 1064566566 /nfs/dbraw/zinc/56/65/66/1064566566.db2.gz QWBSLLHMFFNRRF-ZVDOUQERSA-N 1 1 478.707 2.981 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCOCC1 ZINC001291953783 1064566698 /nfs/dbraw/zinc/56/66/98/1064566698.db2.gz QWBSLLHMFFNRRF-SBHAEUEKSA-N 1 1 478.707 2.981 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001291954601 1064568345 /nfs/dbraw/zinc/56/83/45/1064568345.db2.gz VQTMLFJBPAXHEI-LEWJYISDSA-N 1 1 468.650 2.966 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCCC[C@H]2C1)[NH+](C)C ZINC001291954609 1064568386 /nfs/dbraw/zinc/56/83/86/1064568386.db2.gz VQTMLFJBPAXHEI-SFTDATJTSA-N 1 1 468.650 2.966 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291954935 1064569272 /nfs/dbraw/zinc/56/92/72/1064569272.db2.gz WGZDKPIBHCPZFB-VXKWHMMOSA-N 1 1 490.693 2.902 20 0 JFADMO CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001291956314 1064571805 /nfs/dbraw/zinc/57/18/05/1064571805.db2.gz QWNYOGOAIYGJEV-XZOQPEGZSA-N 1 1 485.677 2.868 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001296303080 1064583340 /nfs/dbraw/zinc/58/33/40/1064583340.db2.gz ZBFSKGVGPSQDKA-OALUTQOASA-N 1 1 473.597 2.893 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001296312297 1064592601 /nfs/dbraw/zinc/59/26/01/1064592601.db2.gz XMDVEEOSDUWWNX-IBGZPJMESA-N 1 1 455.607 2.680 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296316385 1064597016 /nfs/dbraw/zinc/59/70/16/1064597016.db2.gz WTAGHZHWFDYTJF-IFMALSPDSA-N 1 1 453.635 2.993 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001296316488 1064597448 /nfs/dbraw/zinc/59/74/48/1064597448.db2.gz YNBZHHWKKNAMKU-QGZVFWFLSA-N 1 1 463.577 2.729 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001291993785 1064609719 /nfs/dbraw/zinc/60/97/19/1064609719.db2.gz LEGZPBZTVWTQDB-SFHVURJKSA-N 1 1 467.622 2.957 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001296330102 1064629258 /nfs/dbraw/zinc/62/92/58/1064629258.db2.gz PAUWEBFAKSBXCV-HXUWFJFHSA-N 1 1 481.066 2.991 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001292013868 1064642889 /nfs/dbraw/zinc/64/28/89/1064642889.db2.gz NYAPIXLIPCDOGK-KSEOMHKRSA-N 1 1 487.693 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001292013867 1064642950 /nfs/dbraw/zinc/64/29/50/1064642950.db2.gz NYAPIXLIPCDOGK-FCEUIQTBSA-N 1 1 487.693 2.956 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCn1cc[nH+]c1C ZINC001292015164 1064644324 /nfs/dbraw/zinc/64/43/24/1064644324.db2.gz WGGLTFUSCCAQKN-XMMPIXPASA-N 1 1 473.622 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001292015865 1064647643 /nfs/dbraw/zinc/64/76/43/1064647643.db2.gz BDDWMCADRIBHPB-NVXWUHKLSA-N 1 1 474.572 2.942 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCc1ccccc1 ZINC001292018349 1064654064 /nfs/dbraw/zinc/65/40/64/1064654064.db2.gz QSRASLCMCSPUIV-REWPJTCUSA-N 1 1 468.646 2.986 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292020663 1064660542 /nfs/dbraw/zinc/66/05/42/1064660542.db2.gz HGJVXBAFRYBXRP-JTJHWIPRSA-N 1 1 464.655 2.700 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292024741 1064674060 /nfs/dbraw/zinc/67/40/60/1064674060.db2.gz SZEJFHJXAUUXTK-FQRUVTKNSA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(C)cc1OC ZINC001292041685 1064706873 /nfs/dbraw/zinc/70/68/73/1064706873.db2.gz OHARNIVYSXPLGW-AREMUKBSSA-N 1 1 484.645 2.863 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001292049647 1064714581 /nfs/dbraw/zinc/71/45/81/1064714581.db2.gz OBCYGPVPOMYAHF-GOSISDBHSA-N 1 1 456.639 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001292051355 1064716237 /nfs/dbraw/zinc/71/62/37/1064716237.db2.gz XGBVOKLEYARVPM-CLOONOSVSA-N 1 1 454.619 2.565 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(OC)c(F)c1 ZINC001292054769 1064721414 /nfs/dbraw/zinc/72/14/14/1064721414.db2.gz IZBAEYBQPTWCFK-LJQANCHMSA-N 1 1 488.608 2.551 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1(C)CCCS1 ZINC001292055083 1064723085 /nfs/dbraw/zinc/72/30/85/1064723085.db2.gz MUDPESXFXOQNBY-JPYJTQIMSA-N 1 1 464.680 2.641 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCC(F)(F)F ZINC001292055143 1064723495 /nfs/dbraw/zinc/72/34/95/1064723495.db2.gz OGAWXKXGBSFIPD-MRXNPFEDSA-N 1 1 460.545 2.698 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cc(C)no1 ZINC001292055795 1064724901 /nfs/dbraw/zinc/72/49/01/1064724901.db2.gz OBSRGRWUPKZOCC-KDURUIRLSA-N 1 1 487.649 2.867 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292066916 1064744920 /nfs/dbraw/zinc/74/49/20/1064744920.db2.gz WDNNGFVTIVNWEE-LJQANCHMSA-N 1 1 496.722 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292076185 1064757134 /nfs/dbraw/zinc/75/71/34/1064757134.db2.gz LWKYKLNSGIDEFP-RRQZXNHTSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078152 1064760369 /nfs/dbraw/zinc/76/03/69/1064760369.db2.gz CMEQTIBBSVBKLT-GHTZIAJQSA-N 1 1 487.693 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292081880 1064764388 /nfs/dbraw/zinc/76/43/88/1064764388.db2.gz BWBDWCHABCUOOL-GOSISDBHSA-N 1 1 462.639 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292084888 1064766646 /nfs/dbraw/zinc/76/66/46/1064766646.db2.gz JPEDMOKZLCACFJ-UGKGYDQZSA-N 1 1 495.672 2.606 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001292084976 1064767414 /nfs/dbraw/zinc/76/74/14/1064767414.db2.gz LHKBZJXQJDKCAB-TZIWHRDSSA-N 1 1 499.660 2.979 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001292089481 1064773940 /nfs/dbraw/zinc/77/39/40/1064773940.db2.gz KPUJQFSYTNNJEF-ICSRJNTNSA-N 1 1 498.676 2.787 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(C(=O)NCC[N@@H+]2CCc3sccc3C2)(n2cccn2)CC1 ZINC001292093720 1064782805 /nfs/dbraw/zinc/78/28/05/1064782805.db2.gz ANDNTUZNETWAAB-UHFFFAOYSA-N 1 1 459.616 2.845 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(C(=O)NCC[N@H+]2CCc3sccc3C2)(n2cccn2)CC1 ZINC001292093720 1064782820 /nfs/dbraw/zinc/78/28/20/1064782820.db2.gz ANDNTUZNETWAAB-UHFFFAOYSA-N 1 1 459.616 2.845 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cc3noc(C)n3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292095405 1064787200 /nfs/dbraw/zinc/78/72/00/1064787200.db2.gz XQNFXDABUDZVIF-MJGOQNOKSA-N 1 1 472.638 2.831 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1Cc1ccn(C)n1 ZINC001292105772 1064800542 /nfs/dbraw/zinc/80/05/42/1064800542.db2.gz ONNZZQQTNGUNOZ-UHFFFAOYSA-N 1 1 482.608 2.830 20 0 JFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108511 1064805659 /nfs/dbraw/zinc/80/56/59/1064805659.db2.gz HJIUJDOKUANYCL-HMXCVIKNSA-N 1 1 458.603 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001292109700 1064808240 /nfs/dbraw/zinc/80/82/40/1064808240.db2.gz JOWSMHYLUVTRPF-IRLDBZIGSA-N 1 1 498.672 2.847 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCC1CCCC1 ZINC001292110222 1064811482 /nfs/dbraw/zinc/81/14/82/1064811482.db2.gz FZCJNXFQQKZSGP-JOCHJYFZSA-N 1 1 487.693 2.910 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001292110538 1064814357 /nfs/dbraw/zinc/81/43/57/1064814357.db2.gz KGKTZCLZYDMBAG-LJQANCHMSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292110870 1064817590 /nfs/dbraw/zinc/81/75/90/1064817590.db2.gz OCVGFBJHNKSRBE-QFIPXVFZSA-N 1 1 499.635 2.782 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292121573 1064850308 /nfs/dbraw/zinc/85/03/08/1064850308.db2.gz AJTICSVMACOQNV-FQEVSTJZSA-N 1 1 497.692 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292121574 1064850346 /nfs/dbraw/zinc/85/03/46/1064850346.db2.gz AJTICSVMACOQNV-HXUWFJFHSA-N 1 1 497.692 2.824 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292122790 1064859352 /nfs/dbraw/zinc/85/93/52/1064859352.db2.gz WZBSUYQVVCMQEF-SFHVURJKSA-N 1 1 474.679 2.772 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC(=O)NC1CCCCC1 ZINC001292123549 1064862356 /nfs/dbraw/zinc/86/23/56/1064862356.db2.gz GHBAQWOKYOSKEE-GOSISDBHSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCc1ccc2c(c1)OCCO2 ZINC001292124087 1064864575 /nfs/dbraw/zinc/86/45/75/1064864575.db2.gz KVJFLDLFSXVOBL-GOSISDBHSA-N 1 1 470.618 2.741 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCOC1 ZINC001292124703 1064866620 /nfs/dbraw/zinc/86/66/20/1064866620.db2.gz OSSVOWBPDVTXMN-TZIWHRDSSA-N 1 1 454.619 2.944 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292125759 1064871697 /nfs/dbraw/zinc/87/16/97/1064871697.db2.gz LMLNPHWUIHSJQT-VQTJNVASSA-N 1 1 475.682 2.622 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1ccsc1 ZINC001292126119 1064873807 /nfs/dbraw/zinc/87/38/07/1064873807.db2.gz HJWSJWCRJFTJOU-FQEVSTJZSA-N 1 1 460.648 2.802 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCOC)CC2)n1C[C@H]1CCOc2ccccc21 ZINC001292126162 1064874336 /nfs/dbraw/zinc/87/43/36/1064874336.db2.gz IXQVHHJIOSEKJF-LJQANCHMSA-N 1 1 470.618 2.531 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001292135404 1064899679 /nfs/dbraw/zinc/89/96/79/1064899679.db2.gz JZNUNIINBQSRLO-HSZRJFAPSA-N 1 1 466.696 2.887 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292145952 1064922360 /nfs/dbraw/zinc/92/23/60/1064922360.db2.gz YODBNAGGFKCIDY-MJGOQNOKSA-N 1 1 475.663 2.881 20 0 JFADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@H](C)O1 ZINC001292149042 1064927224 /nfs/dbraw/zinc/92/72/24/1064927224.db2.gz OQHYFUGLFWHTDD-HLLBOEOZSA-N 1 1 458.340 2.770 20 0 JFADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)COc2cccc(I)c2)C[C@H](C)O1 ZINC001292149042 1064927243 /nfs/dbraw/zinc/92/72/43/1064927243.db2.gz OQHYFUGLFWHTDD-HLLBOEOZSA-N 1 1 458.340 2.770 20 0 JFADMO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292163727 1064949493 /nfs/dbraw/zinc/94/94/93/1064949493.db2.gz NTZDRIVRGMZORS-LEWJYISDSA-N 1 1 488.658 2.645 20 0 JFADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170364 1064955967 /nfs/dbraw/zinc/95/59/67/1064955967.db2.gz CELKNNAWRJZEIJ-AZUAARDMSA-N 1 1 496.653 2.806 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173588 1064962056 /nfs/dbraw/zinc/96/20/56/1064962056.db2.gz NNDWZFRLVYKJOE-DBXWQHBBSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208058 1064996340 /nfs/dbraw/zinc/99/63/40/1064996340.db2.gz AXDZAZILXLAVOW-GGAORHGYSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccccc1 ZINC001292208058 1064996348 /nfs/dbraw/zinc/99/63/48/1064996348.db2.gz AXDZAZILXLAVOW-GGAORHGYSA-N 1 1 495.672 2.804 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292218869 1065005541 /nfs/dbraw/zinc/00/55/41/1065005541.db2.gz JVRFWHCYFAJMHP-AJSBUHFISA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292218869 1065005555 /nfs/dbraw/zinc/00/55/55/1065005555.db2.gz JVRFWHCYFAJMHP-AJSBUHFISA-N 1 1 489.686 2.878 20 0 JFADMO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001292232062 1065018806 /nfs/dbraw/zinc/01/88/06/1065018806.db2.gz YFPQQPFQLVQTNB-DEOSSOPVSA-N 1 1 495.716 2.914 20 0 JFADMO CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001292242280 1065024749 /nfs/dbraw/zinc/02/47/49/1065024749.db2.gz TUHIOYWHLIUVRX-SXLOBPIMSA-N 1 1 462.639 2.691 20 0 JFADMO CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292242279 1065024971 /nfs/dbraw/zinc/02/49/71/1065024971.db2.gz TUHIOYWHLIUVRX-RLLQIKCJSA-N 1 1 462.639 2.691 20 0 JFADMO CC[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001292243255 1065026174 /nfs/dbraw/zinc/02/61/74/1065026174.db2.gz QNQGDEDXMHVZNM-XMMPIXPASA-N 1 1 469.678 2.598 20 0 JFADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292271699 1065049227 /nfs/dbraw/zinc/04/92/27/1065049227.db2.gz ABXJPSRSTZVGSB-QFIPXVFZSA-N 1 1 452.599 2.632 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292273849 1065051523 /nfs/dbraw/zinc/05/15/23/1065051523.db2.gz BXLRDMIIXGOLPU-UHFFFAOYSA-N 1 1 473.618 2.814 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292273849 1065051536 /nfs/dbraw/zinc/05/15/36/1065051536.db2.gz BXLRDMIIXGOLPU-UHFFFAOYSA-N 1 1 473.618 2.814 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292275709 1065052352 /nfs/dbraw/zinc/05/23/52/1065052352.db2.gz UYTKTIFDKPHVCZ-OAQYLSRUSA-N 1 1 474.650 2.629 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001292288448 1065060673 /nfs/dbraw/zinc/06/06/73/1065060673.db2.gz DBOVUQOTLSGFCR-QGZVFWFLSA-N 1 1 462.664 2.874 20 0 JFADMO CCC(O)(CC)Cn1c(CCOc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001292289238 1065061179 /nfs/dbraw/zinc/06/11/79/1065061179.db2.gz KUSJYMHZHJDLCC-RBBKRZOGSA-N 1 1 457.619 2.608 20 0 JFADMO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289769 1065061685 /nfs/dbraw/zinc/06/16/85/1065061685.db2.gz OLBRBRKYTWNIKT-RDGATRHJSA-N 1 1 496.700 2.993 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCOc1ccc(Cl)cc1Cl ZINC001292343612 1065092190 /nfs/dbraw/zinc/09/21/90/1065092190.db2.gz AXTRBKYNSCVMKT-LJQANCHMSA-N 1 1 458.386 2.592 20 0 JFADMO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001292347903 1065094961 /nfs/dbraw/zinc/09/49/61/1065094961.db2.gz XSQBHHYIYHKPNM-ISJRUSPKSA-N 1 1 484.711 2.650 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292352895 1065097340 /nfs/dbraw/zinc/09/73/40/1065097340.db2.gz HCYILSWYDNMRTC-CYFREDJKSA-N 1 1 490.052 2.942 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001292357262 1065102158 /nfs/dbraw/zinc/10/21/58/1065102158.db2.gz SWYCLXSECQTDSI-AREMUKBSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001292357262 1065102166 /nfs/dbraw/zinc/10/21/66/1065102166.db2.gz SWYCLXSECQTDSI-AREMUKBSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001292357262 1065102170 /nfs/dbraw/zinc/10/21/70/1065102170.db2.gz SWYCLXSECQTDSI-AREMUKBSSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001292364697 1065105623 /nfs/dbraw/zinc/10/56/23/1065105623.db2.gz LTJLTDYMRMPMJJ-NFBKMPQASA-N 1 1 462.664 2.876 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001292377988 1065120176 /nfs/dbraw/zinc/12/01/76/1065120176.db2.gz UCAWKYOOWHLJQI-QGZVFWFLSA-N 1 1 486.646 2.842 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC001292377984 1065120223 /nfs/dbraw/zinc/12/02/23/1065120223.db2.gz UCAWKYOOWHLJQI-KRWDZBQOSA-N 1 1 486.646 2.842 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001292379284 1065123283 /nfs/dbraw/zinc/12/32/83/1065123283.db2.gz KAZGSEVJPMGNTI-CYFREDJKSA-N 1 1 461.582 2.848 20 0 JFADMO CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001292379286 1065123354 /nfs/dbraw/zinc/12/33/54/1065123354.db2.gz KAZGSEVJPMGNTI-NTKDMRAZSA-N 1 1 461.582 2.848 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001292391956 1065131080 /nfs/dbraw/zinc/13/10/80/1065131080.db2.gz UKUJOKOVAACQQM-HBMCJLEFSA-N 1 1 456.587 2.906 20 0 JFADMO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413986 1065148448 /nfs/dbraw/zinc/14/84/48/1065148448.db2.gz PNRGOSQXHNTZEJ-URVUXULASA-N 1 1 476.666 2.571 20 0 JFADMO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC001292415297 1065149169 /nfs/dbraw/zinc/14/91/69/1065149169.db2.gz XSOSPCMCXNGTNF-HSALFYBXSA-N 1 1 496.722 2.794 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001292432385 1065158612 /nfs/dbraw/zinc/15/86/12/1065158612.db2.gz GNQCWVDIGQAAMP-LJQANCHMSA-N 1 1 451.531 2.831 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001292475466 1065200300 /nfs/dbraw/zinc/20/03/00/1065200300.db2.gz VRBBIIWJXXDKDQ-HXUWFJFHSA-N 1 1 462.664 2.613 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCN(C(C)=O)CC4)[C@@H](C)C3)n2C[C@H](C)OC)cc1 ZINC001292478171 1065201917 /nfs/dbraw/zinc/20/19/17/1065201917.db2.gz DYCQBKHNABOOSM-YDHSSHFGSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292478649 1065202894 /nfs/dbraw/zinc/20/28/94/1065202894.db2.gz IHGLQABMMOPCJI-PMACEKPBSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](CC)[C@H]([NH+]4CCOCC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292483796 1065205712 /nfs/dbraw/zinc/20/57/12/1065205712.db2.gz DRMIZPOZQUKTJR-MDNUFGMLSA-N 1 1 457.619 2.716 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@](C)([NH+]4CCOCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292490561 1065211817 /nfs/dbraw/zinc/21/18/17/1065211817.db2.gz QIBOPOHSVBQPKU-SANMLTNESA-N 1 1 468.646 2.971 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001292497736 1065217195 /nfs/dbraw/zinc/21/71/95/1065217195.db2.gz JTGLQOPFRSXZIK-SFHVURJKSA-N 1 1 454.619 2.722 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001292498279 1065218108 /nfs/dbraw/zinc/21/81/08/1065218108.db2.gz QRDKVQOEELCCPW-HSZRJFAPSA-N 1 1 488.702 2.549 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292507547 1065225443 /nfs/dbraw/zinc/22/54/43/1065225443.db2.gz JZFFOCBIZDMDFZ-JIPXPUAJSA-N 1 1 482.673 2.953 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCN2CCCS2(=O)=O)cc1 ZINC001292511683 1065229742 /nfs/dbraw/zinc/22/97/42/1065229742.db2.gz ZJLPVJXOJKOEBX-UHFFFAOYSA-N 1 1 474.675 2.854 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001292512468 1065230759 /nfs/dbraw/zinc/23/07/59/1065230759.db2.gz MPNJUKFBQDKKLT-UHFFFAOYSA-N 1 1 450.591 2.581 20 0 JFADMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2)c1 ZINC001292513706 1065233887 /nfs/dbraw/zinc/23/38/87/1065233887.db2.gz AABBLBNOXYBBAK-PKTZIBPZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001292517594 1065239474 /nfs/dbraw/zinc/23/94/74/1065239474.db2.gz FGUDMEYPQVSOJZ-FQEVSTJZSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001292517594 1065239484 /nfs/dbraw/zinc/23/94/84/1065239484.db2.gz FGUDMEYPQVSOJZ-FQEVSTJZSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(CC)CC)CC3)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292517862 1065239970 /nfs/dbraw/zinc/23/99/70/1065239970.db2.gz JNQWLUXCVQGMHT-XMMPIXPASA-N 1 1 481.689 2.982 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCOCCOC)cc1 ZINC001292518319 1065242155 /nfs/dbraw/zinc/24/21/55/1065242155.db2.gz PSWLVXOTYLTQMP-HXUWFJFHSA-N 1 1 457.619 2.860 20 0 JFADMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521208 1065247424 /nfs/dbraw/zinc/24/74/24/1065247424.db2.gz DGUAEBSYJNCUNR-IOMROCGXSA-N 1 1 458.603 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2CC[N@@H+](C)CCCOC)cc1 ZINC001292525261 1065251170 /nfs/dbraw/zinc/25/11/70/1065251170.db2.gz QXZVPMPGSGHCQC-DEOSSOPVSA-N 1 1 456.591 2.507 20 0 JFADMO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[N@@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541765 1065263923 /nfs/dbraw/zinc/26/39/23/1065263923.db2.gz WZJBKTRNDDXYND-SFTDATJTSA-N 1 1 454.615 2.900 20 0 JFADMO CCc1nnc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292542991 1065264777 /nfs/dbraw/zinc/26/47/77/1065264777.db2.gz ZNQDIGKAZDVBEZ-PKTZIBPZSA-N 1 1 468.646 2.924 20 0 JFADMO CCc1ccc(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC001292552228 1065270085 /nfs/dbraw/zinc/27/00/85/1065270085.db2.gz QZVKWRSLOMLNPU-LVCYWYKZSA-N 1 1 463.648 2.831 20 0 JFADMO CCc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[N@H+](CC)[C@@H](C)C3)c[nH]c21 ZINC001292567316 1065278520 /nfs/dbraw/zinc/27/85/20/1065278520.db2.gz ICFFGEAUBZCYPD-ROUUACIJSA-N 1 1 487.674 2.705 20 0 JFADMO CCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001292568003 1065279476 /nfs/dbraw/zinc/27/94/76/1065279476.db2.gz KFLDEXNEDGSLOR-IBGZPJMESA-N 1 1 454.619 2.717 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@@H+]1CC ZINC001292578344 1065290437 /nfs/dbraw/zinc/29/04/37/1065290437.db2.gz IDGCNKDDTAMKRH-HXUWFJFHSA-N 1 1 467.618 2.522 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292579228 1065293531 /nfs/dbraw/zinc/29/35/31/1065293531.db2.gz OZACJKPCDJRZTJ-OAQYLSRUSA-N 1 1 470.618 2.878 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292579228 1065293542 /nfs/dbraw/zinc/29/35/42/1065293542.db2.gz OZACJKPCDJRZTJ-OAQYLSRUSA-N 1 1 470.618 2.878 20 0 JFADMO CCc1nnc(N(C)CC(=O)Nc2ccccc2CC)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292579674 1065295405 /nfs/dbraw/zinc/29/54/05/1065295405.db2.gz XKSATOCIDOYHJH-DEOSSOPVSA-N 1 1 472.659 2.686 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292579694 1065295850 /nfs/dbraw/zinc/29/58/50/1065295850.db2.gz XURACDLEMRKOBH-UNMCSNQZSA-N 1 1 484.645 2.778 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589520 1065305794 /nfs/dbraw/zinc/30/57/94/1065305794.db2.gz MFFYIFXISGKDDS-QUCCMNQESA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589521 1065305920 /nfs/dbraw/zinc/30/59/20/1065305920.db2.gz MFFYIFXISGKDDS-UYAOXDASSA-N 1 1 461.632 2.527 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001292590013 1065306998 /nfs/dbraw/zinc/30/69/98/1065306998.db2.gz JMOODDZPFPJTNG-KHOMTPLRSA-N 1 1 456.587 2.970 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590799 1065308545 /nfs/dbraw/zinc/30/85/45/1065308545.db2.gz VXMGZXDVRATRON-AZUAARDMSA-N 1 1 454.619 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCn1cc[nH+]c1C ZINC001292601290 1065324343 /nfs/dbraw/zinc/32/43/43/1065324343.db2.gz USFBJZBJMWPNFZ-FQEVSTJZSA-N 1 1 472.615 2.638 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001292609732 1065337051 /nfs/dbraw/zinc/33/70/51/1065337051.db2.gz HIPLLTKTMQNJSP-FQEVSTJZSA-N 1 1 469.634 2.613 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001292614172 1065342597 /nfs/dbraw/zinc/34/25/97/1065342597.db2.gz DASVBFJTTKXMTQ-PZJWPPBQSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001292614409 1065343976 /nfs/dbraw/zinc/34/39/76/1065343976.db2.gz DXMDPXTWALTKRN-INIZCTEOSA-N 1 1 468.524 2.628 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCN1CCSCC1 ZINC001292615660 1065348626 /nfs/dbraw/zinc/34/86/26/1065348626.db2.gz QFAUQYVHCIVOOM-FQEVSTJZSA-N 1 1 458.676 2.999 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCN1CCSCC1 ZINC001292615660 1065348637 /nfs/dbraw/zinc/34/86/37/1065348637.db2.gz QFAUQYVHCIVOOM-FQEVSTJZSA-N 1 1 458.676 2.999 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616014 1065349989 /nfs/dbraw/zinc/34/99/89/1065349989.db2.gz WYJURFVKUOPITE-OAQYLSRUSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC001292626433 1065363459 /nfs/dbraw/zinc/36/34/59/1065363459.db2.gz JFJVTAZSJZYCNF-IBGZPJMESA-N 1 1 473.691 2.871 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001292661583 1065397788 /nfs/dbraw/zinc/39/77/88/1065397788.db2.gz TZYNPGMYZYEQPU-LEWJYISDSA-N 1 1 458.603 2.531 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001292673224 1065412773 /nfs/dbraw/zinc/41/27/73/1065412773.db2.gz HLOLJJWAUIPJFJ-NVXWUHKLSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001292673224 1065412780 /nfs/dbraw/zinc/41/27/80/1065412780.db2.gz HLOLJJWAUIPJFJ-NVXWUHKLSA-N 1 1 458.636 2.924 20 0 JFADMO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)no1 ZINC001292696570 1065447075 /nfs/dbraw/zinc/44/70/75/1065447075.db2.gz SJDSZNUDMOPBTL-RTBURBONSA-N 1 1 472.638 2.695 20 0 JFADMO CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)no1 ZINC001292717745 1065473339 /nfs/dbraw/zinc/47/33/39/1065473339.db2.gz JNISKJXBRHFZRG-GOSISDBHSA-N 1 1 453.591 2.790 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001292728971 1065490400 /nfs/dbraw/zinc/49/04/00/1065490400.db2.gz OGPHKUDPGXFKOI-LJQANCHMSA-N 1 1 470.647 2.871 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292729551 1065491903 /nfs/dbraw/zinc/49/19/03/1065491903.db2.gz UCGVUAOSCKLFBZ-ZWKOTPCHSA-N 1 1 480.704 2.956 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292762869 1065519765 /nfs/dbraw/zinc/51/97/65/1065519765.db2.gz XWNRBPOJCZPRLL-UHFFFAOYSA-N 1 1 466.634 2.794 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292762869 1065519774 /nfs/dbraw/zinc/51/97/74/1065519774.db2.gz XWNRBPOJCZPRLL-UHFFFAOYSA-N 1 1 466.634 2.794 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c([C@H](C)CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001292775320 1065533211 /nfs/dbraw/zinc/53/32/11/1065533211.db2.gz WXQCLDIZWNIIGO-MSOLQXFVSA-N 1 1 459.639 2.834 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292776008 1065534964 /nfs/dbraw/zinc/53/49/64/1065534964.db2.gz INLKCSOSVLZWPC-UHFFFAOYSA-N 1 1 467.618 2.845 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292776008 1065534976 /nfs/dbraw/zinc/53/49/76/1065534976.db2.gz INLKCSOSVLZWPC-UHFFFAOYSA-N 1 1 467.618 2.845 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(N2CCC[N@H+](C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001292783779 1065544400 /nfs/dbraw/zinc/54/44/00/1065544400.db2.gz ZRIVKVSDKXWTBV-VWLOTQADSA-N 1 1 489.665 2.592 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(N2CCC[N@H+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001292783778 1065544433 /nfs/dbraw/zinc/54/44/33/1065544433.db2.gz ZRIVKVSDKXWTBV-RUZDIDTESA-N 1 1 489.665 2.592 20 0 JFADMO CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292790611 1065552221 /nfs/dbraw/zinc/55/22/21/1065552221.db2.gz LUPYSOQYUBVUCX-KRWDZBQOSA-N 1 1 471.631 2.963 20 0 JFADMO CCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001292813703 1065564369 /nfs/dbraw/zinc/56/43/69/1065564369.db2.gz OFFCYBBDGIMSTQ-NHCUHLMSSA-N 1 1 462.589 2.907 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001292893185 1065592560 /nfs/dbraw/zinc/59/25/60/1065592560.db2.gz LULHIZPFCHAJQP-OXJNMPFZSA-N 1 1 461.010 2.540 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894287 1065595448 /nfs/dbraw/zinc/59/54/48/1065595448.db2.gz WKOSWDMQBIPXEG-UTKZUKDTSA-N 1 1 493.578 2.876 20 0 JFADMO CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292907490 1065599053 /nfs/dbraw/zinc/59/90/53/1065599053.db2.gz SQGFJBVPIZXAQB-KSEOMHKRSA-N 1 1 454.619 2.750 20 0 JFADMO Cc1ccc2cc(Cl)cc(C(=O)N(C)C3CC[NH+](CC(=O)N4CCN(C)CC4)CC3)c2n1 ZINC001292921066 1065606551 /nfs/dbraw/zinc/60/65/51/1065606551.db2.gz UVAKNDFMFYHFLP-UHFFFAOYSA-N 1 1 458.006 2.507 20 0 JFADMO CCc1nnc(N2CCC(C)=C(Br)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292933741 1065623147 /nfs/dbraw/zinc/62/31/47/1065623147.db2.gz XPWHNNNYBCPBFT-IBGZPJMESA-N 1 1 456.454 2.927 20 0 JFADMO CCc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001292933739 1065623177 /nfs/dbraw/zinc/62/31/77/1065623177.db2.gz XPLFRJPWPSUZQK-WZONZLPQSA-N 1 1 450.628 2.787 20 0 JFADMO CC(=O)N[C@H](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC001292948797 1065629880 /nfs/dbraw/zinc/62/98/80/1065629880.db2.gz IBCXMZVHNZQUAA-WOJBJXKFSA-N 1 1 450.555 2.699 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001292951620 1065631388 /nfs/dbraw/zinc/63/13/88/1065631388.db2.gz JZJOMFSAKHJXKO-SQJMNOBHSA-N 1 1 460.667 2.959 20 0 JFADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959106 1065637032 /nfs/dbraw/zinc/63/70/32/1065637032.db2.gz TXAIYHYQXRPBGO-FQEVSTJZSA-N 1 1 458.550 2.921 20 0 JFADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959106 1065637038 /nfs/dbraw/zinc/63/70/38/1065637038.db2.gz TXAIYHYQXRPBGO-FQEVSTJZSA-N 1 1 458.550 2.921 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968505 1065648127 /nfs/dbraw/zinc/64/81/27/1065648127.db2.gz RHZSLEIVJHMATF-UZYVYHOESA-N 1 1 451.600 2.544 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968505 1065648133 /nfs/dbraw/zinc/64/81/33/1065648133.db2.gz RHZSLEIVJHMATF-UZYVYHOESA-N 1 1 451.600 2.544 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968505 1065648141 /nfs/dbraw/zinc/64/81/41/1065648141.db2.gz RHZSLEIVJHMATF-UZYVYHOESA-N 1 1 451.600 2.544 20 0 JFADMO CCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978225 1065658409 /nfs/dbraw/zinc/65/84/09/1065658409.db2.gz DSDODQVEVMTJLG-IBGZPJMESA-N 1 1 478.588 2.909 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001292981172 1065666049 /nfs/dbraw/zinc/66/60/49/1065666049.db2.gz CKHPWIPVQGRUBH-AQNXPRMDSA-N 1 1 464.655 2.817 20 0 JFADMO CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292986648 1065672465 /nfs/dbraw/zinc/67/24/65/1065672465.db2.gz NJKGYDACUSFHNO-CYFREDJKSA-N 1 1 450.624 2.617 20 0 JFADMO CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292986648 1065672471 /nfs/dbraw/zinc/67/24/71/1065672471.db2.gz NJKGYDACUSFHNO-CYFREDJKSA-N 1 1 450.624 2.617 20 0 JFADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292987358 1065673830 /nfs/dbraw/zinc/67/38/30/1065673830.db2.gz UJCJCADDEFXFJM-INIZCTEOSA-N 1 1 454.384 2.924 20 0 JFADMO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292987358 1065673841 /nfs/dbraw/zinc/67/38/41/1065673841.db2.gz UJCJCADDEFXFJM-INIZCTEOSA-N 1 1 454.384 2.924 20 0 JFADMO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292990017 1065677031 /nfs/dbraw/zinc/67/70/31/1065677031.db2.gz MKXBUEWVSSQZOF-NRFANRHFSA-N 1 1 455.651 2.865 20 0 JFADMO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292990018 1065677101 /nfs/dbraw/zinc/67/71/01/1065677101.db2.gz MKXBUEWVSSQZOF-OAQYLSRUSA-N 1 1 455.651 2.865 20 0 JFADMO CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293004837 1065689270 /nfs/dbraw/zinc/68/92/70/1065689270.db2.gz VOLWNDVPTRGSHT-OAQYLSRUSA-N 1 1 454.619 2.663 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001293039945 1065707636 /nfs/dbraw/zinc/70/76/36/1065707636.db2.gz CIVBAZJGMRPCOQ-YADHBBJMSA-N 1 1 484.645 2.949 20 0 JFADMO CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001293039944 1065707659 /nfs/dbraw/zinc/70/76/59/1065707659.db2.gz CIVBAZJGMRPCOQ-VXKWHMMOSA-N 1 1 484.645 2.949 20 0 JFADMO C[N@@H+](CCN1CCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)CC1)Cc1ccccc1 ZINC001293066119 1065717289 /nfs/dbraw/zinc/71/72/89/1065717289.db2.gz YBFUGQBQLBMJGT-UHFFFAOYSA-N 1 1 454.575 2.713 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001293066375 1065717595 /nfs/dbraw/zinc/71/75/95/1065717595.db2.gz JMTRZCNAAMEBTM-QHCPKHFHSA-N 1 1 496.578 2.671 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001293066375 1065717607 /nfs/dbraw/zinc/71/76/07/1065717607.db2.gz JMTRZCNAAMEBTM-QHCPKHFHSA-N 1 1 496.578 2.671 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC1(c2ccccc2OC)CC1 ZINC001293066339 1065717681 /nfs/dbraw/zinc/71/76/81/1065717681.db2.gz IKAUSORCOKWKIK-UHFFFAOYSA-N 1 1 468.646 2.961 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC1(c2ccccc2OC)CC1 ZINC001293066339 1065717695 /nfs/dbraw/zinc/71/76/95/1065717695.db2.gz IKAUSORCOKWKIK-UHFFFAOYSA-N 1 1 468.646 2.961 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001293068377 1065719968 /nfs/dbraw/zinc/71/99/68/1065719968.db2.gz FRPVCVOJELSXRB-UHFFFAOYSA-N 1 1 461.010 2.685 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001293068377 1065719979 /nfs/dbraw/zinc/71/99/79/1065719979.db2.gz FRPVCVOJELSXRB-UHFFFAOYSA-N 1 1 461.010 2.685 20 0 JFADMO C[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)[C@H]1CCSC1 ZINC001293074763 1065727138 /nfs/dbraw/zinc/72/71/38/1065727138.db2.gz OTDMAUIDIXPOMS-XZOQPEGZSA-N 1 1 455.599 2.875 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293081162 1065730325 /nfs/dbraw/zinc/73/03/25/1065730325.db2.gz GBCBGMQNYYETSG-HXUWFJFHSA-N 1 1 454.619 2.877 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293083204 1065733665 /nfs/dbraw/zinc/73/36/65/1065733665.db2.gz KEOAYUPOLZUQFP-IRLDBZIGSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293089718 1065738602 /nfs/dbraw/zinc/73/86/02/1065738602.db2.gz QACJYYLXQIIVRJ-IBGZPJMESA-N 1 1 463.671 2.560 20 0 JFADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001293090060 1065739414 /nfs/dbraw/zinc/73/94/14/1065739414.db2.gz ZVMUELYWLVRZRI-UHFFFAOYSA-N 1 1 470.618 2.778 20 0 JFADMO CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293103687 1065751079 /nfs/dbraw/zinc/75/10/79/1065751079.db2.gz LEVWRLYZRXPNFR-UHFFFAOYSA-N 1 1 471.625 2.536 20 0 JFADMO CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001293104512 1065752333 /nfs/dbraw/zinc/75/23/33/1065752333.db2.gz YEUIZZQSRDHKLM-FQEVSTJZSA-N 1 1 483.020 2.617 20 0 JFADMO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001293111310 1065756995 /nfs/dbraw/zinc/75/69/95/1065756995.db2.gz OSABGEGYAIVJDD-UHFFFAOYSA-N 1 1 464.618 2.796 20 0 JFADMO CC[C@@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001293111499 1065757764 /nfs/dbraw/zinc/75/77/64/1065757764.db2.gz MKEXZOSOKMHYHK-DEOSSOPVSA-N 1 1 450.624 2.569 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001293116285 1065763116 /nfs/dbraw/zinc/76/31/16/1065763116.db2.gz KQOGDYOYDXVPJN-BXXSPATCSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293118897 1065766419 /nfs/dbraw/zinc/76/64/19/1065766419.db2.gz FYKKGNZVMFEZBE-XPWALMASSA-N 1 1 473.710 2.732 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293121001 1065770193 /nfs/dbraw/zinc/77/01/93/1065770193.db2.gz VQXGVSZJGKGDIZ-KMDXXIMOSA-N 1 1 487.737 2.979 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001293120966 1065770243 /nfs/dbraw/zinc/77/02/43/1065770243.db2.gz JXOYOBRRLDYAAE-HRTMPFAESA-N 1 1 459.683 2.532 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001293123091 1065775804 /nfs/dbraw/zinc/77/58/04/1065775804.db2.gz DVUPDQPWEVJQNY-FQEVSTJZSA-N 1 1 486.665 2.913 20 0 JFADMO CCc1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001293129717 1065780339 /nfs/dbraw/zinc/78/03/39/1065780339.db2.gz DJFJIVJNVHIKHU-LJQANCHMSA-N 1 1 489.024 2.648 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132385 1065784952 /nfs/dbraw/zinc/78/49/52/1065784952.db2.gz VZMOOWKFZGNSJT-FGZHOGPDSA-N 1 1 486.661 2.548 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001293173643 1065801555 /nfs/dbraw/zinc/80/15/55/1065801555.db2.gz NHTQLRSUHZUGET-LEWJYISDSA-N 1 1 470.618 2.559 20 0 JFADMO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001293188703 1065813715 /nfs/dbraw/zinc/81/37/15/1065813715.db2.gz MXRKBYVYNBXRCK-CVEARBPZSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293188728 1065814147 /nfs/dbraw/zinc/81/41/47/1065814147.db2.gz NQBPVJYEAPKGOD-LJQANCHMSA-N 1 1 488.681 2.806 20 0 JFADMO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)n1 ZINC001293188728 1065814155 /nfs/dbraw/zinc/81/41/55/1065814155.db2.gz NQBPVJYEAPKGOD-LJQANCHMSA-N 1 1 488.681 2.806 20 0 JFADMO CCc1noc(C)c1Cn1c(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001293206918 1065833204 /nfs/dbraw/zinc/83/32/04/1065833204.db2.gz OOWSJMOGXUAVDG-JTSKRJEESA-N 1 1 471.650 2.862 20 0 JFADMO CCc1nsc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001293208722 1065840933 /nfs/dbraw/zinc/84/09/33/1065840933.db2.gz PYMAYHZKPVWTAQ-SFHVURJKSA-N 1 1 462.668 2.643 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001293214580 1065848660 /nfs/dbraw/zinc/84/86/60/1065848660.db2.gz ABMLLMORUNVGFE-UWJYYQICSA-N 1 1 467.618 2.594 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3csc(Nc4ccccn4)n3)c2)C1 ZINC001293215826 1065853218 /nfs/dbraw/zinc/85/32/18/1065853218.db2.gz WUBWHSZHZWCSCR-SFHVURJKSA-N 1 1 450.568 2.909 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@@H+]1CC=CCC1 ZINC001293218067 1065861314 /nfs/dbraw/zinc/86/13/14/1065861314.db2.gz IIRRSXULBHXUEU-IBGZPJMESA-N 1 1 489.418 2.693 20 0 JFADMO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC001293220041 1065868798 /nfs/dbraw/zinc/86/87/98/1065868798.db2.gz QSTOCENPYLQVLA-LJQANCHMSA-N 1 1 453.624 2.942 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293257609 1065921806 /nfs/dbraw/zinc/92/18/06/1065921806.db2.gz MSDFPRHCACYJTN-RCZSKKKRSA-N 1 1 475.659 2.820 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001293298506 1065939280 /nfs/dbraw/zinc/93/92/80/1065939280.db2.gz QRRBQYPBJVYTOQ-WOIUINJBSA-N 1 1 474.675 2.962 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001293298505 1065939369 /nfs/dbraw/zinc/93/93/69/1065939369.db2.gz QRRBQYPBJVYTOQ-NNMXDRDESA-N 1 1 474.675 2.962 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293316117 1065946091 /nfs/dbraw/zinc/94/60/91/1065946091.db2.gz OBHNAICQUIPZFU-CEMLEFRQSA-N 1 1 453.635 2.831 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293316120 1065946176 /nfs/dbraw/zinc/94/61/76/1065946176.db2.gz OBHNAICQUIPZFU-NNWRFLSQSA-N 1 1 453.635 2.831 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293321119 1065948403 /nfs/dbraw/zinc/94/84/03/1065948403.db2.gz LRVVKHGESMWJIG-KJJMTIBFSA-N 1 1 496.722 2.890 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(C)cc(C)n2)c1 ZINC001293325858 1065950154 /nfs/dbraw/zinc/95/01/54/1065950154.db2.gz ZYPNFWDKQGIGMR-UHFFFAOYSA-N 1 1 459.616 2.733 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293330881 1065951737 /nfs/dbraw/zinc/95/17/37/1065951737.db2.gz FWVRMQOYNJWTLN-RTBURBONSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293330881 1065951754 /nfs/dbraw/zinc/95/17/54/1065951754.db2.gz FWVRMQOYNJWTLN-RTBURBONSA-N 1 1 473.691 2.920 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293330881 1065951769 /nfs/dbraw/zinc/95/17/69/1065951769.db2.gz FWVRMQOYNJWTLN-RTBURBONSA-N 1 1 473.691 2.920 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)[nH+]1 ZINC001293340265 1065956055 /nfs/dbraw/zinc/95/60/55/1065956055.db2.gz BQUDHYHHDBWZHK-JKSUJKDBSA-N 1 1 451.980 2.598 20 0 JFADMO CC[C@H]1CCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CCOC)CC1 ZINC001293355519 1065962428 /nfs/dbraw/zinc/96/24/28/1065962428.db2.gz GHQCCYBSFKGCAH-RBUKOAKNSA-N 1 1 460.648 2.864 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001293361335 1065964845 /nfs/dbraw/zinc/96/48/45/1065964845.db2.gz IQCHKTCXGILYLX-XMMPIXPASA-N 1 1 450.624 2.569 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001293361340 1065965028 /nfs/dbraw/zinc/96/50/28/1065965028.db2.gz VAFYBYNXKZAZHG-LJQANCHMSA-N 1 1 474.679 2.854 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293362098 1065966071 /nfs/dbraw/zinc/96/60/71/1065966071.db2.gz CUSXBDQGEGQQGU-WOIUINJBSA-N 1 1 470.684 2.548 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001293365616 1065970497 /nfs/dbraw/zinc/97/04/97/1065970497.db2.gz NRSUPLWLEMDUGN-FQEVSTJZSA-N 1 1 470.618 2.689 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001293369254 1065972496 /nfs/dbraw/zinc/97/24/96/1065972496.db2.gz CJDMFJNKBSETIJ-RCCFBDPRSA-N 1 1 472.556 2.551 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 ZINC001293369350 1065972526 /nfs/dbraw/zinc/97/25/26/1065972526.db2.gz DWNNVCMUHAAGQM-IRLDBZIGSA-N 1 1 490.674 2.952 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 ZINC001293369351 1065973015 /nfs/dbraw/zinc/97/30/15/1065973015.db2.gz DWNNVCMUHAAGQM-RBBKRZOGSA-N 1 1 490.674 2.952 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001293370371 1065973701 /nfs/dbraw/zinc/97/37/01/1065973701.db2.gz AWHROHCAJBHPNI-ATKRNPRHSA-N 1 1 473.666 2.549 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 ZINC001293370965 1065974001 /nfs/dbraw/zinc/97/40/01/1065974001.db2.gz DKWFOFDFYFAYRK-LJQANCHMSA-N 1 1 488.658 2.924 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001293371329 1065974033 /nfs/dbraw/zinc/97/40/33/1065974033.db2.gz DWKNNJKLDKFXHF-HXUWFJFHSA-N 1 1 456.639 2.652 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001293373277 1065977080 /nfs/dbraw/zinc/97/70/80/1065977080.db2.gz MXDUUIDEDMVZHM-FQEVSTJZSA-N 1 1 464.609 2.791 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373121 1065977135 /nfs/dbraw/zinc/97/71/35/1065977135.db2.gz PLGDUZCHFDRQMW-RTWAWAEBSA-N 1 1 467.680 2.698 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373733 1065978303 /nfs/dbraw/zinc/97/83/03/1065978303.db2.gz RFBUDIHRMRHSRS-IFMALSPDSA-N 1 1 475.659 2.787 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001293373762 1065978771 /nfs/dbraw/zinc/97/87/71/1065978771.db2.gz RNHFUOVZHGPYPP-QFIPXVFZSA-N 1 1 470.666 2.886 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293373845 1065978877 /nfs/dbraw/zinc/97/88/77/1065978877.db2.gz SIBBFTPZKNTQHY-FQEVSTJZSA-N 1 1 489.665 2.722 20 0 JFADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@H](C)C1 ZINC001293377337 1065981827 /nfs/dbraw/zinc/98/18/27/1065981827.db2.gz SVDPFKWMSVEHKS-SJLPKXTDSA-N 1 1 459.591 2.507 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O ZINC001293376586 1065981979 /nfs/dbraw/zinc/98/19/79/1065981979.db2.gz CVHCCLPDTGFHEJ-UAGQMJEPSA-N 1 1 486.593 2.673 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293379411 1065983564 /nfs/dbraw/zinc/98/35/64/1065983564.db2.gz OUYYNBKUZHUTOE-UGKGYDQZSA-N 1 1 491.658 2.754 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293379456 1065983630 /nfs/dbraw/zinc/98/36/30/1065983630.db2.gz PQEUTGIXLYTHEV-JOCHJYFZSA-N 1 1 484.645 2.725 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@@H+](C)CCOC)C1 ZINC001293387800 1065988573 /nfs/dbraw/zinc/98/85/73/1065988573.db2.gz WZSUJYLLWXEYFU-LJQANCHMSA-N 1 1 477.679 2.751 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001293398633 1065992676 /nfs/dbraw/zinc/99/26/76/1065992676.db2.gz DBWPGKMNTIFZKV-NJYVYQBISA-N 1 1 482.695 2.502 20 0 JFADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001293420340 1066001967 /nfs/dbraw/zinc/00/19/67/1066001967.db2.gz RSGCKLBHOBKIGE-KBPBESRZSA-N 1 1 458.422 2.779 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001293457085 1066013776 /nfs/dbraw/zinc/01/37/76/1066013776.db2.gz SHRCZJWQDJOXJV-FBLLAGFSSA-N 1 1 462.683 2.829 20 0 JFADMO CC[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)CCOC)C1 ZINC001293482019 1066020203 /nfs/dbraw/zinc/02/02/03/1066020203.db2.gz BPWBCMGTNRMGFT-PMACEKPBSA-N 1 1 480.654 2.791 20 0 JFADMO CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCOC)CC1 ZINC001293486224 1066023678 /nfs/dbraw/zinc/02/36/78/1066023678.db2.gz XJQIWRUTBFKZLV-HXUWFJFHSA-N 1 1 480.654 2.791 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC[N@H+]1CCOC ZINC001293505196 1066028787 /nfs/dbraw/zinc/02/87/87/1066028787.db2.gz FMWHQMDZMQUGHO-GOSISDBHSA-N 1 1 479.000 2.902 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC[N@H+]1CCOC ZINC001293505558 1066029203 /nfs/dbraw/zinc/02/92/03/1066029203.db2.gz HCSCKEYXQOXZIR-MJGOQNOKSA-N 1 1 475.663 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC001293506112 1066029832 /nfs/dbraw/zinc/02/98/32/1066029832.db2.gz ANSNZRVOLNILON-UZLBHIALSA-N 1 1 479.000 2.804 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)cc3c2)CC[N@H+]1CCOC ZINC001293506497 1066030454 /nfs/dbraw/zinc/03/04/54/1066030454.db2.gz DAAPIQXKPHOUIW-OAQYLSRUSA-N 1 1 467.618 2.801 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC[N@H+]1CCOC ZINC001293506698 1066030624 /nfs/dbraw/zinc/03/06/24/1066030624.db2.gz FQVSGXSBCQMNCP-QFIPXVFZSA-N 1 1 484.645 2.757 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293516398 1066039795 /nfs/dbraw/zinc/03/97/95/1066039795.db2.gz AKXYYWXWFQZSNY-FUHWJXTLSA-N 1 1 480.455 2.782 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293516400 1066039878 /nfs/dbraw/zinc/03/98/78/1066039878.db2.gz AKXYYWXWFQZSNY-WMZOPIPTSA-N 1 1 480.455 2.782 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CC[N@H+]1CCOC ZINC001293519876 1066041464 /nfs/dbraw/zinc/04/14/64/1066041464.db2.gz OJXSIPOXKBPMKH-GOSISDBHSA-N 1 1 455.607 2.878 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524101 1066045319 /nfs/dbraw/zinc/04/53/19/1066045319.db2.gz KXZWMWLPFAHUQN-VAMGGRTRSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293524103 1066045730 /nfs/dbraw/zinc/04/57/30/1066045730.db2.gz KXZWMWLPFAHUQN-ZCNNSNEGSA-N 1 1 477.581 2.520 20 0 JFADMO CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CC[N@H+]1CCOC ZINC001293529318 1066049118 /nfs/dbraw/zinc/04/91/18/1066049118.db2.gz IJBKDYSRSAMVRF-QGZVFWFLSA-N 1 1 452.397 2.953 20 0 JFADMO CC[C@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CCN1CCOC ZINC001293530373 1066049845 /nfs/dbraw/zinc/04/98/45/1066049845.db2.gz OUSVLYHYCNLWJA-JTHBVZDNSA-N 1 1 456.635 2.979 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@H+]1CCOC ZINC001293531082 1066051005 /nfs/dbraw/zinc/05/10/05/1066051005.db2.gz KENUBWZSNZPEFQ-KNQAVFIVSA-N 1 1 471.593 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC[N@H+]1CCOC ZINC001293537501 1066054738 /nfs/dbraw/zinc/05/47/38/1066054738.db2.gz NFWQPLDYKDVWHC-GOSISDBHSA-N 1 1 491.438 2.847 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293537867 1066055435 /nfs/dbraw/zinc/05/54/35/1066055435.db2.gz TULCEGJKXFXGTP-SJLPKXTDSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC[N@H+]1CCOC ZINC001293540082 1066058310 /nfs/dbraw/zinc/05/83/10/1066058310.db2.gz LEYSJZYSYITLQD-HXUWFJFHSA-N 1 1 477.009 2.988 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293551046 1066066844 /nfs/dbraw/zinc/06/68/44/1066066844.db2.gz DPNAVIYMHAKLAY-NHCUHLMSSA-N 1 1 464.010 2.951 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC[N@H+]1CCOC ZINC001293556118 1066070287 /nfs/dbraw/zinc/07/02/87/1066070287.db2.gz HIBJJWJYPNELDN-HXUWFJFHSA-N 1 1 473.618 2.936 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293556345 1066070480 /nfs/dbraw/zinc/07/04/80/1066070480.db2.gz HUXDUSADYFKKRP-GPWHBBDMSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293556345 1066070492 /nfs/dbraw/zinc/07/04/92/1066070492.db2.gz HUXDUSADYFKKRP-GPWHBBDMSA-N 1 1 491.658 2.768 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001293557896 1066071380 /nfs/dbraw/zinc/07/13/80/1066071380.db2.gz PKKWGQZNQFMAAZ-JQVVWYNYSA-N 1 1 473.618 2.792 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC[N@H+]1CCOC ZINC001293559120 1066073404 /nfs/dbraw/zinc/07/34/04/1066073404.db2.gz UDEFTCLMWRRGBT-HXUWFJFHSA-N 1 1 473.618 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293560124 1066074720 /nfs/dbraw/zinc/07/47/20/1066074720.db2.gz IGMZBACMOHXXRN-JTHBVZDNSA-N 1 1 454.619 2.751 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293562530 1066075878 /nfs/dbraw/zinc/07/58/78/1066075878.db2.gz ULPCZEULPVKIGT-HXUWFJFHSA-N 1 1 465.602 2.519 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293562806 1066076121 /nfs/dbraw/zinc/07/61/21/1066076121.db2.gz VSPQJGJPDNSLJT-IRLDBZIGSA-N 1 1 454.619 2.654 20 0 JFADMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC001293564311 1066076992 /nfs/dbraw/zinc/07/69/92/1066076992.db2.gz CLJQYWVQJVVTNE-UHFFFAOYSA-N 1 1 458.628 2.611 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC001293565918 1066078111 /nfs/dbraw/zinc/07/81/11/1066078111.db2.gz QCFIYXJVFLVKIX-UHFFFAOYSA-N 1 1 458.628 2.814 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(F)(F)Br)C[C@@H]1[NH+]1CCOCC1 ZINC001293566167 1066079060 /nfs/dbraw/zinc/07/90/60/1066079060.db2.gz DCAQMQGYSPLSIH-HOCLYGCPSA-N 1 1 471.350 2.875 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293566435 1066079850 /nfs/dbraw/zinc/07/98/50/1066079850.db2.gz FGVIAVCSOVMOFD-MSOLQXFVSA-N 1 1 465.545 2.925 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001293566753 1066080074 /nfs/dbraw/zinc/08/00/74/1066080074.db2.gz WNDRZKRAABQMNT-FQEVSTJZSA-N 1 1 474.625 2.742 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC[N@H+]1CCOC ZINC001293568152 1066081108 /nfs/dbraw/zinc/08/11/08/1066081108.db2.gz NMNIMKWOUICDSM-QGZVFWFLSA-N 1 1 457.604 2.709 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC[N@H+]1CCOC ZINC001293568772 1066081415 /nfs/dbraw/zinc/08/14/15/1066081415.db2.gz SAUDGAPPVOSYOL-FUHWJXTLSA-N 1 1 456.513 2.855 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293570370 1066082318 /nfs/dbraw/zinc/08/23/18/1066082318.db2.gz FLFCWWANGBJJEL-NRFANRHFSA-N 1 1 465.602 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293572220 1066084012 /nfs/dbraw/zinc/08/40/12/1066084012.db2.gz RIECKVOHQHWDOB-RDGATRHJSA-N 1 1 468.577 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293572713 1066084378 /nfs/dbraw/zinc/08/43/78/1066084378.db2.gz TVPBVFIYHPIZDH-NEWSRXKRSA-N 1 1 470.540 2.798 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293572712 1066084425 /nfs/dbraw/zinc/08/44/25/1066084425.db2.gz TVPBVFIYHPIZDH-BHIYHBOVSA-N 1 1 470.540 2.798 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293574158 1066085192 /nfs/dbraw/zinc/08/51/92/1066085192.db2.gz ZTESGBIOAJTSSA-ZWKOTPCHSA-N 1 1 450.678 2.679 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001293576526 1066087116 /nfs/dbraw/zinc/08/71/16/1066087116.db2.gz ALACXAOIBHOPGU-IPMKNSEASA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCC3)n2CCCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293581452 1066090188 /nfs/dbraw/zinc/09/01/88/1066090188.db2.gz BWOCCYCOWPHGBT-PKOBYXMFSA-N 1 1 458.573 2.977 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1CCOC ZINC001293582048 1066091060 /nfs/dbraw/zinc/09/10/60/1066091060.db2.gz HPYABESLYJZTAR-HKUYNNGSSA-N 1 1 498.525 2.982 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@H+]1CCOC ZINC001293584057 1066093581 /nfs/dbraw/zinc/09/35/81/1066093581.db2.gz KYGBIKWXECYBFB-SFTDATJTSA-N 1 1 472.609 2.893 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC001293588193 1066096496 /nfs/dbraw/zinc/09/64/96/1066096496.db2.gz USFTYVHLSULDRO-MQSCRBSSSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC001293588193 1066096505 /nfs/dbraw/zinc/09/65/05/1066096505.db2.gz USFTYVHLSULDRO-MQSCRBSSSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293592613 1066098346 /nfs/dbraw/zinc/09/83/46/1066098346.db2.gz BVDBJTSNKUKMJC-PKTZIBPZSA-N 1 1 462.683 2.841 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CC[NH+](CC)CC2)CCS1 ZINC001293592907 1066098605 /nfs/dbraw/zinc/09/86/05/1066098605.db2.gz CIQACLOWSZGTKN-SFTDATJTSA-N 1 1 450.697 2.922 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CC[NH+](CC)CC2)CCS1 ZINC001293592904 1066098648 /nfs/dbraw/zinc/09/86/48/1066098648.db2.gz CIQACLOWSZGTKN-RTWAWAEBSA-N 1 1 450.697 2.922 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CC[NH+](CC)CC2)CCS1 ZINC001293592898 1066098722 /nfs/dbraw/zinc/09/87/22/1066098722.db2.gz CIQACLOWSZGTKN-LEWJYISDSA-N 1 1 450.697 2.922 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001293593976 1066100586 /nfs/dbraw/zinc/10/05/86/1066100586.db2.gz IXMLWBWSCGRDHN-CYFREDJKSA-N 1 1 494.706 2.791 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293594905 1066103096 /nfs/dbraw/zinc/10/30/96/1066103096.db2.gz MFLXFOQGXXMFBQ-NHCUHLMSSA-N 1 1 492.665 2.586 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@H+]1CCOC ZINC001293596122 1066106464 /nfs/dbraw/zinc/10/64/64/1066106464.db2.gz QCQOPQIKYZGTGW-RBUKOAKNSA-N 1 1 476.647 2.558 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001293596104 1066106616 /nfs/dbraw/zinc/10/66/16/1066106616.db2.gz PZYVLRIUEYSPQT-LEWJYISDSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1CCOC ZINC001293596141 1066107220 /nfs/dbraw/zinc/10/72/20/1066107220.db2.gz QITGGNRMMXPINJ-GGAORHGYSA-N 1 1 499.660 2.861 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293597446 1066110119 /nfs/dbraw/zinc/11/01/19/1066110119.db2.gz SZQHBVFGTRZLFT-LFAGZIFBSA-N 1 1 457.619 2.627 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293598634 1066112367 /nfs/dbraw/zinc/11/23/67/1066112367.db2.gz WXUZCNOUACXNKK-DNRQZRRGSA-N 1 1 475.634 2.837 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293598959 1066112723 /nfs/dbraw/zinc/11/27/23/1066112723.db2.gz YKHSUCAFUWNRNP-AQNXPRMDSA-N 1 1 488.599 2.951 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293600352 1066116786 /nfs/dbraw/zinc/11/67/86/1066116786.db2.gz HJMFIJKRNQIPQQ-IFMALSPDSA-N 1 1 489.686 2.866 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293608045 1066123823 /nfs/dbraw/zinc/12/38/23/1066123823.db2.gz LJYFEWTWUGUIHY-GOTSBHOMSA-N 1 1 468.646 2.730 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293609633 1066124820 /nfs/dbraw/zinc/12/48/20/1066124820.db2.gz RLCCTOTUKVDSLW-ZLNRFVROSA-N 1 1 462.683 2.525 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293609694 1066125245 /nfs/dbraw/zinc/12/52/45/1066125245.db2.gz AEILMGOEEYMJBI-NZQKXSOJSA-N 1 1 458.626 2.897 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CC[NH+](CC)CC2)CCO1 ZINC001293609697 1066125297 /nfs/dbraw/zinc/12/52/97/1066125297.db2.gz AEILMGOEEYMJBI-OFNKIYASSA-N 1 1 458.626 2.897 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293610716 1066126652 /nfs/dbraw/zinc/12/66/52/1066126652.db2.gz FTCASHQBMGHFBD-JOCHJYFZSA-N 1 1 488.652 2.666 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001293611824 1066127060 /nfs/dbraw/zinc/12/70/60/1066127060.db2.gz INXUTYINDKSKHW-BWKNWUBXSA-N 1 1 456.635 2.752 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001293613453 1066130499 /nfs/dbraw/zinc/13/04/99/1066130499.db2.gz RYIXKDAEOTWSNV-WIOPSUGQSA-N 1 1 457.619 2.530 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001293613452 1066130523 /nfs/dbraw/zinc/13/05/23/1066130523.db2.gz RYIXKDAEOTWSNV-RDGATRHJSA-N 1 1 457.619 2.530 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001293616418 1066132840 /nfs/dbraw/zinc/13/28/40/1066132840.db2.gz IJJRXUBQYNIJLK-UXHICEINSA-N 1 1 462.689 2.660 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CCc2c(C)noc2C)CC[N@H+]1CCOC ZINC001293617539 1066134148 /nfs/dbraw/zinc/13/41/48/1066134148.db2.gz TYISKCDCKIBJGD-NRFANRHFSA-N 1 1 453.591 2.658 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2c(C)nn(C)c2C)CC[N@H+]1CCOC ZINC001293619942 1066136885 /nfs/dbraw/zinc/13/68/85/1066136885.db2.gz DUHSXTKKYGYUQI-HXUWFJFHSA-N 1 1 457.648 2.876 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2)CC[N@H+]1CCOC ZINC001293620923 1066137261 /nfs/dbraw/zinc/13/72/61/1066137261.db2.gz JBSNNFXXUYVOGQ-FQEVSTJZSA-N 1 1 471.631 2.633 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293625333 1066140532 /nfs/dbraw/zinc/14/05/32/1066140532.db2.gz DRGRVLRXZIGFDO-XZOQPEGZSA-N 1 1 460.667 2.816 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293634295 1066149671 /nfs/dbraw/zinc/14/96/71/1066149671.db2.gz DNJCAQCCLLSGEW-GGAORHGYSA-N 1 1 498.672 2.793 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293636560 1066154261 /nfs/dbraw/zinc/15/42/61/1066154261.db2.gz DGZUVNSXWRIQLQ-YKSBVNFPSA-N 1 1 475.659 2.581 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2F)CC[N@H+]1CCOC ZINC001293637699 1066155819 /nfs/dbraw/zinc/15/58/19/1066155819.db2.gz YNXKDPKCODEWAD-NRFANRHFSA-N 1 1 485.608 2.883 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293640838 1066157279 /nfs/dbraw/zinc/15/72/79/1066157279.db2.gz UQTVMRQKSNTLRY-PXDATVDWSA-N 1 1 473.618 2.518 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC2(O)CCC2)CC[N@H+]1CCOC ZINC001293641994 1066158127 /nfs/dbraw/zinc/15/81/27/1066158127.db2.gz ZINBVLAPVORNKW-NRFANRHFSA-N 1 1 457.619 2.936 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC(F)(F)F)CC[N@H+]1CCOC ZINC001293643342 1066158406 /nfs/dbraw/zinc/15/84/06/1066158406.db2.gz CMSHIUQUVCSANW-INIZCTEOSA-N 1 1 457.497 2.975 20 0 JFADMO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnnn2C)CC[N@H+]1CCOC ZINC001293645262 1066160558 /nfs/dbraw/zinc/16/05/58/1066160558.db2.gz SWSGHGSLUUWRMM-LJQANCHMSA-N 1 1 470.647 2.603 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001293645678 1066161227 /nfs/dbraw/zinc/16/12/27/1066161227.db2.gz XNFOZKOJNWLIGK-FPOVZHCZSA-N 1 1 488.608 2.554 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2Cc2snnc2C)CC[N@H+]1CCOC ZINC001293645998 1066161367 /nfs/dbraw/zinc/16/13/67/1066161367.db2.gz JVDVFQBKFPRBRG-IBGZPJMESA-N 1 1 471.631 2.921 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293646055 1066161377 /nfs/dbraw/zinc/16/13/77/1066161377.db2.gz JWZGQCIRCCDYBP-KRWDZBQOSA-N 1 1 499.443 2.799 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293647904 1066162453 /nfs/dbraw/zinc/16/24/53/1066162453.db2.gz OEKLMYVBQJYDOX-GGAORHGYSA-N 1 1 484.645 2.581 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293653801 1066166760 /nfs/dbraw/zinc/16/67/60/1066166760.db2.gz QQNBWWJVJDKYTL-LGVFNWMJSA-N 1 1 461.582 2.723 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2F)CC[N@H+]1CCOC ZINC001293660506 1066168331 /nfs/dbraw/zinc/16/83/31/1066168331.db2.gz VGBHLRJIANOXPY-VWPQPMDRSA-N 1 1 461.582 2.737 20 0 JFADMO C[C@H]1C[C@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001293663576 1066168831 /nfs/dbraw/zinc/16/88/31/1066168831.db2.gz LXGRGVLZKFBBCY-NZQKXSOJSA-N 1 1 451.567 2.881 20 0 JFADMO CC/C=C/Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001293667771 1066170155 /nfs/dbraw/zinc/17/01/55/1066170155.db2.gz QSSXXUJDKPEMCH-DUMMIQTOSA-N 1 1 490.450 2.755 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001293744104 1066212193 /nfs/dbraw/zinc/21/21/93/1066212193.db2.gz VXTWBDOUHLKNED-FCHUYYIVSA-N 1 1 497.688 2.865 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[N@@H+](C)CCN1C ZINC001293744585 1066213557 /nfs/dbraw/zinc/21/35/57/1066213557.db2.gz JATZQIVPIRTXCE-KOSHJBKYSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001293744585 1066213571 /nfs/dbraw/zinc/21/35/71/1066213571.db2.gz JATZQIVPIRTXCE-KOSHJBKYSA-N 1 1 450.583 2.666 20 0 JFADMO C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CN(C)CC[N@H+]1C ZINC001293744585 1066213585 /nfs/dbraw/zinc/21/35/85/1066213585.db2.gz JATZQIVPIRTXCE-KOSHJBKYSA-N 1 1 450.583 2.666 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)C1 ZINC001293748949 1066220709 /nfs/dbraw/zinc/22/07/09/1066220709.db2.gz BQYNQTZZXDZXED-GOSISDBHSA-N 1 1 480.617 2.819 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001293762703 1066248384 /nfs/dbraw/zinc/24/83/84/1066248384.db2.gz RACPGGLPDSVTGR-OAQYLSRUSA-N 1 1 487.693 2.911 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001293764015 1066250393 /nfs/dbraw/zinc/25/03/93/1066250393.db2.gz WSCSIALBDYUTOH-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001293773683 1066264156 /nfs/dbraw/zinc/26/41/56/1066264156.db2.gz JWLMPDVISPLZEK-HXUWFJFHSA-N 1 1 453.635 2.881 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293785256 1066284374 /nfs/dbraw/zinc/28/43/74/1066284374.db2.gz MMXGROMBVLVSOU-MZNJEOGPSA-N 1 1 493.027 2.937 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001293789401 1066297488 /nfs/dbraw/zinc/29/74/88/1066297488.db2.gz PSZPNLBBONPNMY-OFVILXPXSA-N 1 1 492.734 2.817 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001293789399 1066297555 /nfs/dbraw/zinc/29/75/55/1066297555.db2.gz PSZPNLBBONPNMY-BWKNWUBXSA-N 1 1 492.734 2.817 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293793595 1066301951 /nfs/dbraw/zinc/30/19/51/1066301951.db2.gz KGEKAKOHHHKGJN-QFIPXVFZSA-N 1 1 483.661 2.507 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001293793594 1066302058 /nfs/dbraw/zinc/30/20/58/1066302058.db2.gz KGEKAKOHHHKGJN-JOCHJYFZSA-N 1 1 483.661 2.507 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293795891 1066303702 /nfs/dbraw/zinc/30/37/02/1066303702.db2.gz WTRJWCFXMCAILV-CJFMBICVSA-N 1 1 489.064 2.722 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001293795892 1066303787 /nfs/dbraw/zinc/30/37/87/1066303787.db2.gz WTRJWCFXMCAILV-CPJSRVTESA-N 1 1 489.064 2.722 20 0 JFADMO CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001293798063 1066308728 /nfs/dbraw/zinc/30/87/28/1066308728.db2.gz OSOOORIHWBIIIE-CJFMBICVSA-N 1 1 454.619 2.776 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001293799976 1066311019 /nfs/dbraw/zinc/31/10/19/1066311019.db2.gz BZZAZUFVEZVVLJ-IIBYNOLFSA-N 1 1 481.439 2.745 20 0 JFADMO CCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293834277 1066339146 /nfs/dbraw/zinc/33/91/46/1066339146.db2.gz HMWNOFRIOVHSKD-RUZDIDTESA-N 1 1 460.667 2.552 20 0 JFADMO CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001293835237 1066339953 /nfs/dbraw/zinc/33/99/53/1066339953.db2.gz LDBYYFQAJKCAFY-RUZDIDTESA-N 1 1 454.619 2.664 20 0 JFADMO CCC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001293840348 1066343844 /nfs/dbraw/zinc/34/38/44/1066343844.db2.gz YWLZAZYHMIUTJU-QHCPKHFHSA-N 1 1 457.648 2.927 20 0 JFADMO Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293862061 1066371639 /nfs/dbraw/zinc/37/16/39/1066371639.db2.gz YTCPGEMNGVFZEO-UHFFFAOYSA-N 1 1 458.990 2.887 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001293865422 1066375711 /nfs/dbraw/zinc/37/57/11/1066375711.db2.gz UEMHULIMDZUVMV-QZNHQXDQSA-N 1 1 495.672 2.882 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001293882875 1066388314 /nfs/dbraw/zinc/38/83/14/1066388314.db2.gz KLEVCPOMYHFHJH-BVZFJXPGSA-N 1 1 467.618 2.614 20 0 JFADMO COc1cc(CCc2cc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886536 1066389667 /nfs/dbraw/zinc/38/96/67/1066389667.db2.gz IPGNQGXLCRHNJZ-VWLOTQADSA-N 1 1 450.539 2.788 20 0 JFADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293892354 1066393058 /nfs/dbraw/zinc/39/30/58/1066393058.db2.gz VYTQPZOQXRZGAY-ROUUACIJSA-N 1 1 454.612 2.691 20 0 JFADMO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293920883 1066400637 /nfs/dbraw/zinc/40/06/37/1066400637.db2.gz BFNLBINQXZKENJ-ICSRJNTNSA-N 1 1 470.684 2.500 20 0 JFADMO C[C@@H](CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C[NH+]1CCOCC1 ZINC001293932139 1066411562 /nfs/dbraw/zinc/41/15/62/1066411562.db2.gz GLRLXLPITSYHOA-IBGZPJMESA-N 1 1 451.567 3.000 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001293933796 1066413471 /nfs/dbraw/zinc/41/34/71/1066413471.db2.gz TWTQKHCXYMFUKO-HBMCJLEFSA-N 1 1 473.666 2.520 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001293933800 1066413977 /nfs/dbraw/zinc/41/39/77/1066413977.db2.gz TWTQKHCXYMFUKO-PWRODBHTSA-N 1 1 473.666 2.520 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945636 1066438303 /nfs/dbraw/zinc/43/83/03/1066438303.db2.gz RDHACSSYXCKFDU-JTHBVZDNSA-N 1 1 482.677 2.715 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001293948315 1066447100 /nfs/dbraw/zinc/44/71/00/1066447100.db2.gz YHARVQFQCPWYMR-HEKZAOSPSA-N 1 1 486.636 2.596 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001293962970 1066462846 /nfs/dbraw/zinc/46/28/46/1066462846.db2.gz RGNHZSLJYCGSII-VQTJNVASSA-N 1 1 459.591 2.688 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001293962970 1066462847 /nfs/dbraw/zinc/46/28/47/1066462847.db2.gz RGNHZSLJYCGSII-VQTJNVASSA-N 1 1 459.591 2.688 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967949 1066467346 /nfs/dbraw/zinc/46/73/46/1066467346.db2.gz YWOYXEJMUWSHID-JFIYKMOQSA-N 1 1 452.393 2.665 20 0 JFADMO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001293990941 1066494473 /nfs/dbraw/zinc/49/44/73/1066494473.db2.gz BDDSZXUTANHOMI-RBUKOAKNSA-N 1 1 455.607 2.930 20 0 JFADMO CCC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001293994919 1066496866 /nfs/dbraw/zinc/49/68/66/1066496866.db2.gz SBBAMVUSCZDQJD-RBUKOAKNSA-N 1 1 461.632 2.915 20 0 JFADMO CCC[C@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001293994919 1066496872 /nfs/dbraw/zinc/49/68/72/1066496872.db2.gz SBBAMVUSCZDQJD-RBUKOAKNSA-N 1 1 461.632 2.915 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2(O)CC[NH+](C)CC2)ccc1Cl ZINC001293997754 1066500071 /nfs/dbraw/zinc/50/00/71/1066500071.db2.gz VYHGJFNHCDRHHW-UHFFFAOYSA-N 1 1 451.976 2.636 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001294003161 1066502668 /nfs/dbraw/zinc/50/26/68/1066502668.db2.gz HGGUIYBELBBRBJ-FPOVZHCZSA-N 1 1 459.639 2.557 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294007377 1066506228 /nfs/dbraw/zinc/50/62/28/1066506228.db2.gz UDBHCLBUKWUMJM-SIKLNZKXSA-N 1 1 473.666 2.628 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(n2)CCCC3)CC[N@H+]1CCOC ZINC001294054328 1066525872 /nfs/dbraw/zinc/52/58/72/1066525872.db2.gz GPQNHMHZHXCCMF-JOCHJYFZSA-N 1 1 483.661 2.676 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC[N@H+]1CCOC ZINC001294054765 1066527225 /nfs/dbraw/zinc/52/72/25/1066527225.db2.gz NJKRCANXOCNDKP-NHCUHLMSSA-N 1 1 484.645 2.920 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@H+]1CCOC ZINC001294059401 1066531881 /nfs/dbraw/zinc/53/18/81/1066531881.db2.gz YDSCICKWDQGBDT-LHQJTOJGSA-N 1 1 484.711 2.823 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1CCOC ZINC001294062111 1066534102 /nfs/dbraw/zinc/53/41/02/1066534102.db2.gz UJKNDZPBQNABBU-OAQYLSRUSA-N 1 1 458.607 2.525 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001294066386 1066536218 /nfs/dbraw/zinc/53/62/18/1066536218.db2.gz HSUJGIKOUOTVRO-UXHICEINSA-N 1 1 479.025 2.736 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294065908 1066536300 /nfs/dbraw/zinc/53/63/00/1066536300.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 1 1 456.635 2.603 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001294066383 1066536381 /nfs/dbraw/zinc/53/63/81/1066536381.db2.gz HSUJGIKOUOTVRO-PMACEKPBSA-N 1 1 479.025 2.736 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294072668 1066542106 /nfs/dbraw/zinc/54/21/06/1066542106.db2.gz HTVXJNBBPDBOSF-NRFANRHFSA-N 1 1 465.602 2.507 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC[N@H+]1CCOC ZINC001294073116 1066542613 /nfs/dbraw/zinc/54/26/13/1066542613.db2.gz KBHOWXSEDPDZGP-QFIPXVFZSA-N 1 1 477.613 2.685 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294076806 1066545978 /nfs/dbraw/zinc/54/59/78/1066545978.db2.gz LISXMOOJQALOPQ-RTBURBONSA-N 1 1 450.534 2.701 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001294078064 1066548013 /nfs/dbraw/zinc/54/80/13/1066548013.db2.gz VKJPLQFAAIMWPR-BWKNWUBXSA-N 1 1 465.602 2.580 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001294082377 1066551345 /nfs/dbraw/zinc/55/13/45/1066551345.db2.gz QVSKTYLEGRRZHF-OTPAQWSUSA-N 1 1 475.634 2.837 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@H+]1CCOC ZINC001294082597 1066551903 /nfs/dbraw/zinc/55/19/03/1066551903.db2.gz MDXWMIUJKILHKV-HOTGVXAUSA-N 1 1 460.545 2.755 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@H+]1CCOC ZINC001294082972 1066552431 /nfs/dbraw/zinc/55/24/31/1066552431.db2.gz UJKMTNSUXJNHKD-DNVFCKCGSA-N 1 1 463.648 2.688 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@H+]1CCOC ZINC001294086831 1066558341 /nfs/dbraw/zinc/55/83/41/1066558341.db2.gz YYNFMZIFZZSVBY-YLJYHZDGSA-N 1 1 491.036 2.877 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@H+]1CCOC ZINC001294086828 1066558375 /nfs/dbraw/zinc/55/83/75/1066558375.db2.gz YYNFMZIFZZSVBY-FXAWDEMLSA-N 1 1 491.036 2.877 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC[N@H+]1CCOC ZINC001294087543 1066559634 /nfs/dbraw/zinc/55/96/34/1066559634.db2.gz UEYKPINVXBJYOR-HBMCJLEFSA-N 1 1 451.656 2.855 20 0 JFADMO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001294089536 1066560960 /nfs/dbraw/zinc/56/09/60/1066560960.db2.gz JVOAQTPYDHCCDE-FQEVSTJZSA-N 1 1 459.612 2.877 20 0 JFADMO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001294089537 1066560995 /nfs/dbraw/zinc/56/09/95/1066560995.db2.gz JVOAQTPYDHCCDE-HXUWFJFHSA-N 1 1 459.612 2.877 20 0 JFADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629584 719089946 /nfs/dbraw/zinc/08/99/46/719089946.db2.gz SRYDUWCHXBYGCW-RBBKRZOGSA-N 1 1 451.571 2.591 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164655237 719324752 /nfs/dbraw/zinc/32/47/52/719324752.db2.gz PDODAQMBRGNOPJ-QQSVUBKYSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21 ZINC001164655237 719324754 /nfs/dbraw/zinc/32/47/54/719324754.db2.gz PDODAQMBRGNOPJ-QQSVUBKYSA-N 1 1 461.610 2.935 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4nccnc4Cl)C3)C2)cc[nH+]1 ZINC001164665937 719357757 /nfs/dbraw/zinc/35/77/57/719357757.db2.gz ZMDIZQHJVJTCJQ-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667817 719426123 /nfs/dbraw/zinc/42/61/23/719426123.db2.gz HIXZVKOQBKGMHB-PMACEKPBSA-N 1 1 468.985 2.916 20 0 JFADMO C[N@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164668229 719439507 /nfs/dbraw/zinc/43/95/07/719439507.db2.gz IVAZGFBACICQMV-WOJBJXKFSA-N 1 1 451.596 2.710 20 0 JFADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164689838 719735873 /nfs/dbraw/zinc/73/58/73/719735873.db2.gz LHGVURJICZXJDN-UHFFFAOYSA-N 1 1 450.921 2.918 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4OCCN(c5ncccn5)[C@H]4C3)c2c1C ZINC001164692907 719800984 /nfs/dbraw/zinc/80/09/84/719800984.db2.gz QLNWXXBQNOSZHZ-ROUUACIJSA-N 1 1 451.600 2.788 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@H](C3)OCCN4c3ncccn3)c2c1C ZINC001164692880 719801011 /nfs/dbraw/zinc/80/10/11/719801011.db2.gz QLNWXXBQNOSZHZ-MSOLQXFVSA-N 1 1 451.600 2.788 20 0 JFADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4c(n2)N2CCC[C@@H]2C(=O)N4C)CC3)cs1 ZINC001164692815 719808863 /nfs/dbraw/zinc/80/88/63/719808863.db2.gz NFBKLBLWSZVVEU-GOSISDBHSA-N 1 1 453.616 2.822 20 0 JFADMO CCOc1cc2ncnc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2cc1OCC ZINC001164700621 719855052 /nfs/dbraw/zinc/85/50/52/719855052.db2.gz IGSQMVWUDBYUQR-XDHUDOTRSA-N 1 1 458.559 2.660 20 0 JFADMO CCOC(=O)c1cc2c(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)[nH]c(C)c(C)c-2n1 ZINC001164701890 719859531 /nfs/dbraw/zinc/85/95/31/719859531.db2.gz LMKPXBYZDHKZKE-XDHUDOTRSA-N 1 1 458.559 2.589 20 0 JFADMO Clc1ncc(N2CCOCC2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164699007 719893029 /nfs/dbraw/zinc/89/30/29/719893029.db2.gz VKMPZTWECBYWQS-UHFFFAOYSA-N 1 1 450.008 2.900 20 0 JFADMO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)[C@@H]2CCCO[C@@H]12 ZINC001164710730 720061877 /nfs/dbraw/zinc/06/18/77/720061877.db2.gz GFZKCIBPDWVBQH-ZHNGQKSSSA-N 1 1 460.619 2.653 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164716898 720110655 /nfs/dbraw/zinc/11/06/55/720110655.db2.gz LHQBMBHUOCRBEG-SFHVURJKSA-N 1 1 459.978 2.748 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164719082 720119469 /nfs/dbraw/zinc/11/94/69/720119469.db2.gz VNICZRHGBCAVCH-FQEVSTJZSA-N 1 1 473.021 2.869 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164713568 720127990 /nfs/dbraw/zinc/12/79/90/720127990.db2.gz SBVGBEVWHFSJID-QFIPXVFZSA-N 1 1 463.582 2.633 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164713095 720131971 /nfs/dbraw/zinc/13/19/71/720131971.db2.gz QPIKOZNRJLZPDQ-NRFANRHFSA-N 1 1 453.587 2.926 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164710412 720144889 /nfs/dbraw/zinc/14/48/89/720144889.db2.gz AZVMKPGIBGRBQX-JOCHJYFZSA-N 1 1 492.624 2.815 20 0 JFADMO COCCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164710844 720153376 /nfs/dbraw/zinc/15/33/76/720153376.db2.gz DTVPBLYFOHWLJW-JOCHJYFZSA-N 1 1 454.571 2.787 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817815 720174275 /nfs/dbraw/zinc/17/42/75/720174275.db2.gz QIMKNWHIBUPJPY-WMZHIEFXSA-N 1 1 450.649 2.733 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820166 720183726 /nfs/dbraw/zinc/18/37/26/720183726.db2.gz ZSDSTVKTMQTGLF-KCWPFWIISA-N 1 1 462.642 2.988 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164812071 720208805 /nfs/dbraw/zinc/20/88/05/720208805.db2.gz KTDHWESHMLEARX-UHFFFAOYSA-N 1 1 489.580 2.866 20 0 JFADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C2)C1 ZINC001164720684 720288148 /nfs/dbraw/zinc/28/81/48/720288148.db2.gz CFBIMQIYUHDHMV-RUZDIDTESA-N 1 1 486.686 2.569 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4sc5c(c43)CCCCC5)C2)C1 ZINC001164720741 720288277 /nfs/dbraw/zinc/28/82/77/720288277.db2.gz CSXIJAZJGDGHFM-XMMPIXPASA-N 1 1 457.644 2.933 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4sc5c(c43)CCCCC5)C2)C1 ZINC001164720741 720288285 /nfs/dbraw/zinc/28/82/85/720288285.db2.gz CSXIJAZJGDGHFM-XMMPIXPASA-N 1 1 457.644 2.933 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccc(OC)c4)nc4ccccc43)C2)C1 ZINC001164720890 720295779 /nfs/dbraw/zinc/29/57/79/720295779.db2.gz FFBJWOQSLUJRMR-MHZLTWQESA-N 1 1 475.593 2.970 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccc(OC)c4)nc4ccccc43)C2)C1 ZINC001164720890 720295785 /nfs/dbraw/zinc/29/57/85/720295785.db2.gz FFBJWOQSLUJRMR-MHZLTWQESA-N 1 1 475.593 2.970 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C2)C1 ZINC001164722365 720299961 /nfs/dbraw/zinc/29/99/61/720299961.db2.gz QGNBRCUYJGBAQP-HSZRJFAPSA-N 1 1 468.583 2.525 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C2)C1 ZINC001164722365 720299973 /nfs/dbraw/zinc/29/99/73/720299973.db2.gz QGNBRCUYJGBAQP-HSZRJFAPSA-N 1 1 468.583 2.525 20 0 JFADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164724519 720320616 /nfs/dbraw/zinc/32/06/16/720320616.db2.gz QSJXOHDVPKYBKJ-HVCNVCAESA-N 1 1 464.610 2.871 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc-2n1 ZINC001164841454 720539273 /nfs/dbraw/zinc/53/92/73/720539273.db2.gz VYJHNMWTOQPJPY-CBGDNZLLSA-N 1 1 452.559 2.932 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(S(N)(=O)=O)cnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840698 720585295 /nfs/dbraw/zinc/58/52/95/720585295.db2.gz QIQSBFWXSWAFSA-RLFYNMQTSA-N 1 1 488.992 2.502 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842235 720590968 /nfs/dbraw/zinc/59/09/68/720590968.db2.gz UVBRUQQWVUJATI-RLFYNMQTSA-N 1 1 452.937 2.953 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835555 720611626 /nfs/dbraw/zinc/61/16/26/720611626.db2.gz BFLHAQXZDFNWEX-JAXLGGSGSA-N 1 1 473.021 2.782 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164835618 720612559 /nfs/dbraw/zinc/61/25/59/720612559.db2.gz BUSBROXTYNPOGP-QZNHQXDQSA-N 1 1 474.675 2.980 20 0 JFADMO CC[C@@H]1N(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CCC[C@@]12CCC(=O)N2 ZINC001164847472 720753502 /nfs/dbraw/zinc/75/35/02/720753502.db2.gz MOOFOSGANXKHIO-JJHGTGHCSA-N 1 1 471.646 2.908 20 0 JFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741654 720801428 /nfs/dbraw/zinc/80/14/28/720801428.db2.gz BPFIKONTIXKOPM-KBPBESRZSA-N 1 1 454.865 2.504 20 0 JFADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741663 720801564 /nfs/dbraw/zinc/80/15/64/720801564.db2.gz BPFIKONTIXKOPM-UONOGXRCSA-N 1 1 454.865 2.504 20 0 JFADMO COC[C@]12CCCO[C@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164850390 720827165 /nfs/dbraw/zinc/82/71/65/720827165.db2.gz SVJRFZMZJWCMPS-NDIWIEOSSA-N 1 1 474.646 2.902 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744559 720828235 /nfs/dbraw/zinc/82/82/35/720828235.db2.gz VFFHBEHPZRQNOD-GVDBMIGSSA-N 1 1 492.049 3.000 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744555 720828447 /nfs/dbraw/zinc/82/84/47/720828447.db2.gz VFFHBEHPZRQNOD-BRWVUGGUSA-N 1 1 492.049 3.000 20 0 JFADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737991 720828450 /nfs/dbraw/zinc/82/84/50/720828450.db2.gz DBQBPOPIJJKACM-QKNQBKEWSA-N 1 1 451.575 2.502 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2c1 ZINC001164743989 720829103 /nfs/dbraw/zinc/82/91/03/720829103.db2.gz SXEKLTNNZQOPFO-TXTKFYIRSA-N 1 1 461.570 2.777 20 0 JFADMO COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2cc1OC ZINC001164741601 720829476 /nfs/dbraw/zinc/82/94/76/720829476.db2.gz NZSLCEOEXDXXHF-CNNODRBYSA-N 1 1 463.586 2.926 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164745763 720839227 /nfs/dbraw/zinc/83/92/27/720839227.db2.gz NGDMGAABSQSOQK-YQVWRLOYSA-N 1 1 467.599 2.839 20 0 JFADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745228 720840670 /nfs/dbraw/zinc/84/06/70/720840670.db2.gz MYCYMCHVVRCXSG-SGIRGMQISA-N 1 1 488.640 2.987 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@H]2C1 ZINC001164854287 720842115 /nfs/dbraw/zinc/84/21/15/720842115.db2.gz RCKFTPOIBVRFAE-FPOVZHCZSA-N 1 1 458.990 2.839 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@@H]2C1 ZINC001164854286 720842334 /nfs/dbraw/zinc/84/23/34/720842334.db2.gz RCKFTPOIBVRFAE-CTNGQTDRSA-N 1 1 458.990 2.839 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164753606 720853392 /nfs/dbraw/zinc/85/33/92/720853392.db2.gz YQFMYUPPGLPOLV-AWRGLXIESA-N 1 1 456.598 2.998 20 0 JFADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@@H]2C1 ZINC001164858416 720864181 /nfs/dbraw/zinc/86/41/81/720864181.db2.gz SAHSMHODOZWAFV-DENIHFKCSA-N 1 1 474.627 2.511 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@H]2C1 ZINC001164858435 720864476 /nfs/dbraw/zinc/86/44/76/720864476.db2.gz SAHSMHODOZWAFV-UGKGYDQZSA-N 1 1 474.627 2.511 20 0 JFADMO NC(=O)c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755826 720874813 /nfs/dbraw/zinc/87/48/13/720874813.db2.gz ZBKBARBIOVOIGB-CYFREDJKSA-N 1 1 455.990 2.984 20 0 JFADMO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164756016 720882877 /nfs/dbraw/zinc/88/28/77/720882877.db2.gz OCNXPTJFVPQAGH-CPJSRVTESA-N 1 1 496.637 2.512 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753375 720896736 /nfs/dbraw/zinc/89/67/36/720896736.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 1 1 476.669 2.984 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753375 720896738 /nfs/dbraw/zinc/89/67/38/720896738.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 1 1 476.669 2.984 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753371 720896761 /nfs/dbraw/zinc/89/67/61/720896761.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 1 1 476.669 2.984 20 0 JFADMO CN1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753371 720896762 /nfs/dbraw/zinc/89/67/62/720896762.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 1 1 476.669 2.984 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164756320 720898228 /nfs/dbraw/zinc/89/82/28/720898228.db2.gz PSDCFZXNKJEYSS-UFHPHHKVSA-N 1 1 489.620 2.881 20 0 JFADMO COC(=O)c1cc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2n1C ZINC001164753180 720907258 /nfs/dbraw/zinc/90/72/58/720907258.db2.gz QTIBFWKXSWQVJN-CUNXSJBXSA-N 1 1 490.608 2.905 20 0 JFADMO CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754603 720923543 /nfs/dbraw/zinc/92/35/43/720923543.db2.gz WECYMQKSICEYQB-OZXSUGGESA-N 1 1 465.598 2.865 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752948 720925272 /nfs/dbraw/zinc/92/52/72/720925272.db2.gz PNNNVBGKPYHCQA-WMZHIEFXSA-N 1 1 492.045 2.533 20 0 JFADMO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)C1 ZINC001164859692 721005443 /nfs/dbraw/zinc/00/54/43/721005443.db2.gz LKLFLHXRQDJPSF-MOPGFXCFSA-N 1 1 455.607 2.874 20 0 JFADMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164757365 721017243 /nfs/dbraw/zinc/01/72/43/721017243.db2.gz DMRUMLNGBFTKTM-VEXUSMLFSA-N 1 1 465.598 2.592 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164871434 721070808 /nfs/dbraw/zinc/07/08/08/721070808.db2.gz YVMQJRGWAWLRDL-IAGOWNOFSA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164764464 721074899 /nfs/dbraw/zinc/07/48/99/721074899.db2.gz HUAJXEOUMRKIOL-OALUTQOASA-N 1 1 459.554 2.751 20 0 JFADMO c1ccc(CN2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079280 /nfs/dbraw/zinc/07/92/80/721079280.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 1 1 456.594 2.910 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)n1 ZINC001164863559 721083154 /nfs/dbraw/zinc/08/31/54/721083154.db2.gz CVGIEMVRMWJQPC-JKSUJKDBSA-N 1 1 452.889 2.941 20 0 JFADMO Cc1cc2c(ncnc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164772707 721094976 /nfs/dbraw/zinc/09/49/76/721094976.db2.gz VWBURWQRYRAFSD-NHCUHLMSSA-N 1 1 491.621 2.669 20 0 JFADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865191 721099524 /nfs/dbraw/zinc/09/95/24/721099524.db2.gz JLVWZGNYNOALMA-GJZGRUSLSA-N 1 1 452.342 2.835 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)ncc4C(=O)OCC4CC4)C[C@H]3C2)cn1 ZINC001164773254 721112976 /nfs/dbraw/zinc/11/29/76/721112976.db2.gz XNZWVZYBODJHGP-DLBZAZTESA-N 1 1 480.947 2.934 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)C[C@H]3C2)cn1 ZINC001164774070 721126959 /nfs/dbraw/zinc/12/69/59/721126959.db2.gz ZUODLXPRUWZHHA-KURKYZTESA-N 1 1 456.982 2.871 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164774129 721134610 /nfs/dbraw/zinc/13/46/10/721134610.db2.gz ZURVDPAGWBHRLT-RBUKOAKNSA-N 1 1 451.575 2.670 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)nn3)CC2)cc1 ZINC001164877004 721147602 /nfs/dbraw/zinc/14/76/02/721147602.db2.gz NPKYDEKHIKQJQZ-RPBOFIJWSA-N 1 1 471.609 2.678 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164774335 721174451 /nfs/dbraw/zinc/17/44/51/721174451.db2.gz YJKJTPTYHZKYMH-MSOLQXFVSA-N 1 1 454.575 2.545 20 0 JFADMO CNC(=O)[C@@]12CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866764 721203780 /nfs/dbraw/zinc/20/37/80/721203780.db2.gz CRPAAWJEYAEAMZ-CUBQBAPOSA-N 1 1 483.620 2.651 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4ccc(Cl)cc43)CC2)C1 ZINC001164879804 721261473 /nfs/dbraw/zinc/26/14/73/721261473.db2.gz ZGFIYUDOBRNOPV-UHFFFAOYSA-N 1 1 452.386 2.944 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC2)C1 ZINC001164873615 721284223 /nfs/dbraw/zinc/28/42/23/721284223.db2.gz PCGRRHWGMCRRJT-UHFFFAOYSA-N 1 1 494.974 2.744 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccncc4)nc4sccc43)CC2)C1 ZINC001164879688 721289534 /nfs/dbraw/zinc/28/95/34/721289534.db2.gz ZIZAPCFEZLYSOB-UHFFFAOYSA-N 1 1 466.611 2.760 20 0 JFADMO COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164877155 721293542 /nfs/dbraw/zinc/29/35/42/721293542.db2.gz LRKNZQPHXPTAND-UHFFFAOYSA-N 1 1 490.004 2.938 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)nc1 ZINC001164877233 721323538 /nfs/dbraw/zinc/32/35/38/721323538.db2.gz KLVAMYALCSZGOJ-IEEQIXEPSA-N 1 1 450.587 2.832 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)nc1 ZINC001164877234 721323693 /nfs/dbraw/zinc/32/36/93/721323693.db2.gz KLVAMYALCSZGOJ-VDEHWKIFSA-N 1 1 450.587 2.832 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164780303 721366717 /nfs/dbraw/zinc/36/67/17/721366717.db2.gz FVRZUKOAZCCGLC-RUZDIDTESA-N 1 1 484.601 2.715 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc2C1 ZINC001164780303 721366720 /nfs/dbraw/zinc/36/67/20/721366720.db2.gz FVRZUKOAZCCGLC-RUZDIDTESA-N 1 1 484.601 2.715 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781444 721376975 /nfs/dbraw/zinc/37/69/75/721376975.db2.gz JSNZPPPFUYJQFC-QFIPXVFZSA-N 1 1 462.982 2.604 20 0 JFADMO CCNC(=O)c1cc(Cl)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164781444 721376977 /nfs/dbraw/zinc/37/69/77/721376977.db2.gz JSNZPPPFUYJQFC-QFIPXVFZSA-N 1 1 462.982 2.604 20 0 JFADMO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1Cl ZINC001164891868 721384410 /nfs/dbraw/zinc/38/44/10/721384410.db2.gz QZWLTPJLLLJYMH-IIBYNOLFSA-N 1 1 487.979 2.617 20 0 JFADMO COCCOc1cc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2cc1OCCOC ZINC001164789946 721397617 /nfs/dbraw/zinc/39/76/17/721397617.db2.gz VMCCYPPFBPDMOQ-QZTJIDSGSA-N 1 1 485.610 2.705 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cnc1Cl ZINC001164890995 721400554 /nfs/dbraw/zinc/40/05/54/721400554.db2.gz UWSQFTLWYASXSX-LAUBAEHRSA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164888907 721407873 /nfs/dbraw/zinc/40/78/73/721407873.db2.gz PDRJXAUMZUHLCP-KKSFZXQISA-N 1 1 472.964 2.832 20 0 JFADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891985 721408077 /nfs/dbraw/zinc/40/80/77/721408077.db2.gz XTYFOUODWAGSFO-IERDGZPVSA-N 1 1 472.964 2.832 20 0 JFADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164892900 721409441 /nfs/dbraw/zinc/40/94/41/721409441.db2.gz ZBDRHQNWQZKFEY-MBSDFSHPSA-N 1 1 451.011 2.986 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C3)O2)CC1 ZINC001164892573 721410076 /nfs/dbraw/zinc/41/00/76/721410076.db2.gz YWJMRATYNYXHAJ-XLNZFTOWSA-N 1 1 490.052 2.944 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164892427 721411709 /nfs/dbraw/zinc/41/17/09/721411709.db2.gz YDSKEUHFFZSEOB-CPJSRVTESA-N 1 1 453.587 2.572 20 0 JFADMO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1 ZINC001164892431 721412232 /nfs/dbraw/zinc/41/22/32/721412232.db2.gz YDSKEUHFFZSEOB-NLFFAJNJSA-N 1 1 453.587 2.572 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)O2)CC1 ZINC001164891943 721421294 /nfs/dbraw/zinc/42/12/94/721421294.db2.gz WTNCGVADMKWAOD-KKSFZXQISA-N 1 1 466.964 2.989 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164791115 721421706 /nfs/dbraw/zinc/42/17/06/721421706.db2.gz ZNWHQUTWFJFIAL-IYBDPMFKSA-N 1 1 457.581 2.697 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164791115 721421709 /nfs/dbraw/zinc/42/17/09/721421709.db2.gz ZNWHQUTWFJFIAL-IYBDPMFKSA-N 1 1 457.581 2.697 20 0 JFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164897349 721426832 /nfs/dbraw/zinc/42/68/32/721426832.db2.gz SZDXFTBMEUYNMV-QHEGARSSSA-N 1 1 453.587 2.515 20 0 JFADMO CC1CCN(C(=O)c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2)CC1 ZINC001164898604 721433802 /nfs/dbraw/zinc/43/38/02/721433802.db2.gz WEJNDIBNYVMRGZ-ZEQKJWHPSA-N 1 1 455.647 2.719 20 0 JFADMO CC1CCN(C(=O)c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2)CC1 ZINC001164898600 721434099 /nfs/dbraw/zinc/43/40/99/721434099.db2.gz WEJNDIBNYVMRGZ-OZXSUGGESA-N 1 1 455.647 2.719 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001164890257 721434252 /nfs/dbraw/zinc/43/42/52/721434252.db2.gz CUTSNJCSYUCKBO-BKMJKUGQSA-N 1 1 455.647 2.719 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C3)O2)CC1 ZINC001164895364 721438692 /nfs/dbraw/zinc/43/86/92/721438692.db2.gz NYZONTPGKWEXEP-HTAPYJJXSA-N 1 1 492.049 2.604 20 0 JFADMO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(NC(=O)c2ccccc2)n1 ZINC001164898702 721444338 /nfs/dbraw/zinc/44/43/38/721444338.db2.gz WPEGRNUBZFENPJ-ATIYNZHBSA-N 1 1 464.614 2.803 20 0 JFADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164784407 721464684 /nfs/dbraw/zinc/46/46/84/721464684.db2.gz HUHKTTBOHVFOEH-SFHVURJKSA-N 1 1 466.026 2.693 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164786468 721467569 /nfs/dbraw/zinc/46/75/69/721467569.db2.gz BKEKGQAODGBDLT-OAQYLSRUSA-N 1 1 480.675 2.502 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904673 721541381 /nfs/dbraw/zinc/54/13/81/721541381.db2.gz FXRNUNGTGPYYSU-NVXWUHKLSA-N 1 1 474.924 2.524 20 0 JFADMO CCOC(=O)C1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164908788 721542939 /nfs/dbraw/zinc/54/29/39/721542939.db2.gz QNSURQQLNBTYPX-RBBKRZOGSA-N 1 1 469.561 2.737 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164807276 721563765 /nfs/dbraw/zinc/56/37/65/721563765.db2.gz SFWRGIRTJVUNKN-SQNIBIBYSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)[nH]1 ZINC001164807276 721563768 /nfs/dbraw/zinc/56/37/68/721563768.db2.gz SFWRGIRTJVUNKN-SQNIBIBYSA-N 1 1 456.934 2.661 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(=O)OCC ZINC001164907005 721568050 /nfs/dbraw/zinc/56/80/50/721568050.db2.gz LTZCWGWFYGTXCP-MJGOQNOKSA-N 1 1 457.502 2.916 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164809361 721568795 /nfs/dbraw/zinc/56/87/95/721568795.db2.gz WOXFYWHHVPYQQY-BDTNDASRSA-N 1 1 453.587 2.822 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164809361 721568796 /nfs/dbraw/zinc/56/87/96/721568796.db2.gz WOXFYWHHVPYQQY-BDTNDASRSA-N 1 1 453.587 2.822 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@H]2C1=O ZINC001164905538 721575167 /nfs/dbraw/zinc/57/51/67/721575167.db2.gz ZVDIJXUVOIARDL-IEBWSBKVSA-N 1 1 469.655 2.953 20 0 JFADMO COC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C(=O)OC ZINC001164904138 721587023 /nfs/dbraw/zinc/58/70/23/721587023.db2.gz DHZGTEIZKKIWHF-JOCHJYFZSA-N 1 1 460.481 2.788 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810208 721590362 /nfs/dbraw/zinc/59/03/62/721590362.db2.gz VCUJHEVSMNYZJP-YCPHGPKFSA-N 1 1 452.342 2.833 20 0 JFADMO COC(=O)c1nc(Cl)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164810208 721590364 /nfs/dbraw/zinc/59/03/64/721590364.db2.gz VCUJHEVSMNYZJP-YCPHGPKFSA-N 1 1 452.342 2.833 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnccn3)[C@@H]3COC[C@H]32)n1 ZINC001164802065 721598838 /nfs/dbraw/zinc/59/88/38/721598838.db2.gz QNNUAEXBHPFGJO-YTQUADARSA-N 1 1 481.626 2.574 20 0 JFADMO CCNS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907018 721712255 /nfs/dbraw/zinc/71/22/55/721712255.db2.gz PKQHGBWHWSFHLM-HXUWFJFHSA-N 1 1 451.543 2.513 20 0 JFADMO COC(=O)c1cc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2n1C ZINC001164906233 721721412 /nfs/dbraw/zinc/72/14/12/721721412.db2.gz LKZZPDGYCPJEIJ-JOCHJYFZSA-N 1 1 456.497 2.888 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910488 721759860 /nfs/dbraw/zinc/75/98/60/721759860.db2.gz GPZRVODFCJBMRS-MGBGTMOVSA-N 1 1 469.567 2.573 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910488 721759865 /nfs/dbraw/zinc/75/98/65/721759865.db2.gz GPZRVODFCJBMRS-MGBGTMOVSA-N 1 1 469.567 2.573 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015563 721766158 /nfs/dbraw/zinc/76/61/58/721766158.db2.gz RAOUVATZEPFIEA-JOCHJYFZSA-N 1 1 476.629 2.941 20 0 JFADMO COc1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164910267 721766973 /nfs/dbraw/zinc/76/69/73/721766973.db2.gz AZPHHWSRCZCTGN-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO COc1ccc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164910267 721766989 /nfs/dbraw/zinc/76/69/89/721766989.db2.gz AZPHHWSRCZCTGN-HSZRJFAPSA-N 1 1 455.946 2.795 20 0 JFADMO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001165020135 721784028 /nfs/dbraw/zinc/78/40/28/721784028.db2.gz MENBKZKVOHHFDV-AREMUKBSSA-N 1 1 455.566 2.848 20 0 JFADMO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001165020135 721784033 /nfs/dbraw/zinc/78/40/33/721784033.db2.gz MENBKZKVOHHFDV-AREMUKBSSA-N 1 1 455.566 2.848 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916064 721788138 /nfs/dbraw/zinc/78/81/38/721788138.db2.gz ORDXJQRVLIGSSU-AREMUKBSSA-N 1 1 489.555 2.517 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916064 721788146 /nfs/dbraw/zinc/78/81/46/721788146.db2.gz ORDXJQRVLIGSSU-AREMUKBSSA-N 1 1 489.555 2.517 20 0 JFADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915543 721790471 /nfs/dbraw/zinc/79/04/71/721790471.db2.gz LACLBPHYPPYFEP-QFIPXVFZSA-N 1 1 457.966 2.563 20 0 JFADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915543 721790473 /nfs/dbraw/zinc/79/04/73/721790473.db2.gz LACLBPHYPPYFEP-QFIPXVFZSA-N 1 1 457.966 2.563 20 0 JFADMO CC(C)(C)OC(=O)Nc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2[nH]cnc21 ZINC001164915685 721792568 /nfs/dbraw/zinc/79/25/68/721792568.db2.gz XPPHRYOPCUVZQG-VWLOTQADSA-N 1 1 495.584 2.808 20 0 JFADMO CC(C)(C)OC(=O)Nc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2[nH]cnc21 ZINC001164915685 721792570 /nfs/dbraw/zinc/79/25/70/721792570.db2.gz XPPHRYOPCUVZQG-VWLOTQADSA-N 1 1 495.584 2.808 20 0 JFADMO COc1cc2c[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)cc2cc1OC ZINC001164913193 721796445 /nfs/dbraw/zinc/79/64/45/721796445.db2.gz AVJKGZTXFJOWME-VWLOTQADSA-N 1 1 450.539 2.755 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@@H]21 ZINC001165028132 721818630 /nfs/dbraw/zinc/81/86/30/721818630.db2.gz WLAKZLQSBQFDRG-BAGYTPMASA-N 1 1 455.628 2.998 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@@H]21 ZINC001165025098 721823836 /nfs/dbraw/zinc/82/38/36/721823836.db2.gz LPOASMLFWLGZSW-WTIAFYNJSA-N 1 1 455.628 2.998 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(C3)COCCN(c3ncc(F)cn3)C4)c2)CC1 ZINC001164924205 721846596 /nfs/dbraw/zinc/84/65/96/721846596.db2.gz XGSZENCUNGRGOQ-DEOSSOPVSA-N 1 1 456.566 2.607 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164931735 721854216 /nfs/dbraw/zinc/85/42/16/721854216.db2.gz VNIVOMUIFMCHEK-WOJBJXKFSA-N 1 1 489.045 2.845 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001164931735 721854218 /nfs/dbraw/zinc/85/42/18/721854218.db2.gz VNIVOMUIFMCHEK-WOJBJXKFSA-N 1 1 489.045 2.845 20 0 JFADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001165034977 721875939 /nfs/dbraw/zinc/87/59/39/721875939.db2.gz RNRFDSXSXLRJKY-DOTOQJQBSA-N 1 1 471.627 2.670 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165036345 721915624 /nfs/dbraw/zinc/91/56/24/721915624.db2.gz BVIYOTDFONTRTM-RCCFBDPRSA-N 1 1 464.561 2.527 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(S(N)(=O)=O)cc4Cl)CC3)C2)cc1 ZINC001164940422 721925503 /nfs/dbraw/zinc/92/55/03/721925503.db2.gz QCHFHRFTVOYSKK-UHFFFAOYSA-N 1 1 450.992 2.562 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950878 721999982 /nfs/dbraw/zinc/99/99/82/721999982.db2.gz LFTXGEKZPXHRRS-PUHATCMVSA-N 1 1 476.606 2.658 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164950878 721999988 /nfs/dbraw/zinc/99/99/88/721999988.db2.gz LFTXGEKZPXHRRS-PUHATCMVSA-N 1 1 476.606 2.658 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955926 722019197 /nfs/dbraw/zinc/01/91/97/722019197.db2.gz SZKFOSNVQHJQNP-UHFFFAOYSA-N 1 1 469.977 2.930 20 0 JFADMO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164956037 722020676 /nfs/dbraw/zinc/02/06/76/722020676.db2.gz UUZYCKGMYWDEMW-UHFFFAOYSA-N 1 1 471.961 2.815 20 0 JFADMO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]23)cn1 ZINC001164956690 722031075 /nfs/dbraw/zinc/03/10/75/722031075.db2.gz IDISEGMPSSPDPE-GNKBHMEESA-N 1 1 486.620 2.645 20 0 JFADMO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164982374 722092622 /nfs/dbraw/zinc/09/26/22/722092622.db2.gz QAFNJXHZCMRILJ-GIFXNVAJSA-N 1 1 472.593 2.540 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4nccn4C)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164979495 722093391 /nfs/dbraw/zinc/09/33/91/722093391.db2.gz KLTKARSKJVNRQX-UEXGIBASSA-N 1 1 495.653 2.804 20 0 JFADMO Cn1cc(N2C[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2=O)cn1 ZINC001164973612 722095537 /nfs/dbraw/zinc/09/55/37/722095537.db2.gz BELJHLONLCODSA-LPHOPBHVSA-N 1 1 477.638 2.999 20 0 JFADMO c1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980699 722105268 /nfs/dbraw/zinc/10/52/68/722105268.db2.gz JYDSZVHWVMTBDF-PZJWPPBQSA-N 1 1 466.611 2.650 20 0 JFADMO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980300 722133616 /nfs/dbraw/zinc/13/36/16/722133616.db2.gz MPLCKHQILDRGBQ-DENIHFKCSA-N 1 1 453.587 2.681 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983778 722134975 /nfs/dbraw/zinc/13/49/75/722134975.db2.gz UURUVPIHAMPOFX-REWPJTCUSA-N 1 1 495.605 2.795 20 0 JFADMO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)CC2)cc1 ZINC001164984234 722142562 /nfs/dbraw/zinc/14/25/62/722142562.db2.gz WPCCQCGWGLCOCU-RSXGOPAZSA-N 1 1 485.636 2.926 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976073 722144171 /nfs/dbraw/zinc/14/41/71/722144171.db2.gz GZEWJAAICWPOKU-IFMALSPDSA-N 1 1 473.643 2.671 20 0 JFADMO Clc1nnc(Cl)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973182 722158634 /nfs/dbraw/zinc/15/86/34/722158634.db2.gz LRJHFYDLCRUHRF-ROUUACIJSA-N 1 1 479.412 2.742 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)c2)CC1 ZINC001164992008 722187286 /nfs/dbraw/zinc/18/72/86/722187286.db2.gz RHWDRYYGUZJIRX-NOZRDPDXSA-N 1 1 470.639 2.737 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c2ncn4Cc2ccccc2)CC3)CC1 ZINC001164997043 722231820 /nfs/dbraw/zinc/23/18/20/722231820.db2.gz MLOXHMMGJWKRHW-UHFFFAOYSA-N 1 1 490.015 2.675 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(-c4cccnc4)n2)CC3)CC1 ZINC001165001081 722236986 /nfs/dbraw/zinc/23/69/86/722236986.db2.gz BKRQIOIWYXFSMA-UHFFFAOYSA-N 1 1 486.958 2.884 20 0 JFADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(C4)COCCN(c4ncccn4)C5)ccc3C2)cc1 ZINC001165005909 722246483 /nfs/dbraw/zinc/24/64/83/722246483.db2.gz VWXKFQXDPAVDSC-MHZLTWQESA-N 1 1 472.593 2.542 20 0 JFADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297580 1059476071 /nfs/dbraw/zinc/47/60/71/1059476071.db2.gz UJJAMBWDNTZHNN-HKUYNNGSSA-N 1 1 489.432 2.502 20 0 JFADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC001264953334 1059737496 /nfs/dbraw/zinc/73/74/96/1059737496.db2.gz BIQHZMLDOKDEPL-UHFFFAOYSA-N 1 1 450.461 2.890 20 0 JFADMO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001264960859 1059740480 /nfs/dbraw/zinc/74/04/80/1059740480.db2.gz FVQPMSALEZYMNP-LJQANCHMSA-N 1 1 451.995 2.906 20 0 JFADMO C[C@H](c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1)[NH+]1CCOCC1 ZINC001265035170 1059756173 /nfs/dbraw/zinc/75/61/73/1059756173.db2.gz VQFYIXBANYJQRK-GYCJOSAFSA-N 1 1 454.502 2.625 20 0 JFADMO Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265064051 1059760234 /nfs/dbraw/zinc/76/02/34/1059760234.db2.gz VSFSJMOCABTWHR-SFHVURJKSA-N 1 1 455.509 2.637 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)CC2)CC1 ZINC001265122659 1059771705 /nfs/dbraw/zinc/77/17/05/1059771705.db2.gz OSIIKQLHRSQVLY-UHFFFAOYSA-N 1 1 456.631 2.869 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001265241329 1059803692 /nfs/dbraw/zinc/80/36/92/1059803692.db2.gz SGCOWHLLAFDHAF-CTNGQTDRSA-N 1 1 459.587 2.959 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC001265241329 1059803708 /nfs/dbraw/zinc/80/37/08/1059803708.db2.gz SGCOWHLLAFDHAF-CTNGQTDRSA-N 1 1 459.587 2.959 20 0 JFADMO CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247641 1059805779 /nfs/dbraw/zinc/80/57/79/1059805779.db2.gz PALQDRQWCGSUSK-NFBKMPQASA-N 1 1 450.539 2.605 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265247169 1059806269 /nfs/dbraw/zinc/80/62/69/1059806269.db2.gz LPEQLLWMIYWCPW-UNMCSNQZSA-N 1 1 455.603 2.719 20 0 JFADMO CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001265393722 1059841158 /nfs/dbraw/zinc/84/11/58/1059841158.db2.gz GRMUJHSJQJDXHG-NHCUHLMSSA-N 1 1 450.583 2.765 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(F)c(COCCOC)c3)cc2)CC1 ZINC001265681202 1059909797 /nfs/dbraw/zinc/90/97/97/1059909797.db2.gz KDTVFGRZQDPUOW-UHFFFAOYSA-N 1 1 457.546 2.948 20 0 JFADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000616159180 1059921312 /nfs/dbraw/zinc/92/13/12/1059921312.db2.gz MZCGHVBIBVRELV-JOCHJYFZSA-N 1 1 458.553 2.648 20 0 JFADMO CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2S1(=O)=O ZINC001265829028 1059931086 /nfs/dbraw/zinc/93/10/86/1059931086.db2.gz XUIPZGWSQPCAIK-FQEVSTJZSA-N 1 1 455.580 2.976 20 0 JFADMO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265836853 1059933138 /nfs/dbraw/zinc/93/31/38/1059933138.db2.gz QCDMQAZERUSZDV-PKTZIBPZSA-N 1 1 459.612 2.783 20 0 JFADMO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265836853 1059933157 /nfs/dbraw/zinc/93/31/57/1059933157.db2.gz QCDMQAZERUSZDV-PKTZIBPZSA-N 1 1 459.612 2.783 20 0 JFADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1Br ZINC001279577371 1059984619 /nfs/dbraw/zinc/98/46/19/1059984619.db2.gz HLFDUHZNQWRLEH-INIZCTEOSA-N 1 1 458.422 2.836 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)C1 ZINC001286843828 1061125618 /nfs/dbraw/zinc/12/56/18/1061125618.db2.gz AJXHSPHSJLELDM-HXUWFJFHSA-N 1 1 470.618 2.751 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286846286 1061148208 /nfs/dbraw/zinc/14/82/08/1061148208.db2.gz XRDZDLKDPSGOBU-WSTZPKSXSA-N 1 1 490.052 2.797 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286850626 1061179547 /nfs/dbraw/zinc/17/95/47/1061179547.db2.gz HQHKHBTYQXVRTF-AOHZBQACSA-N 1 1 482.673 2.981 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286852969 1061193020 /nfs/dbraw/zinc/19/30/20/1061193020.db2.gz VWNOFVYYKYWJTK-AEFFLSMTSA-N 1 1 460.573 2.934 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001286853918 1061201344 /nfs/dbraw/zinc/20/13/44/1061201344.db2.gz HBHTVSLCYQXAQM-JHMKDJTOSA-N 1 1 460.667 2.984 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001286853919 1061201482 /nfs/dbraw/zinc/20/14/82/1061201482.db2.gz HBHTVSLCYQXAQM-RGMHLJPOSA-N 1 1 460.667 2.984 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001289587105 1061231109 /nfs/dbraw/zinc/23/11/09/1061231109.db2.gz VWYYPWIOQLLMJU-CMKODMSKSA-N 1 1 478.663 2.733 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289587182 1061231680 /nfs/dbraw/zinc/23/16/80/1061231680.db2.gz WOAFFEGQBRLEBI-SFTDATJTSA-N 1 1 472.634 2.944 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289593946 1061236046 /nfs/dbraw/zinc/23/60/46/1061236046.db2.gz JMSMOVSCLUBZKA-HXUWFJFHSA-N 1 1 458.607 2.508 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)n2CCC[N@H+](C)C(C)C)o1 ZINC001289595597 1061238645 /nfs/dbraw/zinc/23/86/45/1061238645.db2.gz NXEFLULUIQAGLR-HSZRJFAPSA-N 1 1 479.629 2.925 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC001289600779 1061245273 /nfs/dbraw/zinc/24/52/73/1061245273.db2.gz QRROVRDXXWLIAD-FQEVSTJZSA-N 1 1 458.607 2.652 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001286867664 1061253826 /nfs/dbraw/zinc/25/38/26/1061253826.db2.gz SVZYLSYDVDMXMZ-YZUZCNPQSA-N 1 1 495.672 2.774 20 0 JFADMO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001286867662 1061253918 /nfs/dbraw/zinc/25/39/18/1061253918.db2.gz SVZYLSYDVDMXMZ-AWRGLXIESA-N 1 1 495.672 2.774 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001286868467 1061257358 /nfs/dbraw/zinc/25/73/58/1061257358.db2.gz AISQVDFVZKWLGA-HYBUGGRVSA-N 1 1 454.619 2.661 20 0 JFADMO CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286869188 1061261080 /nfs/dbraw/zinc/26/10/80/1061261080.db2.gz RSCIUKVLZITAAQ-OYRHEFFESA-N 1 1 453.635 2.691 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001286869457 1061261904 /nfs/dbraw/zinc/26/19/04/1061261904.db2.gz FAYHULUYWFRUMU-WUWPSDSASA-N 1 1 492.734 2.862 20 0 JFADMO CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286869779 1061263768 /nfs/dbraw/zinc/26/37/68/1061263768.db2.gz ZIOQQVVMYSWYCP-XPWALMASSA-N 1 1 490.693 2.612 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870277 1061264447 /nfs/dbraw/zinc/26/44/47/1061264447.db2.gz INKOBRQZTYOKER-URXFXBBRSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001286870488 1061266094 /nfs/dbraw/zinc/26/60/94/1061266094.db2.gz IPPCZPOCXWOCPS-ZJSXRUAMSA-N 1 1 495.672 2.547 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)s1 ZINC001289634322 1061266993 /nfs/dbraw/zinc/26/69/93/1061266993.db2.gz CWPSQBFHKQICQK-RDJZCZTQSA-N 1 1 454.666 2.627 20 0 JFADMO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)s1 ZINC001289634320 1061267027 /nfs/dbraw/zinc/26/70/27/1061267027.db2.gz CWPSQBFHKQICQK-DOTOQJQBSA-N 1 1 454.666 2.627 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@@H]2C)CC1 ZINC001286870818 1061268121 /nfs/dbraw/zinc/26/81/21/1061268121.db2.gz KNCBXTSSONRKQR-FXAWDEMLSA-N 1 1 477.057 2.505 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870891 1061268847 /nfs/dbraw/zinc/26/88/47/1061268847.db2.gz LMQYRHWLEZJRGA-ACIOBRDBSA-N 1 1 476.666 2.571 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@@H]2C)CC1 ZINC001286871722 1061275076 /nfs/dbraw/zinc/27/50/76/1061275076.db2.gz PHVKVIHIPRBNJP-NZQKXSOJSA-N 1 1 487.693 2.766 20 0 JFADMO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)s1 ZINC001289650770 1061275275 /nfs/dbraw/zinc/27/52/75/1061275275.db2.gz DZBBOUJGPNWTNR-UHFFFAOYSA-N 1 1 474.656 2.998 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872145 1061276740 /nfs/dbraw/zinc/27/67/40/1061276740.db2.gz SITBMRXEDXFZIT-YLJYHZDGSA-N 1 1 494.587 2.897 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286872176 1061277150 /nfs/dbraw/zinc/27/71/50/1061277150.db2.gz SVIDOTXBKIMTNZ-QPPBQGQZSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872177 1061277455 /nfs/dbraw/zinc/27/74/55/1061277455.db2.gz SVIDOTXBKIMTNZ-URXFXBBRSA-N 1 1 485.677 2.725 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286872358 1061277869 /nfs/dbraw/zinc/27/78/69/1061277869.db2.gz UQCPGPWYUJLWMP-LAUBAEHRSA-N 1 1 461.010 2.698 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@@H]2C)CC1 ZINC001286872373 1061278186 /nfs/dbraw/zinc/27/81/86/1061278186.db2.gz UYFVKNMTXBDGCZ-UGKGYDQZSA-N 1 1 453.635 2.592 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872722 1061280079 /nfs/dbraw/zinc/28/00/79/1061280079.db2.gz XFYUPFWGTLESQA-DYESRHJHSA-N 1 1 459.664 2.753 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872738 1061280790 /nfs/dbraw/zinc/28/07/90/1061280790.db2.gz XGNWZGQTNOORQU-REWPJTCUSA-N 1 1 460.667 2.987 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872765 1061280862 /nfs/dbraw/zinc/28/08/62/1061280862.db2.gz XQVYOALHGMXOHD-OPJGWUQDSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286873392 1061286325 /nfs/dbraw/zinc/28/63/25/1061286325.db2.gz ZNIATKMTGIEYEI-WXVAWEFUSA-N 1 1 498.672 2.898 20 0 JFADMO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286874634 1061290061 /nfs/dbraw/zinc/29/00/61/1061290061.db2.gz AHTPODJCUOGHPX-UXHICEINSA-N 1 1 464.618 2.646 20 0 JFADMO Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(=O)n1C ZINC001289688503 1061300751 /nfs/dbraw/zinc/30/07/51/1061300751.db2.gz XZIQXYHQWUGOSE-UHFFFAOYSA-N 1 1 463.630 2.876 20 0 JFADMO Cc1ccc(Cn2c(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)c(=O)n1C ZINC001289698714 1061309581 /nfs/dbraw/zinc/30/95/81/1061309581.db2.gz RTPPSBLXICPCIJ-OYRHEFFESA-N 1 1 469.678 2.626 20 0 JFADMO Cc1ccc(Cn2c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)nnc2C(C)(C)C)c(=O)n1C ZINC001289698981 1061310111 /nfs/dbraw/zinc/31/01/11/1061310111.db2.gz XTSQXEYRFOUPRE-UHFFFAOYSA-N 1 1 469.678 2.626 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001286884935 1061321387 /nfs/dbraw/zinc/32/13/87/1061321387.db2.gz RNCKJBZJEHGTPD-UHFFFAOYSA-N 1 1 461.614 2.821 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001286885862 1061326130 /nfs/dbraw/zinc/32/61/30/1061326130.db2.gz RDIMBAZCPRNSQP-OAQYLSRUSA-N 1 1 484.645 2.642 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC001286885862 1061326150 /nfs/dbraw/zinc/32/61/50/1061326150.db2.gz RDIMBAZCPRNSQP-OAQYLSRUSA-N 1 1 484.645 2.642 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCc3c(C)noc3C)C[C@H]2C)CC1 ZINC001286886480 1061329213 /nfs/dbraw/zinc/32/92/13/1061329213.db2.gz DSLDYYKMTQKYME-VGSWGCGISA-N 1 1 471.650 2.703 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@@H+]2CCc3sccc3C2)cc1C ZINC001289721673 1061329160 /nfs/dbraw/zinc/32/91/60/1061329160.db2.gz ODOCGZURGBWADJ-GOSISDBHSA-N 1 1 495.653 2.967 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+]2CCc3sccc3C2)cc1C ZINC001289721673 1061329183 /nfs/dbraw/zinc/32/91/83/1061329183.db2.gz ODOCGZURGBWADJ-GOSISDBHSA-N 1 1 495.653 2.967 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886706 1061330861 /nfs/dbraw/zinc/33/08/61/1061330861.db2.gz HRVPQSJDUDYGBO-PPJWLVRDSA-N 1 1 495.716 2.986 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286887018 1061332902 /nfs/dbraw/zinc/33/29/02/1061332902.db2.gz LYIFCNXSVLJCJI-QPPBQGQZSA-N 1 1 483.661 2.782 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccccn4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286887019 1061333108 /nfs/dbraw/zinc/33/31/08/1061333108.db2.gz LYIFCNXSVLJCJI-URXFXBBRSA-N 1 1 483.661 2.782 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC(C)C)cc3)C[C@H]2C)CC1 ZINC001286887159 1061333852 /nfs/dbraw/zinc/33/38/52/1061333852.db2.gz OCZRJTAVKZNXDN-NTKDMRAZSA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001286887110 1061333931 /nfs/dbraw/zinc/33/39/31/1061333931.db2.gz NHMQLSFXSVOGEK-NVXWUHKLSA-N 1 1 462.586 2.686 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286887138 1061333975 /nfs/dbraw/zinc/33/39/75/1061333975.db2.gz NSGVRQPIQOORGV-HWHXTQLESA-N 1 1 462.683 2.752 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCCn2cccn2)cc1C ZINC001289726437 1061334940 /nfs/dbraw/zinc/33/49/40/1061334940.db2.gz HQNHEUMZUCZCSU-UHFFFAOYSA-N 1 1 494.644 2.981 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCCn2cccn2)cc1C ZINC001289726437 1061334957 /nfs/dbraw/zinc/33/49/57/1061334957.db2.gz HQNHEUMZUCZCSU-UHFFFAOYSA-N 1 1 494.644 2.981 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC3CCC(C(F)(F)F)CC3)C[C@H]2C)CC1 ZINC001286887458 1061336831 /nfs/dbraw/zinc/33/68/31/1061336831.db2.gz RLLIAJZDFSGIIO-BTWUCOSQSA-N 1 1 456.557 2.944 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C[C@H]2C)CC1 ZINC001286887518 1061337071 /nfs/dbraw/zinc/33/70/71/1061337071.db2.gz SCFDUCDTQQPFFG-APWZRJJASA-N 1 1 497.591 2.506 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CCc3ccccc3C(F)(F)F)C[C@H]2C)CC1 ZINC001286887508 1061337230 /nfs/dbraw/zinc/33/72/30/1061337230.db2.gz RXOOMQMKMWVQMY-IIBYNOLFSA-N 1 1 464.536 2.837 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3Cc3cccc(OCC(C)C)c3)C[C@@H]2C)CC1 ZINC001286888457 1061341679 /nfs/dbraw/zinc/34/16/79/1061341679.db2.gz YYJCAJCTHSIEAJ-CYFREDJKSA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3C[C@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286888613 1061342062 /nfs/dbraw/zinc/34/20/62/1061342062.db2.gz ZQVPHQWLTCUHLS-UWUFEASWSA-N 1 1 460.667 2.722 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CCCc4ccccc4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001286888631 1061342660 /nfs/dbraw/zinc/34/26/60/1061342660.db2.gz ZTYVRUCQIRFUGT-ZJSXRUAMSA-N 1 1 482.673 2.603 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289734864 1061345607 /nfs/dbraw/zinc/34/56/07/1061345607.db2.gz DDRYUDNWZWKFSK-UHFFFAOYSA-N 1 1 481.645 2.936 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289737412 1061349628 /nfs/dbraw/zinc/34/96/28/1061349628.db2.gz FCJBDIRYUYWTTK-PXNSSMCTSA-N 1 1 467.618 2.581 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCS(C)(=O)=O)cc1C ZINC001289739115 1061352868 /nfs/dbraw/zinc/35/28/68/1061352868.db2.gz HTJZOBFEOHSRFG-KRWDZBQOSA-N 1 1 488.658 2.502 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289742490 1061357752 /nfs/dbraw/zinc/35/77/52/1061357752.db2.gz AMKMFWZJTJXXLA-LJQANCHMSA-N 1 1 481.645 2.986 20 0 JFADMO CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286891317 1061359879 /nfs/dbraw/zinc/35/98/79/1061359879.db2.gz XSUUQTBFLMFDKT-UHFFFAOYSA-N 1 1 487.718 2.651 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286891695 1061361670 /nfs/dbraw/zinc/36/16/70/1061361670.db2.gz NGPZAWXWYGMPGM-LJQANCHMSA-N 1 1 478.066 2.735 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001286891883 1061362561 /nfs/dbraw/zinc/36/25/61/1061362561.db2.gz PXVVBVNNVHCIFV-NRFANRHFSA-N 1 1 497.644 2.521 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001286891926 1061362599 /nfs/dbraw/zinc/36/25/99/1061362599.db2.gz QOFCLGRUKPMELP-KRWDZBQOSA-N 1 1 469.540 2.980 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)(=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1C ZINC001289746104 1061363026 /nfs/dbraw/zinc/36/30/26/1061363026.db2.gz CIIOMHHQCPZRBY-UHFFFAOYSA-N 1 1 488.658 2.647 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001286892572 1061365276 /nfs/dbraw/zinc/36/52/76/1061365276.db2.gz XIZMDJKNLQHAPC-UHFFFAOYSA-N 1 1 461.929 2.526 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286892638 1061365555 /nfs/dbraw/zinc/36/55/55/1061365555.db2.gz ZDCDNRVLDQMMRB-UHFFFAOYSA-N 1 1 477.535 2.990 20 0 JFADMO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@H+](C)C(C)C)C2)nc1 ZINC001289747102 1061365607 /nfs/dbraw/zinc/36/56/07/1061365607.db2.gz GNFFDAOHLLJWET-IBGZPJMESA-N 1 1 463.590 2.634 20 0 JFADMO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)C2)nc1 ZINC001289748377 1061369288 /nfs/dbraw/zinc/36/92/88/1061369288.db2.gz QIVQICOTELEZIZ-UXHICEINSA-N 1 1 482.633 2.518 20 0 JFADMO Cc1ccc(O[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001289761085 1061383508 /nfs/dbraw/zinc/38/35/08/1061383508.db2.gz XGALFOMZJOAZFA-IRLDBZIGSA-N 1 1 484.645 2.800 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289773483 1061394644 /nfs/dbraw/zinc/39/46/44/1061394644.db2.gz OFYLPNKMPVNHNL-SLFFLAALSA-N 1 1 472.634 2.753 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289786247 1061410806 /nfs/dbraw/zinc/41/08/06/1061410806.db2.gz DUUAVIKUWWLADW-GOSISDBHSA-N 1 1 463.648 2.687 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286905261 1061417505 /nfs/dbraw/zinc/41/75/05/1061417505.db2.gz ZAIZWMICAWWZPF-HWSUYPBISA-N 1 1 490.693 2.943 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286908145 1061439611 /nfs/dbraw/zinc/43/96/11/1061439611.db2.gz GBBFBPIFBXGGPC-WMZOPIPTSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001286908086 1061440671 /nfs/dbraw/zinc/44/06/71/1061440671.db2.gz XTSFUSASWWLDPX-ATIYNZHBSA-N 1 1 484.645 2.542 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289810480 1061454590 /nfs/dbraw/zinc/45/45/90/1061454590.db2.gz TUHKUUBNQBIMRD-UHFFFAOYSA-N 1 1 463.648 2.828 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC001286914164 1061479103 /nfs/dbraw/zinc/47/91/03/1061479103.db2.gz AQBTXRSLOFRKFY-LJQANCHMSA-N 1 1 468.646 2.950 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC001286914164 1061479107 /nfs/dbraw/zinc/47/91/07/1061479107.db2.gz AQBTXRSLOFRKFY-LJQANCHMSA-N 1 1 468.646 2.950 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001289820417 1061481734 /nfs/dbraw/zinc/48/17/34/1061481734.db2.gz DNWKEJLOUKMAQC-OAQYLSRUSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286914991 1061489232 /nfs/dbraw/zinc/48/92/32/1061489232.db2.gz JDEGPFWLMSCRJS-SFHVURJKSA-N 1 1 467.618 2.735 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC001286915453 1061493145 /nfs/dbraw/zinc/49/31/45/1061493145.db2.gz QGSVKARWZCFNHN-HSZRJFAPSA-N 1 1 454.619 2.511 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286915462 1061493156 /nfs/dbraw/zinc/49/31/56/1061493156.db2.gz SAJKLQZWKFNFIF-QFIPXVFZSA-N 1 1 482.677 2.579 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286919428 1061509867 /nfs/dbraw/zinc/50/98/67/1061509867.db2.gz PBVCFYSGQLJEIR-LJQANCHMSA-N 1 1 453.635 2.879 20 0 JFADMO CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001286922265 1061521222 /nfs/dbraw/zinc/52/12/22/1061521222.db2.gz SXDJAMWKIZKMDD-UHFFFAOYSA-N 1 1 458.582 2.976 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001286923335 1061526246 /nfs/dbraw/zinc/52/62/46/1061526246.db2.gz JKNJUKOGHSJRJD-VWNXMTODSA-N 1 1 495.672 2.549 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001289855063 1061527184 /nfs/dbraw/zinc/52/71/84/1061527184.db2.gz UPHVWKJLUYZVEN-FQEVSTJZSA-N 1 1 462.664 2.857 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)C1 ZINC001286924021 1061528947 /nfs/dbraw/zinc/52/89/47/1061528947.db2.gz DNXUTGXLILARCB-FQEVSTJZSA-N 1 1 470.618 2.799 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924617 1061530935 /nfs/dbraw/zinc/53/09/35/1061530935.db2.gz BODFHBXKSKIZKX-NOZRDPDXSA-N 1 1 498.672 2.875 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001286925296 1061534148 /nfs/dbraw/zinc/53/41/48/1061534148.db2.gz GQBHVXOPDYTFDR-YPAWHYETSA-N 1 1 490.693 2.660 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001286925296 1061534169 /nfs/dbraw/zinc/53/41/69/1061534169.db2.gz GQBHVXOPDYTFDR-YPAWHYETSA-N 1 1 490.693 2.660 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc[nH+]c2C)C1 ZINC001286925483 1061534651 /nfs/dbraw/zinc/53/46/51/1061534651.db2.gz HUNBIIRKBNZYFL-NJDAHSKKSA-N 1 1 457.623 2.754 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001286925961 1061536506 /nfs/dbraw/zinc/53/65/06/1061536506.db2.gz GMSYZAITWACDIN-DHLKQENFSA-N 1 1 482.673 2.917 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CCC[NH+]2CCOCC2)cc1 ZINC001289862322 1061544663 /nfs/dbraw/zinc/54/46/63/1061544663.db2.gz DAKZWJPASPHGPK-UHFFFAOYSA-N 1 1 455.632 2.971 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286928542 1061548969 /nfs/dbraw/zinc/54/89/69/1061548969.db2.gz PWWOZMKAHUAFCJ-OFNKIYASSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001289867759 1061549501 /nfs/dbraw/zinc/54/95/01/1061549501.db2.gz LQKRXOHAWDCZAV-UHFFFAOYSA-N 1 1 485.702 2.607 20 0 JFADMO Cc1ccc(SCc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001289869309 1061552293 /nfs/dbraw/zinc/55/22/93/1061552293.db2.gz YMLVJMIWXRHRKD-XMMPIXPASA-N 1 1 472.659 2.704 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289876929 1061561212 /nfs/dbraw/zinc/56/12/12/1061561212.db2.gz HEMKIGUEIOHMQD-YKSBVNFPSA-N 1 1 475.659 2.576 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093456 1061572053 /nfs/dbraw/zinc/57/20/53/1061572053.db2.gz DQHUFJMIIACOQX-SFTDATJTSA-N 1 1 489.690 2.582 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2c(C)noc2C)CC[N@H+]1CCOC ZINC001294095057 1061573539 /nfs/dbraw/zinc/57/35/39/1061573539.db2.gz MQNWGRRQEPSFSW-OAQYLSRUSA-N 1 1 453.591 2.854 20 0 JFADMO Cc1cccc(C(=O)N2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001289889817 1061573893 /nfs/dbraw/zinc/57/38/93/1061573893.db2.gz MQOFZGQNEHWXLC-QFIPXVFZSA-N 1 1 481.645 2.620 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001294097183 1061575324 /nfs/dbraw/zinc/57/53/24/1061575324.db2.gz YHOILGXHYSUFMV-NZQKXSOJSA-N 1 1 463.648 2.673 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001286936035 1061576276 /nfs/dbraw/zinc/57/62/76/1061576276.db2.gz UQYMOCOASFKTSC-UHFFFAOYSA-N 1 1 451.575 2.723 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001286940338 1061582113 /nfs/dbraw/zinc/58/21/13/1061582113.db2.gz BREUZKOCVDMOSD-KDOFPFPSSA-N 1 1 464.973 2.562 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)CC[N@H+]1CCOC ZINC001294103386 1061583754 /nfs/dbraw/zinc/58/37/54/1061583754.db2.gz JMVOPQHUGCTGCL-GBESFXJTSA-N 1 1 455.694 2.915 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC001289904660 1061592184 /nfs/dbraw/zinc/59/21/84/1061592184.db2.gz CTLGGFZRLJIQSM-KURKYZTESA-N 1 1 457.604 2.680 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286942216 1061593349 /nfs/dbraw/zinc/59/33/49/1061593349.db2.gz IGJGMGXTSSVLIF-HUVFLSCGSA-N 1 1 484.645 2.772 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286942218 1061593514 /nfs/dbraw/zinc/59/35/14/1061593514.db2.gz IGJGMGXTSSVLIF-TUACAJSNSA-N 1 1 484.645 2.772 20 0 JFADMO C[N@@H+](CCNC(=O)C1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCC2)CC1)Cc1ccccc1 ZINC001294110846 1061594510 /nfs/dbraw/zinc/59/45/10/1061594510.db2.gz LYDFZYIVYTXLIX-UHFFFAOYSA-N 1 1 457.615 2.985 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001289915699 1061608180 /nfs/dbraw/zinc/60/81/80/1061608180.db2.gz QDHSKZQHPYMBOT-UHFFFAOYSA-N 1 1 465.650 2.661 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001289915699 1061608189 /nfs/dbraw/zinc/60/81/89/1061608189.db2.gz QDHSKZQHPYMBOT-UHFFFAOYSA-N 1 1 465.650 2.661 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001289915699 1061608201 /nfs/dbraw/zinc/60/82/01/1061608201.db2.gz QDHSKZQHPYMBOT-UHFFFAOYSA-N 1 1 465.650 2.661 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001289917663 1061610418 /nfs/dbraw/zinc/61/04/18/1061610418.db2.gz TXCKMWOVFCXWBQ-AONNBLCTSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001289917663 1061610423 /nfs/dbraw/zinc/61/04/23/1061610423.db2.gz TXCKMWOVFCXWBQ-AONNBLCTSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001289917666 1061610478 /nfs/dbraw/zinc/61/04/78/1061610478.db2.gz TXCKMWOVFCXWBQ-FPYOTAMTSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001289917666 1061610483 /nfs/dbraw/zinc/61/04/83/1061610483.db2.gz TXCKMWOVFCXWBQ-FPYOTAMTSA-N 1 1 468.627 2.743 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286945231 1061620421 /nfs/dbraw/zinc/62/04/21/1061620421.db2.gz WIOULZVGEYGQOW-DENIHFKCSA-N 1 1 469.634 2.502 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286946264 1061632974 /nfs/dbraw/zinc/63/29/74/1061632974.db2.gz ZJNBXORKMMWDEH-STZQEDGTSA-N 1 1 491.036 2.817 20 0 JFADMO CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001294168565 1061667561 /nfs/dbraw/zinc/66/75/61/1061667561.db2.gz RLZODZQWLIKAFZ-HXUWFJFHSA-N 1 1 473.666 2.521 20 0 JFADMO CC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286949351 1061670053 /nfs/dbraw/zinc/67/00/53/1061670053.db2.gz IQTKNVOIROBAJI-QGZVFWFLSA-N 1 1 461.010 2.814 20 0 JFADMO COCCC[N@@H+](C)CCNC(=O)c1cc(Br)ccc1I ZINC001294172468 1061673895 /nfs/dbraw/zinc/67/38/95/1061673895.db2.gz AHRQZHVGJMALQC-UHFFFAOYSA-N 1 1 455.134 2.752 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289973443 1061684057 /nfs/dbraw/zinc/68/40/57/1061684057.db2.gz IKEHOJOLIGQCHN-BDTNDASRSA-N 1 1 483.661 2.889 20 0 JFADMO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001286950881 1061685044 /nfs/dbraw/zinc/68/50/44/1061685044.db2.gz ATGGSSMXWIKATR-NRSPTQNISA-N 1 1 489.665 2.592 20 0 JFADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)C1 ZINC001294178160 1061691665 /nfs/dbraw/zinc/69/16/65/1061691665.db2.gz UEEIONNHXLMDMD-AVRDEDQJSA-N 1 1 455.521 2.961 20 0 JFADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@]2([NH+](C)C)COc3ccccc3C2)C1 ZINC001294178163 1061691778 /nfs/dbraw/zinc/69/17/78/1061691778.db2.gz UEEIONNHXLMDMD-XMSQKQJNSA-N 1 1 455.521 2.961 20 0 JFADMO CC(=O)NCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286954694 1061705795 /nfs/dbraw/zinc/70/57/95/1061705795.db2.gz GYYVHSGDJREXCP-BGYRXZFFSA-N 1 1 491.681 2.886 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(S(C)(=O)=O)CCCC2)n1 ZINC001289983715 1061707116 /nfs/dbraw/zinc/70/71/16/1061707116.db2.gz SEKFMYRJVKFNHO-UHFFFAOYSA-N 1 1 460.648 2.784 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@H+]1C ZINC001294202035 1061708055 /nfs/dbraw/zinc/70/80/55/1061708055.db2.gz PQVTWTYKWPDQML-VQIMIIECSA-N 1 1 459.568 2.861 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCOCC(F)F)CC1 ZINC001289985618 1061711080 /nfs/dbraw/zinc/71/10/80/1061711080.db2.gz NXBUZHICVLFUOH-UHFFFAOYSA-N 1 1 488.587 2.993 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001289987992 1061713372 /nfs/dbraw/zinc/71/33/72/1061713372.db2.gz FVVBRDKWJPVRAV-IEBWSBKVSA-N 1 1 468.524 2.653 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001294209857 1061713849 /nfs/dbraw/zinc/71/38/49/1061713849.db2.gz BWOXORHNRGMYPR-HXUWFJFHSA-N 1 1 469.590 2.520 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001294209892 1061713974 /nfs/dbraw/zinc/71/39/74/1061713974.db2.gz CNLWZXPLNWIIDW-UHFFFAOYSA-N 1 1 491.040 2.737 20 0 JFADMO COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC001294210616 1061714798 /nfs/dbraw/zinc/71/47/98/1061714798.db2.gz LFMZXBFCTUJEAT-UHFFFAOYSA-N 1 1 454.556 2.771 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001294211441 1061717223 /nfs/dbraw/zinc/71/72/23/1061717223.db2.gz SCBIYIAICHJMBA-UHFFFAOYSA-N 1 1 487.624 2.720 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001294213727 1061721598 /nfs/dbraw/zinc/72/15/98/1061721598.db2.gz CMTHATPVEONLAM-DEOSSOPVSA-N 1 1 459.591 2.690 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001294214346 1061722416 /nfs/dbraw/zinc/72/24/16/1061722416.db2.gz HVMNRAJRYINSOR-RUZDIDTESA-N 1 1 456.635 2.987 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001294214016 1061722530 /nfs/dbraw/zinc/72/25/30/1061722530.db2.gz FWMRGTBGGZMVGE-QHCPKHFHSA-N 1 1 462.545 2.995 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000639 1061724301 /nfs/dbraw/zinc/72/43/01/1061724301.db2.gz GDCCJYRKEHUVHK-PKTZIBPZSA-N 1 1 495.672 2.661 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294216957 1061726537 /nfs/dbraw/zinc/72/65/37/1061726537.db2.gz MEDWMDZWJHKIIE-GOSISDBHSA-N 1 1 490.450 2.962 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001294217138 1061727266 /nfs/dbraw/zinc/72/72/66/1061727266.db2.gz BTLSQFPVXITSLY-OAQYLSRUSA-N 1 1 458.582 2.644 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001294217108 1061727342 /nfs/dbraw/zinc/72/73/42/1061727342.db2.gz ARZIXEWBISCYGF-NRFANRHFSA-N 1 1 460.648 2.681 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294217395 1061728226 /nfs/dbraw/zinc/72/82/26/1061728226.db2.gz GTCLOMCUVSQLOJ-AZUAARDMSA-N 1 1 459.547 2.808 20 0 JFADMO Cc1cccc([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@H+](C)C(C)C)C2)c1 ZINC001290002690 1061728445 /nfs/dbraw/zinc/72/84/45/1061728445.db2.gz VBUNRLDKLPZUKR-TZIWHRDSSA-N 1 1 462.664 2.921 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294219068 1061730395 /nfs/dbraw/zinc/73/03/95/1061730395.db2.gz VXLSWGSSSHYVBI-NHCUHLMSSA-N 1 1 470.618 2.942 20 0 JFADMO CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC001294220443 1061732209 /nfs/dbraw/zinc/73/22/09/1061732209.db2.gz SEEADODUWAKKSL-KRWDZBQOSA-N 1 1 459.568 2.527 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 ZINC001294222000 1061732731 /nfs/dbraw/zinc/73/27/31/1061732731.db2.gz ZRDBKISFUSLDOW-SFHVURJKSA-N 1 1 463.652 2.585 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001294222007 1061732772 /nfs/dbraw/zinc/73/27/72/1061732772.db2.gz ZYCDARROJJLSIK-IBGZPJMESA-N 1 1 467.574 2.538 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294223509 1061733302 /nfs/dbraw/zinc/73/33/02/1061733302.db2.gz GQNKTOYLABWKSO-IBGZPJMESA-N 1 1 494.644 2.635 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001294224684 1061735671 /nfs/dbraw/zinc/73/56/71/1061735671.db2.gz WVCHRLDRPFMVFQ-VQTJNVASSA-N 1 1 462.545 2.817 20 0 JFADMO C[NH+](C)[C@@H](CNC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)c1ccccc1Cl ZINC001290013380 1061736395 /nfs/dbraw/zinc/73/63/95/1061736395.db2.gz IUASMOBVDKNVMT-SFHVURJKSA-N 1 1 450.971 2.879 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225586 1061736815 /nfs/dbraw/zinc/73/68/15/1061736815.db2.gz GEMZZINDWWTNCB-MOPGFXCFSA-N 1 1 450.628 2.865 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294225992 1061738210 /nfs/dbraw/zinc/73/82/10/1061738210.db2.gz KZGPNUSMOZKFJI-LJQANCHMSA-N 1 1 450.628 2.961 20 0 JFADMO CCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226271 1061739210 /nfs/dbraw/zinc/73/92/10/1061739210.db2.gz RNNJPIOOIDLVKY-GOTSBHOMSA-N 1 1 494.750 2.860 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294226347 1061739777 /nfs/dbraw/zinc/73/97/77/1061739777.db2.gz SYYHMZZIWYUYAY-WOJBJXKFSA-N 1 1 492.665 2.766 20 0 JFADMO CCCC[N@@H+](C)CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294228969 1061744826 /nfs/dbraw/zinc/74/48/26/1061744826.db2.gz JMLSVAIOGBOUSU-OAQYLSRUSA-N 1 1 455.651 2.656 20 0 JFADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cc1 ZINC001290042144 1061758945 /nfs/dbraw/zinc/75/89/45/1061758945.db2.gz AUXHMUKMLAJPSF-OAHLLOKOSA-N 1 1 458.588 2.556 20 0 JFADMO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294254699 1061759669 /nfs/dbraw/zinc/75/96/69/1061759669.db2.gz IXUSYDOBOMXHSG-UHFFFAOYSA-N 1 1 454.623 2.720 20 0 JFADMO CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294260442 1061762511 /nfs/dbraw/zinc/76/25/11/1061762511.db2.gz IRCYTWXNTQKKDM-IBGZPJMESA-N 1 1 486.617 2.514 20 0 JFADMO CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001294280627 1061771654 /nfs/dbraw/zinc/77/16/54/1061771654.db2.gz ILCQVPPLWPKIRH-QHCPKHFHSA-N 1 1 470.662 2.909 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001290054416 1061774261 /nfs/dbraw/zinc/77/42/61/1061774261.db2.gz GSTQOTUQNOYUGB-UHFFFAOYSA-N 1 1 453.591 2.609 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001290054416 1061774285 /nfs/dbraw/zinc/77/42/85/1061774285.db2.gz GSTQOTUQNOYUGB-UHFFFAOYSA-N 1 1 453.591 2.609 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290062959 1061786900 /nfs/dbraw/zinc/78/69/00/1061786900.db2.gz RRUBRKZWTVHETQ-FPOVZHCZSA-N 1 1 461.632 2.521 20 0 JFADMO CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC001294303710 1061790794 /nfs/dbraw/zinc/79/07/94/1061790794.db2.gz FMJADWMTUHYQRK-JOCHJYFZSA-N 1 1 470.666 2.573 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290066952 1061791597 /nfs/dbraw/zinc/79/15/97/1061791597.db2.gz RGNDFXMZTQIIIK-NRFANRHFSA-N 1 1 463.648 2.909 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 ZINC001294306589 1061794328 /nfs/dbraw/zinc/79/43/28/1061794328.db2.gz CDPYNQKGOMYHIE-MRXNPFEDSA-N 1 1 464.412 2.627 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001294306294 1061794376 /nfs/dbraw/zinc/79/43/76/1061794376.db2.gz HXWMYYCBAQQPNH-QFIPXVFZSA-N 1 1 487.693 2.863 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001286978075 1061795310 /nfs/dbraw/zinc/79/53/10/1061795310.db2.gz ULIXANRIWQMMSF-DBXWQHBBSA-N 1 1 460.648 2.539 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001286978075 1061795333 /nfs/dbraw/zinc/79/53/33/1061795333.db2.gz ULIXANRIWQMMSF-DBXWQHBBSA-N 1 1 460.648 2.539 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001290071219 1061797184 /nfs/dbraw/zinc/79/71/84/1061797184.db2.gz KCRWCSIUOGEWCQ-FQEVSTJZSA-N 1 1 454.619 2.954 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294308587 1061797384 /nfs/dbraw/zinc/79/73/84/1061797384.db2.gz SFQJUEHIPGNVNN-HRTMPFAESA-N 1 1 475.682 2.954 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294308783 1061797901 /nfs/dbraw/zinc/79/79/01/1061797901.db2.gz VAAOUBVHZSSUSV-ZWKOTPCHSA-N 1 1 472.556 2.936 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294309117 1061798424 /nfs/dbraw/zinc/79/84/24/1061798424.db2.gz YHEPGOBXHFDZIV-KRWDZBQOSA-N 1 1 474.572 2.965 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001294310170 1061801059 /nfs/dbraw/zinc/80/10/59/1061801059.db2.gz FJQDPNVXXYXYAT-QHAWAJNXSA-N 1 1 462.639 2.514 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311801 1061802236 /nfs/dbraw/zinc/80/22/36/1061802236.db2.gz OSDAYWAZBVOMET-IRLDBZIGSA-N 1 1 496.722 2.735 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312320 1061803767 /nfs/dbraw/zinc/80/37/67/1061803767.db2.gz YMFWYXYJUPLJHS-FCHUYYIVSA-N 1 1 487.693 2.967 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001294313357 1061805176 /nfs/dbraw/zinc/80/51/76/1061805176.db2.gz BYFILZYHEFWUPT-NJYVYQBISA-N 1 1 482.695 2.502 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001286979545 1061807947 /nfs/dbraw/zinc/80/79/47/1061807947.db2.gz VIWFFFPBHSWTIZ-SVFBPWRDSA-N 1 1 459.660 2.805 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316805 1061811546 /nfs/dbraw/zinc/81/15/46/1061811546.db2.gz IBLXNDACHGEMMC-DCEDVJGZSA-N 1 1 476.666 2.547 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294317020 1061812096 /nfs/dbraw/zinc/81/20/96/1061812096.db2.gz JIXPDXSNNPMXDU-VABKMULXSA-N 1 1 476.666 2.715 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294317128 1061812355 /nfs/dbraw/zinc/81/23/55/1061812355.db2.gz UUOUHNGMYKHNPM-FQEVSTJZSA-N 1 1 468.712 2.993 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294317953 1061816435 /nfs/dbraw/zinc/81/64/35/1061816435.db2.gz ZDDYTJUVYKQQJC-KZNAEPCWSA-N 1 1 493.596 2.602 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294318609 1061818433 /nfs/dbraw/zinc/81/84/33/1061818433.db2.gz URKOWOXRWJTDDI-YADHBBJMSA-N 1 1 491.706 2.808 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294318608 1061818504 /nfs/dbraw/zinc/81/85/04/1061818504.db2.gz URKOWOXRWJTDDI-VXKWHMMOSA-N 1 1 491.706 2.808 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286982503 1061827712 /nfs/dbraw/zinc/82/77/12/1061827712.db2.gz TWXCRPUEKSCCQG-QZTJIDSGSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286982503 1061827735 /nfs/dbraw/zinc/82/77/35/1061827735.db2.gz TWXCRPUEKSCCQG-QZTJIDSGSA-N 1 1 474.606 2.869 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286984247 1061841838 /nfs/dbraw/zinc/84/18/38/1061841838.db2.gz XPTRWPTYELQAGZ-FCGDIQPGSA-N 1 1 455.669 2.898 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286984247 1061841849 /nfs/dbraw/zinc/84/18/49/1061841849.db2.gz XPTRWPTYELQAGZ-FCGDIQPGSA-N 1 1 455.669 2.898 20 0 JFADMO C[NH+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2I)CC1 ZINC001290113588 1061842792 /nfs/dbraw/zinc/84/27/92/1061842792.db2.gz SURGYCWCLUFQQP-OAHLLOKOSA-N 1 1 459.328 2.631 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294327556 1061843943 /nfs/dbraw/zinc/84/39/43/1061843943.db2.gz ARLAQONVDAZVML-WBADGQHESA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294330687 1061850113 /nfs/dbraw/zinc/85/01/13/1061850113.db2.gz PQCUGNKBSGTVOP-JSXRDJHFSA-N 1 1 487.693 2.871 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001290123599 1061853350 /nfs/dbraw/zinc/85/33/50/1061853350.db2.gz BUECFJSOOHONJH-NRFANRHFSA-N 1 1 472.659 2.623 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001290125025 1061855769 /nfs/dbraw/zinc/85/57/69/1061855769.db2.gz KFMHISWBJAWRHT-WOJBJXKFSA-N 1 1 460.648 2.503 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294332336 1061859175 /nfs/dbraw/zinc/85/91/75/1061859175.db2.gz JHRTYRGYGVUWEZ-GGAORHGYSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294332336 1061859198 /nfs/dbraw/zinc/85/91/98/1061859198.db2.gz JHRTYRGYGVUWEZ-GGAORHGYSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294332910 1061862429 /nfs/dbraw/zinc/86/24/29/1061862429.db2.gz LGRZWQSSJMFMEG-OREGWCPLSA-N 1 1 498.672 2.753 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133981 1061869249 /nfs/dbraw/zinc/86/92/49/1061869249.db2.gz YKBPWRQDRIOFJH-JOCHJYFZSA-N 1 1 470.662 2.646 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001294335836 1061872903 /nfs/dbraw/zinc/87/29/03/1061872903.db2.gz RODVWAJABGLGMV-FCHUYYIVSA-N 1 1 487.693 2.911 20 0 JFADMO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001290141517 1061876480 /nfs/dbraw/zinc/87/64/80/1061876480.db2.gz YYFCIGSDYRCEHA-CTNGQTDRSA-N 1 1 454.619 2.687 20 0 JFADMO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001290142792 1061877230 /nfs/dbraw/zinc/87/72/30/1061877230.db2.gz LWPWLIXNYVMISK-LJQANCHMSA-N 1 1 451.608 2.554 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290151182 1061892351 /nfs/dbraw/zinc/89/23/51/1061892351.db2.gz NEJVQUBBGOYPSD-QHCPKHFHSA-N 1 1 476.629 2.546 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294343097 1061894974 /nfs/dbraw/zinc/89/49/74/1061894974.db2.gz UWTHMBWXILSNLN-IBGZPJMESA-N 1 1 457.623 2.517 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294343097 1061895005 /nfs/dbraw/zinc/89/50/05/1061895005.db2.gz UWTHMBWXILSNLN-IBGZPJMESA-N 1 1 457.623 2.517 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CCOCC(F)(F)C(F)F ZINC001286996653 1061909429 /nfs/dbraw/zinc/90/94/29/1061909429.db2.gz DSSPMJNSLBGIHV-LJQANCHMSA-N 1 1 451.509 2.794 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCOCC(F)(F)C(F)F ZINC001286998110 1061910520 /nfs/dbraw/zinc/91/05/20/1061910520.db2.gz KRNUFOIMSIKCGS-HNNXBMFYSA-N 1 1 451.509 2.651 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001294349327 1061913807 /nfs/dbraw/zinc/91/38/07/1061913807.db2.gz OPEMZJAVVHVNJC-FQEVSTJZSA-N 1 1 482.633 2.542 20 0 JFADMO CC(C)(C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287001691 1061918765 /nfs/dbraw/zinc/91/87/65/1061918765.db2.gz WTGLPOFVORVRFV-FQEVSTJZSA-N 1 1 456.639 2.683 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H]1CCCCO1 ZINC001287009961 1061939496 /nfs/dbraw/zinc/93/94/96/1061939496.db2.gz ZLORWWJSJJSFLZ-IRLDBZIGSA-N 1 1 457.619 2.707 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCC(C)(C)O)cc1OC ZINC001294372581 1061941518 /nfs/dbraw/zinc/94/15/18/1061941518.db2.gz JQSBVXKDTMIBIY-FQEVSTJZSA-N 1 1 473.618 2.814 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCC(C)(C)O)cc1OC ZINC001294372581 1061941535 /nfs/dbraw/zinc/94/15/35/1061941535.db2.gz JQSBVXKDTMIBIY-FQEVSTJZSA-N 1 1 473.618 2.814 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290200165 1061941809 /nfs/dbraw/zinc/94/18/09/1061941809.db2.gz REFROKPBARNDQR-WOJBJXKFSA-N 1 1 492.690 2.975 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294372995 1061943997 /nfs/dbraw/zinc/94/39/97/1061943997.db2.gz RJJMYMGIYTXIAE-HXUWFJFHSA-N 1 1 470.618 2.895 20 0 JFADMO CC(C)(C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001287013265 1061945727 /nfs/dbraw/zinc/94/57/27/1061945727.db2.gz ZUVQBFKEWRRQEO-HNNXBMFYSA-N 1 1 454.497 2.589 20 0 JFADMO CC(C)(C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001287013265 1061945749 /nfs/dbraw/zinc/94/57/49/1061945749.db2.gz ZUVQBFKEWRRQEO-HNNXBMFYSA-N 1 1 454.497 2.589 20 0 JFADMO CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C ZINC001294380778 1061953913 /nfs/dbraw/zinc/95/39/13/1061953913.db2.gz NQQOHLGGWWEZLN-OAQYLSRUSA-N 1 1 483.661 2.941 20 0 JFADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001290217853 1061963828 /nfs/dbraw/zinc/96/38/28/1061963828.db2.gz MVEILQPXXZPQMZ-HXUWFJFHSA-N 1 1 474.675 2.953 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001287029067 1061977372 /nfs/dbraw/zinc/97/73/72/1061977372.db2.gz MWTIHBYDMYQPDS-UYAOXDASSA-N 1 1 466.696 2.649 20 0 JFADMO Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001290230149 1061978899 /nfs/dbraw/zinc/97/88/99/1061978899.db2.gz ZORGCLZDOYLRDG-UHFFFAOYSA-N 1 1 453.616 2.942 20 0 JFADMO CCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294427082 1061986228 /nfs/dbraw/zinc/98/62/28/1061986228.db2.gz JETHZCTYCJMEKJ-HDICACEKSA-N 1 1 453.595 2.655 20 0 JFADMO CCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001294435873 1061989465 /nfs/dbraw/zinc/98/94/65/1061989465.db2.gz ZENXKWIVJSBGRP-UHFFFAOYSA-N 1 1 453.591 2.632 20 0 JFADMO CCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001294435873 1061989488 /nfs/dbraw/zinc/98/94/88/1061989488.db2.gz ZENXKWIVJSBGRP-UHFFFAOYSA-N 1 1 453.591 2.632 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287034176 1061994698 /nfs/dbraw/zinc/99/46/98/1061994698.db2.gz HZPADEAVMUUPOX-FPOVZHCZSA-N 1 1 493.599 2.853 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)C1 ZINC001294453686 1061998563 /nfs/dbraw/zinc/99/85/63/1061998563.db2.gz DAYVHEYCEDMHRQ-IBGZPJMESA-N 1 1 452.607 2.589 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)C1 ZINC001294453687 1061998588 /nfs/dbraw/zinc/99/85/88/1061998588.db2.gz DAYVHEYCEDMHRQ-LJQANCHMSA-N 1 1 452.607 2.589 20 0 JFADMO COc1ccc(Br)cc1-c1ncc(C(=O)NCCC[NH+]2CCN(C)CC2)s1 ZINC001290270497 1061998765 /nfs/dbraw/zinc/99/87/65/1061998765.db2.gz CFRWBXBLSLCODO-UHFFFAOYSA-N 1 1 453.406 2.949 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 ZINC001294453925 1061999210 /nfs/dbraw/zinc/99/92/10/1061999210.db2.gz JXGOSZXVFAYNMR-PZJWPPBQSA-N 1 1 467.618 2.594 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294454767 1062000966 /nfs/dbraw/zinc/00/09/66/1062000966.db2.gz RTLHPGXHUMNYDD-IBGZPJMESA-N 1 1 491.600 2.632 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 ZINC001294455075 1062001463 /nfs/dbraw/zinc/00/14/63/1062001463.db2.gz CCHJTBDLKLAZSC-IBGZPJMESA-N 1 1 473.643 2.863 20 0 JFADMO C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001290272217 1062002250 /nfs/dbraw/zinc/00/22/50/1062002250.db2.gz YSYYKNFQRNTYPI-LJQANCHMSA-N 1 1 450.583 2.667 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455523 1062002887 /nfs/dbraw/zinc/00/28/87/1062002887.db2.gz FIMDUAFPKLCIHF-CJFMBICVSA-N 1 1 488.681 2.882 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001294455674 1062003269 /nfs/dbraw/zinc/00/32/69/1062003269.db2.gz YBEFYIVMEPHADU-QGZVFWFLSA-N 1 1 474.679 2.880 20 0 JFADMO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC001290279137 1062008262 /nfs/dbraw/zinc/00/82/62/1062008262.db2.gz LVLKTXVHBGOTSI-NRFANRHFSA-N 1 1 464.618 2.722 20 0 JFADMO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)CC1 ZINC001287041337 1062008613 /nfs/dbraw/zinc/00/86/13/1062008613.db2.gz IVCSBLHCPKWNRF-MSOLQXFVSA-N 1 1 455.694 2.634 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294460596 1062009253 /nfs/dbraw/zinc/00/92/53/1062009253.db2.gz HGBLIOLEWZJAHR-INIZCTEOSA-N 1 1 468.524 2.800 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CC1 ZINC001287042284 1062012340 /nfs/dbraw/zinc/01/23/40/1062012340.db2.gz HQWUCTDRIZSIPG-UHFFFAOYSA-N 1 1 493.052 2.571 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001294467217 1062015642 /nfs/dbraw/zinc/01/56/42/1062015642.db2.gz FFUNKNVSSIPRPL-KSEOMHKRSA-N 1 1 475.659 2.736 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)C1 ZINC001294467356 1062016284 /nfs/dbraw/zinc/01/62/84/1062016284.db2.gz FPKYKGNNZUVXIF-DZFGPLHGSA-N 1 1 458.582 2.924 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468077 1062017884 /nfs/dbraw/zinc/01/78/84/1062017884.db2.gz KILTVIMFZGCXNQ-FGZHOGPDSA-N 1 1 454.619 2.609 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468086 1062018186 /nfs/dbraw/zinc/01/81/86/1062018186.db2.gz KJZLOKKXOPSOJI-RBUKOAKNSA-N 1 1 453.653 2.655 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468143 1062018416 /nfs/dbraw/zinc/01/84/16/1062018416.db2.gz LIHRDKUIBQAHAD-FPOVZHCZSA-N 1 1 475.659 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(F)c2)C1 ZINC001294468883 1062020041 /nfs/dbraw/zinc/02/00/41/1062020041.db2.gz RDDIQSWTFUXLFF-SLFFLAALSA-N 1 1 493.649 2.955 20 0 JFADMO Cc1cnc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290293289 1062021790 /nfs/dbraw/zinc/02/17/90/1062021790.db2.gz LWHRDRVMQBULSS-ZACQAIPSSA-N 1 1 456.620 2.849 20 0 JFADMO Cc1cnc([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001290293289 1062021816 /nfs/dbraw/zinc/02/18/16/1062021816.db2.gz LWHRDRVMQBULSS-ZACQAIPSSA-N 1 1 456.620 2.849 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287045933 1062025952 /nfs/dbraw/zinc/02/59/52/1062025952.db2.gz HXBACWSFHACDJI-GOSISDBHSA-N 1 1 458.582 2.548 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)C1 ZINC001294472205 1062026162 /nfs/dbraw/zinc/02/61/62/1062026162.db2.gz TXMZVCHNUTXJSI-HXUWFJFHSA-N 1 1 452.607 2.760 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001287046095 1062027195 /nfs/dbraw/zinc/02/71/95/1062027195.db2.gz QNKUYBXAJIDDAU-NRFANRHFSA-N 1 1 484.645 2.678 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294474691 1062027444 /nfs/dbraw/zinc/02/74/44/1062027444.db2.gz QEYUSYJNJLCHNI-FQEVSTJZSA-N 1 1 465.689 2.923 20 0 JFADMO CC(C)(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287046268 1062027454 /nfs/dbraw/zinc/02/74/54/1062027454.db2.gz RWNGLHDMUQCJRW-SFHVURJKSA-N 1 1 490.599 2.753 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001294475967 1062028607 /nfs/dbraw/zinc/02/86/07/1062028607.db2.gz YATWBZCJTJHVCH-ZJOUEHCJSA-N 1 1 462.664 2.853 20 0 JFADMO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O ZINC001294480494 1062030757 /nfs/dbraw/zinc/03/07/57/1062030757.db2.gz FXWTVGSSCOMSNL-VQIMIIECSA-N 1 1 459.543 2.808 20 0 JFADMO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001294480394 1062030863 /nfs/dbraw/zinc/03/08/63/1062030863.db2.gz SLMFPOAQVDTVKM-SFHVURJKSA-N 1 1 471.631 2.891 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 ZINC001287047036 1062031114 /nfs/dbraw/zinc/03/11/14/1062031114.db2.gz ZVGXSJUFAFUGMP-QGZVFWFLSA-N 1 1 467.039 2.588 20 0 JFADMO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001290305268 1062032430 /nfs/dbraw/zinc/03/24/30/1062032430.db2.gz VEBDJKCJDGMRCR-LJQANCHMSA-N 1 1 486.642 2.859 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001294496770 1062034428 /nfs/dbraw/zinc/03/44/28/1062034428.db2.gz AYSYJOUOUBBDSJ-UXHICEINSA-N 1 1 480.654 2.791 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 ZINC001294503072 1062038726 /nfs/dbraw/zinc/03/87/26/1062038726.db2.gz SMFJZHHMACZWRI-UQBPGWFLSA-N 1 1 453.583 2.619 20 0 JFADMO Cc1csc([C@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001290318976 1062043141 /nfs/dbraw/zinc/04/31/41/1062043141.db2.gz PQEFELHNMUXBOR-MSOLQXFVSA-N 1 1 495.719 2.912 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001294506382 1062044015 /nfs/dbraw/zinc/04/40/15/1062044015.db2.gz RGGQSOIWOINAMC-DEOSSOPVSA-N 1 1 491.036 2.589 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(N3CC[N@@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049739 1062044363 /nfs/dbraw/zinc/04/43/63/1062044363.db2.gz VGYCGKBBOHOOBQ-OALUTQOASA-N 1 1 462.639 2.744 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@@H](CCn2c(N3CC[N@H+]4CCOC[C@@H]4C3)nnc2C(C)(C)C)C1 ZINC001287049739 1062044378 /nfs/dbraw/zinc/04/43/78/1062044378.db2.gz VGYCGKBBOHOOBQ-OALUTQOASA-N 1 1 462.639 2.744 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001294507073 1062044573 /nfs/dbraw/zinc/04/45/73/1062044573.db2.gz XOPHMSCQCNJKGL-UHFFFAOYSA-N 1 1 491.040 2.737 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294506885 1062044738 /nfs/dbraw/zinc/04/47/38/1062044738.db2.gz MZAIBLUGCYAITQ-IBGZPJMESA-N 1 1 450.591 2.769 20 0 JFADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320764 1062045545 /nfs/dbraw/zinc/04/55/45/1062045545.db2.gz UGTBIZRKZXVCOE-IMSXRSKXSA-N 1 1 458.622 2.829 20 0 JFADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)C1 ZINC001290320764 1062045565 /nfs/dbraw/zinc/04/55/65/1062045565.db2.gz UGTBIZRKZXVCOE-IMSXRSKXSA-N 1 1 458.622 2.829 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294507849 1062045846 /nfs/dbraw/zinc/04/58/46/1062045846.db2.gz VRQPHSHRAPBMPQ-UHFFFAOYSA-N 1 1 499.479 2.796 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001294514860 1062050561 /nfs/dbraw/zinc/05/05/61/1062050561.db2.gz WIQCYNIGFLEAFY-UHFFFAOYSA-N 1 1 490.052 2.905 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294515399 1062051676 /nfs/dbraw/zinc/05/16/76/1062051676.db2.gz GGRXDDVUBCMILF-KRWDZBQOSA-N 1 1 467.574 2.715 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001294521462 1062057067 /nfs/dbraw/zinc/05/70/67/1062057067.db2.gz NKAUQRXBBLBKNW-RBUKOAKNSA-N 1 1 461.611 2.988 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294523168 1062059181 /nfs/dbraw/zinc/05/91/81/1062059181.db2.gz XIDXTZHSDCLOIJ-FCHUYYIVSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001294523359 1062059301 /nfs/dbraw/zinc/05/93/01/1062059301.db2.gz YKICXLUPXBYUFE-FQEVSTJZSA-N 1 1 491.681 2.839 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294523171 1062059473 /nfs/dbraw/zinc/05/94/73/1062059473.db2.gz XIDXTZHSDCLOIJ-FGZHOGPDSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 ZINC001294523554 1062060166 /nfs/dbraw/zinc/06/01/66/1062060166.db2.gz WPAGXFYZHHTLCS-PMACEKPBSA-N 1 1 480.654 2.934 20 0 JFADMO CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001294523384 1062060254 /nfs/dbraw/zinc/06/02/54/1062060254.db2.gz UCLPEPDMXGHEIS-IBGZPJMESA-N 1 1 468.654 2.751 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001294523913 1062060884 /nfs/dbraw/zinc/06/08/84/1062060884.db2.gz HYLMQVZVTKPHFE-QUCCMNQESA-N 1 1 470.618 2.657 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 ZINC001294524241 1062061684 /nfs/dbraw/zinc/06/16/84/1062061684.db2.gz PLBKPPCPZBKPCY-UHFFFAOYSA-N 1 1 460.579 2.583 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001294526240 1062062384 /nfs/dbraw/zinc/06/23/84/1062062384.db2.gz UPHCOCNOIVMGKH-UHFFFAOYSA-N 1 1 484.645 2.761 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001294528691 1062064527 /nfs/dbraw/zinc/06/45/27/1062064527.db2.gz UZSKMSMOKWXGLU-UHFFFAOYSA-N 1 1 466.634 2.904 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCSC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294530101 1062066817 /nfs/dbraw/zinc/06/68/17/1062066817.db2.gz WAVPRJAFALMBKX-QHCPKHFHSA-N 1 1 467.680 2.765 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001294548467 1062074133 /nfs/dbraw/zinc/07/41/33/1062074133.db2.gz OXZDVRJPLOOYOZ-TZIWHRDSSA-N 1 1 496.722 2.748 20 0 JFADMO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001294552321 1062076609 /nfs/dbraw/zinc/07/66/09/1062076609.db2.gz DSMACFMBJGLQIS-ZEQRLZLVSA-N 1 1 455.624 2.905 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287057438 1062081267 /nfs/dbraw/zinc/08/12/67/1062081267.db2.gz OKPAHCZIOKJCFX-UXHICEINSA-N 1 1 462.639 2.886 20 0 JFADMO Cc1cc[nH+]c(N2CCN(C(=O)C3(C4(O)CCN(C(=O)OC(C)(C)C)CC4)CCC3)CC2)c1 ZINC001294582564 1062092732 /nfs/dbraw/zinc/09/27/32/1062092732.db2.gz KZBOYWNSTKISBC-UHFFFAOYSA-N 1 1 458.603 2.971 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290391001 1062093473 /nfs/dbraw/zinc/09/34/73/1062093473.db2.gz JGXCOBYKESVATE-MRXNPFEDSA-N 1 1 473.569 2.575 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287061141 1062095759 /nfs/dbraw/zinc/09/57/59/1062095759.db2.gz ILCSSPZVKAZAGY-LJQANCHMSA-N 1 1 485.633 2.802 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287061141 1062095778 /nfs/dbraw/zinc/09/57/78/1062095778.db2.gz ILCSSPZVKAZAGY-LJQANCHMSA-N 1 1 485.633 2.802 20 0 JFADMO C[N@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC[C@H]21 ZINC001294605300 1062115499 /nfs/dbraw/zinc/11/54/99/1062115499.db2.gz FPCQTMLHAGLEAV-BLLLJJGKSA-N 1 1 453.914 2.580 20 0 JFADMO Cc1nc(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CCC[NH+]2CCOCC2)cs1 ZINC001290407087 1062118824 /nfs/dbraw/zinc/11/88/24/1062118824.db2.gz FLBGMKDIVBVQMU-RHSMWYFYSA-N 1 1 474.553 2.512 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290410481 1062127169 /nfs/dbraw/zinc/12/71/69/1062127169.db2.gz DUSBQKWAIJFJEC-ZBFHGGJFSA-N 1 1 485.580 2.623 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287064842 1062130097 /nfs/dbraw/zinc/13/00/97/1062130097.db2.gz ZQXSQQAOCKNFLL-LJQANCHMSA-N 1 1 471.606 2.554 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287065070 1062131957 /nfs/dbraw/zinc/13/19/57/1062131957.db2.gz KXVVKKULBJQINB-NRFANRHFSA-N 1 1 499.660 2.726 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001294632688 1062141095 /nfs/dbraw/zinc/14/10/95/1062141095.db2.gz KOINRFMNJTVABC-JOCHJYFZSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(Cc3ccc(F)cc3)CC2)C1 ZINC001294633056 1062141210 /nfs/dbraw/zinc/14/12/10/1062141210.db2.gz LDBMEPGMRGBUKM-OAQYLSRUSA-N 1 1 486.636 2.861 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)C1 ZINC001294633069 1062141275 /nfs/dbraw/zinc/14/12/75/1062141275.db2.gz LGVCXIMXHHIJII-PBQROFAYSA-N 1 1 476.666 2.701 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc3c(c2)OCCO3)C1 ZINC001294633083 1062142151 /nfs/dbraw/zinc/14/21/51/1062142151.db2.gz LLJIENJTELOBNW-LJQANCHMSA-N 1 1 456.591 2.556 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](c3nccs3)C2)C1 ZINC001294633154 1062142249 /nfs/dbraw/zinc/14/22/49/1062142249.db2.gz NKZCPDYVRFJNTM-MJGOQNOKSA-N 1 1 475.663 2.963 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc3c(c2)OCCO3)C1 ZINC001294633082 1062142304 /nfs/dbraw/zinc/14/23/04/1062142304.db2.gz LLJIENJTELOBNW-IBGZPJMESA-N 1 1 456.591 2.556 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001290417267 1062142767 /nfs/dbraw/zinc/14/27/67/1062142767.db2.gz KQKMRLJBTXFRAP-UHFFFAOYSA-N 1 1 488.580 2.638 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccsc3)O[C@@H](C)C2)C1 ZINC001294637620 1062152113 /nfs/dbraw/zinc/15/21/13/1062152113.db2.gz LKGFOCUHJZHKRM-JPLJXNOCSA-N 1 1 496.703 2.648 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cs1 ZINC001290420562 1062154162 /nfs/dbraw/zinc/15/41/62/1062154162.db2.gz BCAOHQWAORBSQQ-FQEVSTJZSA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cs1 ZINC001290420562 1062154172 /nfs/dbraw/zinc/15/41/72/1062154172.db2.gz BCAOHQWAORBSQQ-FQEVSTJZSA-N 1 1 462.664 2.996 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001294639419 1062154351 /nfs/dbraw/zinc/15/43/51/1062154351.db2.gz UWYRURIVLMOQOG-KSZLIROESA-N 1 1 464.636 2.523 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)C1 ZINC001294639821 1062155413 /nfs/dbraw/zinc/15/54/13/1062155413.db2.gz XNMGVYNGXUYZCI-OALUTQOASA-N 1 1 452.669 2.781 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294640989 1062159827 /nfs/dbraw/zinc/15/98/27/1062159827.db2.gz HZEIMJZEGYUAHZ-LEDOBFOHSA-N 1 1 488.608 2.630 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001290423140 1062163355 /nfs/dbraw/zinc/16/33/55/1062163355.db2.gz GUJZGIXJVVMUBO-HKUYNNGSSA-N 1 1 459.664 2.990 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287067701 1062163770 /nfs/dbraw/zinc/16/37/70/1062163770.db2.gz YAHXJTYQOWKALI-JOCHJYFZSA-N 1 1 499.660 2.870 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001294643274 1062167635 /nfs/dbraw/zinc/16/76/35/1062167635.db2.gz YVAFVGIEBCHZMH-OTWHNJEPSA-N 1 1 458.582 2.956 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)COc3ccc(N4CCCC4=O)cc3)C2)cc(OC)c1 ZINC001294645112 1062170890 /nfs/dbraw/zinc/17/08/90/1062170890.db2.gz KUAUJOMOFQUMNP-IBGZPJMESA-N 1 1 453.539 2.600 20 0 JFADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)COc3ccc(N4CCCC4=O)cc3)C2)cc(OC)c1 ZINC001294645112 1062170894 /nfs/dbraw/zinc/17/08/94/1062170894.db2.gz KUAUJOMOFQUMNP-IBGZPJMESA-N 1 1 453.539 2.600 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294645710 1062174262 /nfs/dbraw/zinc/17/42/62/1062174262.db2.gz FLKXAHOLRMBPEZ-IEBWSBKVSA-N 1 1 479.000 2.811 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001294645741 1062175491 /nfs/dbraw/zinc/17/54/91/1062175491.db2.gz GCIPXWARRDWEDD-HNNXBMFYSA-N 1 1 489.473 2.969 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCNC(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1 ZINC001294646408 1062176401 /nfs/dbraw/zinc/17/64/01/1062176401.db2.gz URIWDRHTRIOTRC-LJQANCHMSA-N 1 1 450.539 2.696 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)CCNC(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1 ZINC001294646408 1062176411 /nfs/dbraw/zinc/17/64/11/1062176411.db2.gz URIWDRHTRIOTRC-LJQANCHMSA-N 1 1 450.539 2.696 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294647285 1062181811 /nfs/dbraw/zinc/18/18/11/1062181811.db2.gz SOAQKKAJOZIZCR-ICSRJNTNSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294648730 1062189043 /nfs/dbraw/zinc/18/90/43/1062189043.db2.gz SHCWDMGMMGDBNQ-FQEVSTJZSA-N 1 1 474.675 2.975 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001294648911 1062190240 /nfs/dbraw/zinc/19/02/40/1062190240.db2.gz XMCVWBITFZUEJX-PMACEKPBSA-N 1 1 492.665 2.924 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294649156 1062190336 /nfs/dbraw/zinc/19/03/36/1062190336.db2.gz YIFLNJGEJWUGHY-HXUWFJFHSA-N 1 1 474.675 2.927 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001294649940 1062193356 /nfs/dbraw/zinc/19/33/56/1062193356.db2.gz FPUWLPWWMNLDNT-MOPGFXCFSA-N 1 1 451.619 2.987 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(c4nccnc4C)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001290433112 1062197270 /nfs/dbraw/zinc/19/72/70/1062197270.db2.gz SJKGZGTXKZJXKP-UHFFFAOYSA-N 1 1 469.663 2.789 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(c4ncc(F)cn4)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001290433803 1062200918 /nfs/dbraw/zinc/20/09/18/1062200918.db2.gz YGFOYWGJCKVHMN-UHFFFAOYSA-N 1 1 473.626 2.620 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001294655883 1062201143 /nfs/dbraw/zinc/20/11/43/1062201143.db2.gz DDXDKLJRJYEYNK-BZSNNMDCSA-N 1 1 466.677 2.609 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290434952 1062201336 /nfs/dbraw/zinc/20/13/36/1062201336.db2.gz AQBQOCDVCUXKLQ-HNNXBMFYSA-N 1 1 457.570 2.802 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)C1 ZINC001294657997 1062203285 /nfs/dbraw/zinc/20/32/85/1062203285.db2.gz NGPIAPLVTSEPAH-HKBOAZHASA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658021 1062203858 /nfs/dbraw/zinc/20/38/58/1062203858.db2.gz NOHKCOVHJHMEAA-UFYCRDLUSA-N 1 1 478.638 2.544 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CCN(C)CC(F)(F)F)cs1 ZINC001290435668 1062205763 /nfs/dbraw/zinc/20/57/63/1062205763.db2.gz XKIGNYPHYICTDM-KRWDZBQOSA-N 1 1 457.570 2.802 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001294659033 1062206427 /nfs/dbraw/zinc/20/64/27/1062206427.db2.gz RXZKJNFIJJJICU-WOJBJXKFSA-N 1 1 462.639 2.961 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCOCC2)C1 ZINC001287072231 1062206765 /nfs/dbraw/zinc/20/67/65/1062206765.db2.gz VLEIQFRNSOSWPN-SFHVURJKSA-N 1 1 492.024 2.819 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001294659163 1062207422 /nfs/dbraw/zinc/20/74/22/1062207422.db2.gz UGYKKAGYIYQSAB-HSALFYBXSA-N 1 1 462.639 2.960 20 0 JFADMO Cc1nc(Cc2nnc(N3CCS(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001290440415 1062208651 /nfs/dbraw/zinc/20/86/51/1062208651.db2.gz SOEFOFUFRPHJDZ-QGZVFWFLSA-N 1 1 450.678 2.715 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294660991 1062211059 /nfs/dbraw/zinc/21/10/59/1062211059.db2.gz HYNDZBPVBGOQNG-CTNGQTDRSA-N 1 1 463.623 2.753 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001287073269 1062211695 /nfs/dbraw/zinc/21/16/95/1062211695.db2.gz BRULKTOIYXNSHW-ZCNNSNEGSA-N 1 1 492.665 2.511 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294661540 1062212351 /nfs/dbraw/zinc/21/23/51/1062212351.db2.gz QHPOAJCGXMAURD-IFMALSPDSA-N 1 1 475.037 2.596 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294661725 1062213012 /nfs/dbraw/zinc/21/30/12/1062213012.db2.gz UMPHECANHKGOAD-GOSISDBHSA-N 1 1 475.588 2.731 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001294662437 1062214175 /nfs/dbraw/zinc/21/41/75/1062214175.db2.gz NAFFZGRAHNGJDO-MOPGFXCFSA-N 1 1 472.659 2.951 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001294662388 1062214531 /nfs/dbraw/zinc/21/45/31/1062214531.db2.gz LWCCRNRRDFNAHO-UVKLAMSESA-N 1 1 453.635 2.879 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001294663110 1062214756 /nfs/dbraw/zinc/21/47/56/1062214756.db2.gz QRCXWVNASJUTII-NRFANRHFSA-N 1 1 455.651 2.543 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667399 1062222350 /nfs/dbraw/zinc/22/23/50/1062222350.db2.gz ZPGDKGGYULRHOG-VQTJNVASSA-N 1 1 491.658 2.611 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001294668807 1062223949 /nfs/dbraw/zinc/22/39/49/1062223949.db2.gz DEJPMMDXGPPYHE-NBGIEHNGSA-N 1 1 492.665 2.719 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)C1 ZINC001294669365 1062225613 /nfs/dbraw/zinc/22/56/13/1062225613.db2.gz IXPDYHFCBFVJHB-IBGZPJMESA-N 1 1 454.619 2.976 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294670330 1062227309 /nfs/dbraw/zinc/22/73/09/1062227309.db2.gz SFYKNURNSMXBGW-JOCHJYFZSA-N 1 1 453.635 2.647 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670373 1062227916 /nfs/dbraw/zinc/22/79/16/1062227916.db2.gz QZAGNPFDPHWZEG-BBTUJRGHSA-N 1 1 476.647 2.706 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CCOC)CC2)C1 ZINC001294671029 1062229215 /nfs/dbraw/zinc/22/92/15/1062229215.db2.gz VTUKILUNKCTSRO-YPAWHYETSA-N 1 1 462.683 2.697 20 0 JFADMO CCC[N@@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001294671441 1062230212 /nfs/dbraw/zinc/23/02/12/1062230212.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC)[C@@H](C)C2)C1 ZINC001294671441 1062230239 /nfs/dbraw/zinc/23/02/39/1062230239.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 1 1 459.664 2.532 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001294674669 1062234509 /nfs/dbraw/zinc/23/45/09/1062234509.db2.gz LZSWEORHYGYNER-FJIDUMEYSA-N 1 1 461.529 2.502 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294692374 1062251815 /nfs/dbraw/zinc/25/18/15/1062251815.db2.gz ARVQTCNRGFEJPB-LEWJYISDSA-N 1 1 482.633 2.542 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 ZINC001294692879 1062252600 /nfs/dbraw/zinc/25/26/00/1062252600.db2.gz DRDPMHUECNITRS-YESZJQIVSA-N 1 1 462.611 2.634 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001294696263 1062257885 /nfs/dbraw/zinc/25/78/85/1062257885.db2.gz DMQNQEYWDKAVTQ-QHCPKHFHSA-N 1 1 482.677 2.595 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001294696127 1062258047 /nfs/dbraw/zinc/25/80/47/1062258047.db2.gz QTYRYLQFUVJQAJ-DXBBTUNJSA-N 1 1 496.722 2.796 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294698077 1062260263 /nfs/dbraw/zinc/26/02/63/1062260263.db2.gz WQHZATVJTAZRLO-YJLYGGOZSA-N 1 1 459.639 2.871 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294698215 1062260645 /nfs/dbraw/zinc/26/06/45/1062260645.db2.gz IYOIIFAKBNJJOU-HXUWFJFHSA-N 1 1 457.623 2.517 20 0 JFADMO Cc1nc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCn2cc[nH+]c2C)cs1 ZINC001290470083 1062260946 /nfs/dbraw/zinc/26/09/46/1062260946.db2.gz ZMLDTSPOOPOVOI-HNAYVOBHSA-N 1 1 492.675 2.980 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001294698468 1062260995 /nfs/dbraw/zinc/26/09/95/1062260995.db2.gz XRIWXOZUYTUFOI-CEWLAPEOSA-N 1 1 482.695 2.548 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC001290470822 1062262230 /nfs/dbraw/zinc/26/22/30/1062262230.db2.gz OLUWENUQGODBDC-FQEVSTJZSA-N 1 1 455.559 2.819 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294699501 1062263186 /nfs/dbraw/zinc/26/31/86/1062263186.db2.gz PYJYZNUTMSIUDB-NRFANRHFSA-N 1 1 484.645 2.950 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294699398 1062263481 /nfs/dbraw/zinc/26/34/81/1062263481.db2.gz PKXJJJSOSBGKMP-OALUTQOASA-N 1 1 478.638 2.819 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699505 1062264133 /nfs/dbraw/zinc/26/41/33/1062264133.db2.gz OSINPPOHQACOEO-HXUWFJFHSA-N 1 1 478.663 2.877 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001294699666 1062264432 /nfs/dbraw/zinc/26/44/32/1062264432.db2.gz RGTIPCXDHWJHOI-OAQYLSRUSA-N 1 1 456.639 2.684 20 0 JFADMO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287087029 1062265612 /nfs/dbraw/zinc/26/56/12/1062265612.db2.gz RAGNFQUEARIQCT-MQSCRBSSSA-N 1 1 490.693 2.525 20 0 JFADMO Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC001290482170 1062271972 /nfs/dbraw/zinc/27/19/72/1062271972.db2.gz GIYKLLSMJUNSSY-NRFANRHFSA-N 1 1 482.658 2.608 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294708016 1062272785 /nfs/dbraw/zinc/27/27/85/1062272785.db2.gz PTOAKOZXUJMEIW-RTWAWAEBSA-N 1 1 463.623 2.896 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294708017 1062273820 /nfs/dbraw/zinc/27/38/20/1062273820.db2.gz PTOAKOZXUJMEIW-SFTDATJTSA-N 1 1 463.623 2.896 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294708524 1062275598 /nfs/dbraw/zinc/27/55/98/1062275598.db2.gz RHBNUNPJBJETBO-ZLNRFVROSA-N 1 1 489.709 2.821 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294709150 1062276889 /nfs/dbraw/zinc/27/68/89/1062276889.db2.gz GYFANZFJASYBQN-OPYAIIAOSA-N 1 1 475.556 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294709143 1062276930 /nfs/dbraw/zinc/27/69/30/1062276930.db2.gz GYFANZFJASYBQN-DBXWQHBBSA-N 1 1 475.556 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294709422 1062277428 /nfs/dbraw/zinc/27/74/28/1062277428.db2.gz LOEZQHPOEPDUQQ-TZIWHRDSSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294712172 1062281641 /nfs/dbraw/zinc/28/16/41/1062281641.db2.gz QEVJXXGXOIKKGT-OKZBNKHCSA-N 1 1 472.556 2.899 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294712596 1062282977 /nfs/dbraw/zinc/28/29/77/1062282977.db2.gz UPCMXPFUIZUBCR-AZUAARDMSA-N 1 1 487.674 2.591 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294712704 1062283462 /nfs/dbraw/zinc/28/34/62/1062283462.db2.gz STRWRMIJTHHSFX-HSALFYBXSA-N 1 1 453.653 2.798 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713127 1062283626 /nfs/dbraw/zinc/28/36/26/1062283626.db2.gz TYYZGJYNWYPDKH-OALUTQOASA-N 1 1 459.639 2.607 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294712973 1062284858 /nfs/dbraw/zinc/28/48/58/1062284858.db2.gz WTHSIEVGNWGJNQ-RTWAWAEBSA-N 1 1 494.731 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294713168 1062285669 /nfs/dbraw/zinc/28/56/69/1062285669.db2.gz UQBKWPFTQHNFRF-MYDTUXCISA-N 1 1 490.693 2.803 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294713727 1062287468 /nfs/dbraw/zinc/28/74/68/1062287468.db2.gz ZRBAUSCPEPXHJW-BWKNWUBXSA-N 1 1 476.666 2.642 20 0 JFADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287092360 1062288038 /nfs/dbraw/zinc/28/80/38/1062288038.db2.gz AVRDILARUBCRPK-WOJBJXKFSA-N 1 1 492.665 2.982 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H]2CCOC2)cc1F ZINC001290501043 1062292934 /nfs/dbraw/zinc/29/29/34/1062292934.db2.gz IETAMAHLJPYOPJ-GOSISDBHSA-N 1 1 455.538 2.571 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)(C)C)C2)cn1 ZINC001290501554 1062293869 /nfs/dbraw/zinc/29/38/69/1062293869.db2.gz ONIVSQUBVVNHGW-APWZRJJASA-N 1 1 486.646 2.698 20 0 JFADMO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001290501762 1062294436 /nfs/dbraw/zinc/29/44/36/1062294436.db2.gz RMBWWRWANSLNMK-HXUWFJFHSA-N 1 1 470.666 2.793 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCCCCC2)cn1 ZINC001290501902 1062295929 /nfs/dbraw/zinc/29/59/29/1062295929.db2.gz UHBZBUMUMPWVOS-KRWDZBQOSA-N 1 1 472.619 2.596 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001290503318 1062298466 /nfs/dbraw/zinc/29/84/66/1062298466.db2.gz GGXMOFIKVLFZHH-SXLOBPIMSA-N 1 1 463.652 2.890 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)cc1F ZINC001290503938 1062300172 /nfs/dbraw/zinc/30/01/72/1062300172.db2.gz NAJLBPHUHXLJHL-UHFFFAOYSA-N 1 1 477.548 2.768 20 0 JFADMO CCCN1CCCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001294722727 1062300571 /nfs/dbraw/zinc/30/05/71/1062300571.db2.gz XBXIYYUHZAQCGS-UHFFFAOYSA-N 1 1 470.618 2.513 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001290504543 1062301369 /nfs/dbraw/zinc/30/13/69/1062301369.db2.gz VPSSKCYVPQICIO-AWEZNQCLSA-N 1 1 465.949 2.631 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CC(N)=O)cn1 ZINC001290504545 1062301758 /nfs/dbraw/zinc/30/17/58/1062301758.db2.gz VPSSKCYVPQICIO-CQSZACIVSA-N 1 1 465.949 2.631 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001290506479 1062304081 /nfs/dbraw/zinc/30/40/81/1062304081.db2.gz HTTJCAUIAMYWJD-UHFFFAOYSA-N 1 1 478.022 2.992 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001290506827 1062304126 /nfs/dbraw/zinc/30/41/26/1062304126.db2.gz FTWBKYZAAKWRBT-NRFANRHFSA-N 1 1 490.605 2.995 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001294724318 1062304161 /nfs/dbraw/zinc/30/41/61/1062304161.db2.gz CRWFDNSJMSKJCT-FQEVSTJZSA-N 1 1 454.619 2.677 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001294724318 1062304180 /nfs/dbraw/zinc/30/41/80/1062304180.db2.gz CRWFDNSJMSKJCT-FQEVSTJZSA-N 1 1 454.619 2.677 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290506872 1062304540 /nfs/dbraw/zinc/30/45/40/1062304540.db2.gz HXGOEYSCCFQROT-KRWDZBQOSA-N 1 1 455.538 2.648 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC001294724454 1062304689 /nfs/dbraw/zinc/30/46/89/1062304689.db2.gz PRLGWXUFOXIVHY-QFIPXVFZSA-N 1 1 468.646 2.939 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001290508423 1062306951 /nfs/dbraw/zinc/30/69/51/1062306951.db2.gz SVBGOSLRQNYHBR-JZXOWHBKSA-N 1 1 470.590 2.893 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001290510597 1062308026 /nfs/dbraw/zinc/30/80/26/1062308026.db2.gz FFVCQGNXGPVDKO-UHFFFAOYSA-N 1 1 484.649 2.631 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001290510620 1062308217 /nfs/dbraw/zinc/30/82/17/1062308217.db2.gz FOLTWNLHTPLYII-CVEARBPZSA-N 1 1 463.583 2.820 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccccn1 ZINC001290511239 1062309543 /nfs/dbraw/zinc/30/95/43/1062309543.db2.gz OKLAKANDJTWBPB-UHFFFAOYSA-N 1 1 494.625 2.822 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001290511214 1062309696 /nfs/dbraw/zinc/30/96/96/1062309696.db2.gz NSLHDCQGROINNX-UHFFFAOYSA-N 1 1 492.672 2.999 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1 ZINC001290513504 1062312151 /nfs/dbraw/zinc/31/21/51/1062312151.db2.gz ATLSNVMPYDCHET-UHFFFAOYSA-N 1 1 450.925 2.976 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@@H](C)C1 ZINC001290515490 1062315536 /nfs/dbraw/zinc/31/55/36/1062315536.db2.gz JTPQIAPZEJAYIH-AZUAARDMSA-N 1 1 489.621 2.797 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1 ZINC001290515492 1062315624 /nfs/dbraw/zinc/31/56/24/1062315624.db2.gz JTPQIAPZEJAYIH-QUCCMNQESA-N 1 1 489.621 2.797 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294734093 1062316684 /nfs/dbraw/zinc/31/66/84/1062316684.db2.gz OKHPLARXXCHHSO-OAQYLSRUSA-N 1 1 486.636 2.958 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1C ZINC001290518004 1062319031 /nfs/dbraw/zinc/31/90/31/1062319031.db2.gz RMDNZDTVUAMOSK-UHFFFAOYSA-N 1 1 467.603 2.543 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001290517990 1062319078 /nfs/dbraw/zinc/31/90/78/1062319078.db2.gz QYORFRWVTXOSED-IBGZPJMESA-N 1 1 457.966 2.853 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001290518046 1062319121 /nfs/dbraw/zinc/31/91/21/1062319121.db2.gz TWNDYRUUFSXFEX-UHFFFAOYSA-N 1 1 479.511 2.678 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001290521058 1062320265 /nfs/dbraw/zinc/32/02/65/1062320265.db2.gz HFDNOGMZWDIBKR-KSSFIOAISA-N 1 1 498.531 2.710 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)cn2C)nnc1N(C)Cc1cnccn1 ZINC001290520972 1062320450 /nfs/dbraw/zinc/32/04/50/1062320450.db2.gz FINCVGZLPQWEAH-UHFFFAOYSA-N 1 1 456.352 2.678 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001287108741 1062320671 /nfs/dbraw/zinc/32/06/71/1062320671.db2.gz DKZIIENYHBVRTD-QFIPXVFZSA-N 1 1 454.619 2.609 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001290523946 1062324216 /nfs/dbraw/zinc/32/42/16/1062324216.db2.gz VOAHLEBXPLPXJH-VQTJNVASSA-N 1 1 457.623 2.756 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC(=O)NC(C)C ZINC001290523955 1062324397 /nfs/dbraw/zinc/32/43/97/1062324397.db2.gz VRWIPVWYPIZJBX-LJQANCHMSA-N 1 1 488.637 2.559 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001290524210 1062324870 /nfs/dbraw/zinc/32/48/70/1062324870.db2.gz ZMOWUOXKKARCIY-GOSISDBHSA-N 1 1 459.558 2.596 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001290524393 1062325186 /nfs/dbraw/zinc/32/51/86/1062325186.db2.gz AYHULHDEBULMDP-HKUYNNGSSA-N 1 1 489.621 2.795 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001290525103 1062327687 /nfs/dbraw/zinc/32/76/87/1062327687.db2.gz XFBQYBWTIKKPRL-MRXNPFEDSA-N 1 1 460.526 2.554 20 0 JFADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741894 1062328191 /nfs/dbraw/zinc/32/81/91/1062328191.db2.gz SRONZDAMFXGAQO-LRDDRELGSA-N 1 1 453.914 2.580 20 0 JFADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741895 1062328239 /nfs/dbraw/zinc/32/82/39/1062328239.db2.gz SRONZDAMFXGAQO-MLGOLLRUSA-N 1 1 453.914 2.580 20 0 JFADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741897 1062328558 /nfs/dbraw/zinc/32/85/58/1062328558.db2.gz SRONZDAMFXGAQO-WBMJQRKESA-N 1 1 453.914 2.580 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001294744441 1062336029 /nfs/dbraw/zinc/33/60/29/1062336029.db2.gz UGQBYKWQNDUPJP-SFHVURJKSA-N 1 1 455.607 2.818 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001294744312 1062336119 /nfs/dbraw/zinc/33/61/19/1062336119.db2.gz QWAMQGJNTUHIKL-SFTDATJTSA-N 1 1 487.693 2.767 20 0 JFADMO Cc1nccnc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001290537388 1062337120 /nfs/dbraw/zinc/33/71/20/1062337120.db2.gz BBAJQUGWDMJSND-OAQYLSRUSA-N 1 1 470.666 2.649 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001290537404 1062337337 /nfs/dbraw/zinc/33/73/37/1062337337.db2.gz BGXFTLJRGFUIKY-SFHVURJKSA-N 1 1 456.639 2.765 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294745555 1062337635 /nfs/dbraw/zinc/33/76/35/1062337635.db2.gz RTXUXRDOUXPZBE-VXKWHMMOSA-N 1 1 474.675 2.776 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001287115109 1062340451 /nfs/dbraw/zinc/34/04/51/1062340451.db2.gz AXODFMFTSQNHIN-JOCHJYFZSA-N 1 1 499.635 2.526 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001287115194 1062340900 /nfs/dbraw/zinc/34/09/00/1062340900.db2.gz CSOXBZRRPKDSBN-HXUWFJFHSA-N 1 1 496.660 2.931 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 ZINC001294754547 1062343973 /nfs/dbraw/zinc/34/39/73/1062343973.db2.gz FSYXIMCVALKDJK-VQTJNVASSA-N 1 1 482.695 2.502 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294754730 1062344212 /nfs/dbraw/zinc/34/42/12/1062344212.db2.gz IETMLAIORKXADM-DLBZAZTESA-N 1 1 467.586 2.645 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294754933 1062345048 /nfs/dbraw/zinc/34/50/48/1062345048.db2.gz KPTQCUKAPFXVDO-LADGPHEKSA-N 1 1 467.662 2.700 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294755228 1062345495 /nfs/dbraw/zinc/34/54/95/1062345495.db2.gz NIXAVGKQMAEFDB-NRFANRHFSA-N 1 1 495.093 2.868 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001287116196 1062345686 /nfs/dbraw/zinc/34/56/86/1062345686.db2.gz KQGCXTHPEUWLEL-KRWDZBQOSA-N 1 1 460.573 2.934 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294756795 1062346703 /nfs/dbraw/zinc/34/67/03/1062346703.db2.gz GIHIJBQIRISUBB-NRFANRHFSA-N 1 1 489.686 2.960 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294757164 1062347568 /nfs/dbraw/zinc/34/75/68/1062347568.db2.gz JSQOCZWTOHFLJL-CTNGQTDRSA-N 1 1 459.664 2.861 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001294757496 1062348201 /nfs/dbraw/zinc/34/82/01/1062348201.db2.gz NKSBWWGMRMDBCJ-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294758453 1062348659 /nfs/dbraw/zinc/34/86/59/1062348659.db2.gz WSTAQWNMKMXNCH-SFTDATJTSA-N 1 1 454.619 2.648 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CC)n2CC2CCN(CC[NH+](C)C)CC2)c2ccccc2c1=O ZINC001294764600 1062353406 /nfs/dbraw/zinc/35/34/06/1062353406.db2.gz MWPGBVDBNXKWTF-UHFFFAOYSA-N 1 1 480.661 2.795 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O ZINC001294765504 1062356398 /nfs/dbraw/zinc/35/63/98/1062356398.db2.gz WZNKUYFJSBGAKL-QYZOEREBSA-N 1 1 477.654 2.925 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001287120393 1062362763 /nfs/dbraw/zinc/36/27/63/1062362763.db2.gz QMIHHSDTQBENKA-CTNGQTDRSA-N 1 1 473.666 2.625 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001287120418 1062363323 /nfs/dbraw/zinc/36/33/23/1062363323.db2.gz QQGMYURHVIYTSO-SFHVURJKSA-N 1 1 480.617 2.675 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001287120753 1062364196 /nfs/dbraw/zinc/36/41/96/1062364196.db2.gz SSFARGCZFQPKGV-FQEVSTJZSA-N 1 1 456.639 2.684 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001294770400 1062368388 /nfs/dbraw/zinc/36/83/88/1062368388.db2.gz FTHXHNWUFSUTBK-RTBURBONSA-N 1 1 469.634 2.523 20 0 JFADMO CCCn1nc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001294770817 1062369339 /nfs/dbraw/zinc/36/93/39/1062369339.db2.gz KILYBEARCCDWGQ-NQIIRXRSSA-N 1 1 467.618 2.612 20 0 JFADMO CCCn1nc(-c2nnc(N3CCOCC3)n2CC[N@@H+](C)[C@H](C)CC)c2ccccc2c1=O ZINC001294771756 1062371295 /nfs/dbraw/zinc/37/12/95/1062371295.db2.gz SUMOPVCFEPHZII-GOSISDBHSA-N 1 1 453.591 2.632 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001294781155 1062386343 /nfs/dbraw/zinc/38/63/43/1062386343.db2.gz REBNKBJBOVPWOQ-LEWJYISDSA-N 1 1 499.660 2.979 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287126943 1062394923 /nfs/dbraw/zinc/39/49/23/1062394923.db2.gz GDDCBQGZWDTTTG-RBBKRZOGSA-N 1 1 487.693 2.872 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287127619 1062396228 /nfs/dbraw/zinc/39/62/28/1062396228.db2.gz KYEBSRBJPNNICU-HSZRJFAPSA-N 1 1 478.645 2.942 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001287127500 1062396689 /nfs/dbraw/zinc/39/66/89/1062396689.db2.gz JSPIHNHKYCNKJV-IFMALSPDSA-N 1 1 454.619 2.655 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(Cl)c(F)cc1Br ZINC001290589119 1062399980 /nfs/dbraw/zinc/39/99/80/1062399980.db2.gz LBTKGSUMQLKLJW-UHFFFAOYSA-N 1 1 456.747 2.974 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294791945 1062411178 /nfs/dbraw/zinc/41/11/78/1062411178.db2.gz PYGXGVXGYWWODN-OAQYLSRUSA-N 1 1 454.619 2.799 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294791945 1062411196 /nfs/dbraw/zinc/41/11/96/1062411196.db2.gz PYGXGVXGYWWODN-OAQYLSRUSA-N 1 1 454.619 2.799 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)noc3C)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001290593059 1062415369 /nfs/dbraw/zinc/41/53/69/1062415369.db2.gz FKTARHYLMQZVBJ-UHFFFAOYSA-N 1 1 483.665 2.655 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001290594683 1062416004 /nfs/dbraw/zinc/41/60/04/1062416004.db2.gz VFCOLISWOYJMDT-NRFANRHFSA-N 1 1 470.622 2.738 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001294797667 1062434700 /nfs/dbraw/zinc/43/47/00/1062434700.db2.gz VSZWRYFFCNIDAA-MHTWAQMVSA-N 1 1 487.693 2.728 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@H](C)C[NH+]2CCOCC2)n1 ZINC001290605708 1062442966 /nfs/dbraw/zinc/44/29/66/1062442966.db2.gz NGPGIRUWBDDVHM-GOSISDBHSA-N 1 1 457.648 2.848 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)C(C)C)C1 ZINC001294800665 1062442962 /nfs/dbraw/zinc/44/29/62/1062442962.db2.gz NKJNIHOOZRHBFB-QFIPXVFZSA-N 1 1 497.692 2.535 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@H+]1Cc1ccccc1 ZINC001294801245 1062444067 /nfs/dbraw/zinc/44/40/67/1062444067.db2.gz GBXZKBMDLBQBPH-PBHICJAKSA-N 1 1 456.340 2.824 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCCCS2)n1 ZINC001290612164 1062454664 /nfs/dbraw/zinc/45/46/64/1062454664.db2.gz DHIIRMVAVIHYOF-FQEVSTJZSA-N 1 1 461.680 2.972 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H]2CCCCS2)n1 ZINC001290612164 1062454676 /nfs/dbraw/zinc/45/46/76/1062454676.db2.gz DHIIRMVAVIHYOF-FQEVSTJZSA-N 1 1 461.680 2.972 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001294805743 1062457772 /nfs/dbraw/zinc/45/77/72/1062457772.db2.gz UYNLFSUCUYAZAT-IRLDBZIGSA-N 1 1 453.635 2.881 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC2CCOCC2)n1 ZINC001290612776 1062459800 /nfs/dbraw/zinc/45/98/00/1062459800.db2.gz VLGJWMKWRLYQGI-OYRHEFFESA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC2CCOCC2)n1 ZINC001290612776 1062459808 /nfs/dbraw/zinc/45/98/08/1062459808.db2.gz VLGJWMKWRLYQGI-OYRHEFFESA-N 1 1 459.639 2.502 20 0 JFADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC001290615664 1062463961 /nfs/dbraw/zinc/46/39/61/1062463961.db2.gz CVVOHJVZHDWBNB-FAGMFQSGSA-N 1 1 458.367 2.601 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617578 1062471581 /nfs/dbraw/zinc/47/15/81/1062471581.db2.gz KPKDHMHVGJSZBQ-PMACEKPBSA-N 1 1 472.638 2.680 20 0 JFADMO CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001287137322 1062477877 /nfs/dbraw/zinc/47/78/77/1062477877.db2.gz APUUKVBNMLBIBI-HSZRJFAPSA-N 1 1 468.646 2.903 20 0 JFADMO CNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001290619374 1062478985 /nfs/dbraw/zinc/47/89/85/1062478985.db2.gz RPHWXNSQADIWPM-DEOSSOPVSA-N 1 1 453.583 2.652 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001290620625 1062482284 /nfs/dbraw/zinc/48/22/84/1062482284.db2.gz MELRFKZSYZZEMM-QFIPXVFZSA-N 1 1 481.567 2.931 20 0 JFADMO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287138582 1062485147 /nfs/dbraw/zinc/48/51/47/1062485147.db2.gz IPEIWEWHGNIHOM-SZPZYZBQSA-N 1 1 473.710 2.778 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCOC(C)C)n1 ZINC001290626521 1062500159 /nfs/dbraw/zinc/50/01/59/1062500159.db2.gz ZZMYSBWHENHVHS-SZPZYZBQSA-N 1 1 473.666 2.890 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001294828104 1062514713 /nfs/dbraw/zinc/51/47/13/1062514713.db2.gz JURTWADLJDUMNV-OAQYLSRUSA-N 1 1 472.609 2.796 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001294833894 1062523047 /nfs/dbraw/zinc/52/30/47/1062523047.db2.gz JHYPYEXNSNRRDT-UHFFFAOYSA-N 1 1 469.565 2.944 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001294833917 1062523530 /nfs/dbraw/zinc/52/35/30/1062523530.db2.gz JPBAWPBZJIMLIW-SQOUVECCSA-N 1 1 490.693 2.865 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640125 1062525655 /nfs/dbraw/zinc/52/56/55/1062525655.db2.gz RQHFASSIXDZZKP-LEWJYISDSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640125 1062525674 /nfs/dbraw/zinc/52/56/74/1062525674.db2.gz RQHFASSIXDZZKP-LEWJYISDSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640126 1062525858 /nfs/dbraw/zinc/52/58/58/1062525858.db2.gz RQHFASSIXDZZKP-NHCUHLMSSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001290640126 1062525882 /nfs/dbraw/zinc/52/58/82/1062525882.db2.gz RQHFASSIXDZZKP-NHCUHLMSSA-N 1 1 491.706 2.664 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001290640418 1062527015 /nfs/dbraw/zinc/52/70/15/1062527015.db2.gz QXIQYVROBYGJOV-UHFFFAOYSA-N 1 1 456.561 2.554 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001290640956 1062528493 /nfs/dbraw/zinc/52/84/93/1062528493.db2.gz MRMXINDJGPDCSH-ZWKOTPCHSA-N 1 1 468.572 2.695 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2Cc2cccc(C(C)(C)O)c2)n1 ZINC001290645528 1062534807 /nfs/dbraw/zinc/53/48/07/1062534807.db2.gz BAZVZZJRJFWJSF-UHFFFAOYSA-N 1 1 495.672 2.962 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294841243 1062535262 /nfs/dbraw/zinc/53/52/62/1062535262.db2.gz YMNFMDQOPVGVIK-PXNSSMCTSA-N 1 1 461.010 2.672 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287154613 1062536856 /nfs/dbraw/zinc/53/68/56/1062536856.db2.gz ZGCAXQPAGIDKOM-HXUWFJFHSA-N 1 1 483.661 2.828 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287154613 1062536871 /nfs/dbraw/zinc/53/68/71/1062536871.db2.gz ZGCAXQPAGIDKOM-HXUWFJFHSA-N 1 1 483.661 2.828 20 0 JFADMO CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001294851158 1062551739 /nfs/dbraw/zinc/55/17/39/1062551739.db2.gz VQXPKANAHVAMTM-UHFFFAOYSA-N 1 1 451.550 2.718 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)n2CC[N@H+](C)C(C)C)n1 ZINC001290653482 1062552028 /nfs/dbraw/zinc/55/20/28/1062552028.db2.gz RDAXRWAEINTSOK-OYRHEFFESA-N 1 1 486.665 2.783 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159218 1062554683 /nfs/dbraw/zinc/55/46/83/1062554683.db2.gz KRXRCGXWNVWNPQ-JOCHJYFZSA-N 1 1 462.683 2.840 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)[NH+]1CCOCC1 ZINC001287160172 1062557873 /nfs/dbraw/zinc/55/78/73/1062557873.db2.gz PZNXJYBMWSTZCU-KRDILKHZSA-N 1 1 489.686 2.903 20 0 JFADMO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001287162999 1062567007 /nfs/dbraw/zinc/56/70/07/1062567007.db2.gz QCTNKPXMSKNTKT-IRXDYDNUSA-N 1 1 467.039 2.937 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287163492 1062569730 /nfs/dbraw/zinc/56/97/30/1062569730.db2.gz WGKAHDLHDTXKND-QHCPKHFHSA-N 1 1 469.678 2.931 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163468 1062569895 /nfs/dbraw/zinc/56/98/95/1062569895.db2.gz RISVFHQWTXLCRT-VQTJNVASSA-N 1 1 462.639 2.958 20 0 JFADMO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001290661283 1062570055 /nfs/dbraw/zinc/57/00/55/1062570055.db2.gz VJHAWLQIRCTDRH-JOCHJYFZSA-N 1 1 452.607 2.789 20 0 JFADMO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001287164042 1062572673 /nfs/dbraw/zinc/57/26/73/1062572673.db2.gz VDKXXOZBUSPXSE-VQTJNVASSA-N 1 1 461.010 2.876 20 0 JFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868061 1062572724 /nfs/dbraw/zinc/57/27/24/1062572724.db2.gz PKCSPWGNQYMESR-CQOQZXRMSA-N 1 1 453.558 2.677 20 0 JFADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868063 1062572841 /nfs/dbraw/zinc/57/28/41/1062572841.db2.gz PKCSPWGNQYMESR-WPFOTENUSA-N 1 1 453.558 2.677 20 0 JFADMO CCCNC(=O)CCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294869170 1062574115 /nfs/dbraw/zinc/57/41/15/1062574115.db2.gz CGTLFYLSBHFDCH-UNMCSNQZSA-N 1 1 486.686 2.952 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC001287165918 1062576823 /nfs/dbraw/zinc/57/68/23/1062576823.db2.gz WJTJZVHGROVPQX-LEWJYISDSA-N 1 1 492.571 2.840 20 0 JFADMO Cc1cccc(C(=O)N2CCCN(C(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC001290669452 1062579918 /nfs/dbraw/zinc/57/99/18/1062579918.db2.gz PCDICINMBQBDTP-UHFFFAOYSA-N 1 1 458.603 2.659 20 0 JFADMO Cc1nnc([C@H]2CN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC[N@H+](C)C(C)C)CCO2)o1 ZINC001290673752 1062583798 /nfs/dbraw/zinc/58/37/98/1062583798.db2.gz MMIWMZUYELFZNN-HXUWFJFHSA-N 1 1 482.589 2.757 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001287184153 1062610157 /nfs/dbraw/zinc/61/01/57/1062610157.db2.gz OLBBIPOFPCTRHZ-UHFFFAOYSA-N 1 1 450.628 2.815 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001287184153 1062610170 /nfs/dbraw/zinc/61/01/70/1062610170.db2.gz OLBBIPOFPCTRHZ-UHFFFAOYSA-N 1 1 450.628 2.815 20 0 JFADMO CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287187112 1062613550 /nfs/dbraw/zinc/61/35/50/1062613550.db2.gz RXNQEPCTYBYMLT-UHFFFAOYSA-N 1 1 455.694 2.777 20 0 JFADMO CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187535 1062613571 /nfs/dbraw/zinc/61/35/71/1062613571.db2.gz XOMLQZYMPQTIRB-UXHICEINSA-N 1 1 491.681 2.886 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287193388 1062622590 /nfs/dbraw/zinc/62/25/90/1062622590.db2.gz PFUSBKSBUMKEMV-IFMALSPDSA-N 1 1 474.675 2.784 20 0 JFADMO CC(C)c1nnc(N2CCC(CCCN3CCOCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001287196508 1062628058 /nfs/dbraw/zinc/62/80/58/1062628058.db2.gz LYBQHNNWZHPWHJ-UHFFFAOYSA-N 1 1 450.697 2.779 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001290700213 1062634850 /nfs/dbraw/zinc/63/48/50/1062634850.db2.gz IFZYIGBMVCGSRW-HXUWFJFHSA-N 1 1 456.543 2.515 20 0 JFADMO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001290699979 1062634965 /nfs/dbraw/zinc/63/49/65/1062634965.db2.gz CYMYSAKCBPTQJR-BJKOFHAPSA-N 1 1 469.029 2.836 20 0 JFADMO CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001294899864 1062636236 /nfs/dbraw/zinc/63/62/36/1062636236.db2.gz NFAIFSXBHQXVCC-FGZHOGPDSA-N 1 1 454.619 2.799 20 0 JFADMO CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001287208053 1062653829 /nfs/dbraw/zinc/65/38/29/1062653829.db2.gz RHUFDNUSLOZASC-UHFFFAOYSA-N 1 1 476.025 2.663 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001287208053 1062653838 /nfs/dbraw/zinc/65/38/38/1062653838.db2.gz RHUFDNUSLOZASC-UHFFFAOYSA-N 1 1 476.025 2.663 20 0 JFADMO CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001287207570 1062653882 /nfs/dbraw/zinc/65/38/82/1062653882.db2.gz OWHOUIMVCSFMME-UHFFFAOYSA-N 1 1 467.662 2.845 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001287207570 1062653889 /nfs/dbraw/zinc/65/38/89/1062653889.db2.gz OWHOUIMVCSFMME-UHFFFAOYSA-N 1 1 467.662 2.845 20 0 JFADMO CCCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001294911151 1062662559 /nfs/dbraw/zinc/66/25/59/1062662559.db2.gz XEMSVJBJKRUBOD-UHFFFAOYSA-N 1 1 454.619 2.881 20 0 JFADMO Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290749979 1062668534 /nfs/dbraw/zinc/66/85/34/1062668534.db2.gz JCGRWVHSMJAPDO-SESVDKBCSA-N 1 1 462.639 2.923 20 0 JFADMO Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290751247 1062669527 /nfs/dbraw/zinc/66/95/27/1062669527.db2.gz PHCPGFVOKBDAPK-SIKLNZKXSA-N 1 1 484.649 2.543 20 0 JFADMO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001290759537 1062671829 /nfs/dbraw/zinc/67/18/29/1062671829.db2.gz GJAIPHAGJOMTKS-LJQANCHMSA-N 1 1 451.493 2.549 20 0 JFADMO Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290759579 1062672866 /nfs/dbraw/zinc/67/28/66/1062672866.db2.gz HOWXKOOIOGGFOQ-SVFBPWRDSA-N 1 1 454.619 2.964 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213918 1062674221 /nfs/dbraw/zinc/67/42/21/1062674221.db2.gz HJHSQBGYZIFKFA-GOSISDBHSA-N 1 1 462.545 2.794 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287214243 1062676461 /nfs/dbraw/zinc/67/64/61/1062676461.db2.gz KUURPVQCRBIQER-UHFFFAOYSA-N 1 1 476.572 2.753 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287214243 1062676477 /nfs/dbraw/zinc/67/64/77/1062676477.db2.gz KUURPVQCRBIQER-UHFFFAOYSA-N 1 1 476.572 2.753 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001294917101 1062679417 /nfs/dbraw/zinc/67/94/17/1062679417.db2.gz KIYVXJGVZVSIGG-UHFFFAOYSA-N 1 1 472.590 2.906 20 0 JFADMO CC(C)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287214662 1062680651 /nfs/dbraw/zinc/68/06/51/1062680651.db2.gz XKWUSSGKWNPFLV-HSZRJFAPSA-N 1 1 470.662 2.939 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287215166 1062682892 /nfs/dbraw/zinc/68/28/92/1062682892.db2.gz YYFZWFWLRLKVHN-JOCHJYFZSA-N 1 1 472.609 2.740 20 0 JFADMO CCCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001294919962 1062683687 /nfs/dbraw/zinc/68/36/87/1062683687.db2.gz COFULIGZFBJMIC-ISKFKSNPSA-N 1 1 498.672 2.924 20 0 JFADMO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001287215546 1062686198 /nfs/dbraw/zinc/68/61/98/1062686198.db2.gz ACUJHJUYSYYZJO-SFHVURJKSA-N 1 1 495.653 2.610 20 0 JFADMO CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001294921183 1062689127 /nfs/dbraw/zinc/68/91/27/1062689127.db2.gz YQZVVCGAIFGPQU-SFLYRZDNSA-N 1 1 484.645 2.629 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001294924645 1062694457 /nfs/dbraw/zinc/69/44/57/1062694457.db2.gz KBXPDIBVYUGQFQ-MSOLQXFVSA-N 1 1 470.618 2.892 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001287216933 1062695953 /nfs/dbraw/zinc/69/59/53/1062695953.db2.gz WOZBTXDCTSGBIZ-QHCPKHFHSA-N 1 1 480.679 2.667 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290800046 1062704604 /nfs/dbraw/zinc/70/46/04/1062704604.db2.gz BWLRSIDAXRSYQQ-KDURUIRLSA-N 1 1 454.619 2.873 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287220632 1062705369 /nfs/dbraw/zinc/70/53/69/1062705369.db2.gz XWWOPPMGCZIROA-QHCPKHFHSA-N 1 1 483.661 2.519 20 0 JFADMO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC(=O)NCc1ccco1 ZINC001287222822 1062709262 /nfs/dbraw/zinc/70/92/62/1062709262.db2.gz ITDCELIALKQTQG-UHFFFAOYSA-N 1 1 452.559 2.512 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224052 1062711701 /nfs/dbraw/zinc/71/17/01/1062711701.db2.gz RNQFYRNMTOSAOE-NRFANRHFSA-N 1 1 462.589 2.959 20 0 JFADMO Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290818361 1062713838 /nfs/dbraw/zinc/71/38/38/1062713838.db2.gz CVIWKDXHEOMRQE-QGZVFWFLSA-N 1 1 461.998 2.601 20 0 JFADMO Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290818361 1062713855 /nfs/dbraw/zinc/71/38/55/1062713855.db2.gz CVIWKDXHEOMRQE-QGZVFWFLSA-N 1 1 461.998 2.601 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819210 1062715072 /nfs/dbraw/zinc/71/50/72/1062715072.db2.gz CWUZEUNSESDFMM-CVDCTZTESA-N 1 1 456.537 2.813 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819210 1062715088 /nfs/dbraw/zinc/71/50/88/1062715088.db2.gz CWUZEUNSESDFMM-CVDCTZTESA-N 1 1 456.537 2.813 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819210 1062715109 /nfs/dbraw/zinc/71/51/09/1062715109.db2.gz CWUZEUNSESDFMM-CVDCTZTESA-N 1 1 456.537 2.813 20 0 JFADMO CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001287229021 1062716380 /nfs/dbraw/zinc/71/63/80/1062716380.db2.gz UIMAMWXZCODUNG-ZWKOTPCHSA-N 1 1 459.595 2.906 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001294939250 1062718269 /nfs/dbraw/zinc/71/82/69/1062718269.db2.gz MXKAPRCTQPXCMY-LJQANCHMSA-N 1 1 459.591 2.690 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001294939250 1062718288 /nfs/dbraw/zinc/71/82/88/1062718288.db2.gz MXKAPRCTQPXCMY-LJQANCHMSA-N 1 1 459.591 2.690 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001294939731 1062721777 /nfs/dbraw/zinc/72/17/77/1062721777.db2.gz YXKDLTVBMXAWDQ-ICSRJNTNSA-N 1 1 470.618 2.894 20 0 JFADMO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001290828225 1062722299 /nfs/dbraw/zinc/72/22/99/1062722299.db2.gz JNSBVQDUTCEYPD-JTHBVZDNSA-N 1 1 454.619 2.590 20 0 JFADMO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)C1 ZINC001287232204 1062723399 /nfs/dbraw/zinc/72/33/99/1062723399.db2.gz NZKPEFLVGWMAEO-IBGZPJMESA-N 1 1 460.648 2.864 20 0 JFADMO CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)cc1 ZINC001294946995 1062731564 /nfs/dbraw/zinc/73/15/64/1062731564.db2.gz BVHKEAGEGAQDLH-RUZDIDTESA-N 1 1 470.618 2.554 20 0 JFADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 ZINC001290862566 1062746291 /nfs/dbraw/zinc/74/62/91/1062746291.db2.gz QNDSSBCHNMHXNS-UHFFFAOYSA-N 1 1 451.546 2.762 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)CCO1 ZINC001287274051 1062747500 /nfs/dbraw/zinc/74/75/00/1062747500.db2.gz ICKKTTTYLKWOEN-IBGZPJMESA-N 1 1 481.439 2.630 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC001294966652 1062748286 /nfs/dbraw/zinc/74/82/86/1062748286.db2.gz GVLZWMYBEZUWCW-HFTRVMKXSA-N 1 1 457.434 2.784 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC001294966652 1062748310 /nfs/dbraw/zinc/74/83/10/1062748310.db2.gz GVLZWMYBEZUWCW-HFTRVMKXSA-N 1 1 457.434 2.784 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870456 1062756062 /nfs/dbraw/zinc/75/60/62/1062756062.db2.gz SZGRPGYYRVUUQX-XMSQKQJNSA-N 1 1 453.002 2.921 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290870825 1062757006 /nfs/dbraw/zinc/75/70/06/1062757006.db2.gz YDBFUKWURKBGIH-ZJSXRUAMSA-N 1 1 467.662 2.535 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001287284434 1062758991 /nfs/dbraw/zinc/75/89/91/1062758991.db2.gz XMSUIPJZHNGNDX-PMACEKPBSA-N 1 1 459.664 2.794 20 0 JFADMO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001290886867 1062765621 /nfs/dbraw/zinc/76/56/21/1062765621.db2.gz CPQJUUJFZGJAAA-DHIUTWEWSA-N 1 1 484.645 2.881 20 0 JFADMO Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290887419 1062766417 /nfs/dbraw/zinc/76/64/17/1062766417.db2.gz FAWHIEFKMFEMQW-LEWJYISDSA-N 1 1 479.000 2.900 20 0 JFADMO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001290887568 1062767113 /nfs/dbraw/zinc/76/71/13/1062767113.db2.gz FYSCZKBQYOTWGG-PXNSSMCTSA-N 1 1 464.408 2.774 20 0 JFADMO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290888605 1062767599 /nfs/dbraw/zinc/76/75/99/1062767599.db2.gz WXSWAJQLXXNFFY-RXVVDRJESA-N 1 1 458.607 2.837 20 0 JFADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892080 1062769654 /nfs/dbraw/zinc/76/96/54/1062769654.db2.gz RSDQJQFUCSNLGN-RXVVDRJESA-N 1 1 458.603 2.612 20 0 JFADMO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001287299063 1062772371 /nfs/dbraw/zinc/77/23/71/1062772371.db2.gz MKESZRSFCUWKJN-GLDPYIMESA-N 1 1 494.706 2.995 20 0 JFADMO Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001290902731 1062777013 /nfs/dbraw/zinc/77/70/13/1062777013.db2.gz VDJGKOXJSHYMLH-OAQYLSRUSA-N 1 1 458.603 2.573 20 0 JFADMO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC001290902881 1062777728 /nfs/dbraw/zinc/77/77/28/1062777728.db2.gz QKEWIYFYQZPYGT-AZUAARDMSA-N 1 1 474.654 2.507 20 0 JFADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290908604 1062784058 /nfs/dbraw/zinc/78/40/58/1062784058.db2.gz JHZJKPLWVBKONA-MRXNPFEDSA-N 1 1 454.579 2.691 20 0 JFADMO Cc1noc(C)c1[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290908604 1062784066 /nfs/dbraw/zinc/78/40/66/1062784066.db2.gz JHZJKPLWVBKONA-MRXNPFEDSA-N 1 1 454.579 2.691 20 0 JFADMO CCCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001294997383 1062784362 /nfs/dbraw/zinc/78/43/62/1062784362.db2.gz RGKFXXIQBWTBOT-XUVXKRRUSA-N 1 1 470.684 2.548 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCOCC2)CC1 ZINC001295005761 1062792821 /nfs/dbraw/zinc/79/28/21/1062792821.db2.gz HVVCGVAYKAALBH-QFIPXVFZSA-N 1 1 459.639 2.648 20 0 JFADMO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001290917689 1062793114 /nfs/dbraw/zinc/79/31/14/1062793114.db2.gz IFSZBQICDHCVSP-JOCHJYFZSA-N 1 1 473.666 2.555 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 ZINC001290920038 1062795133 /nfs/dbraw/zinc/79/51/33/1062795133.db2.gz BVJDYTTXBGWYKA-LJQANCHMSA-N 1 1 454.562 2.989 20 0 JFADMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3nccn4c(Br)cnc34)cc2)CC1 ZINC001290920398 1062796008 /nfs/dbraw/zinc/79/60/08/1062796008.db2.gz IMGNSVIBHRNQMG-UHFFFAOYSA-N 1 1 457.376 2.559 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295017051 1062812820 /nfs/dbraw/zinc/81/28/20/1062812820.db2.gz FGZDFPIXPFCPDN-LJQANCHMSA-N 1 1 490.674 2.736 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295017050 1062812925 /nfs/dbraw/zinc/81/29/25/1062812925.db2.gz FGZDFPIXPFCPDN-IBGZPJMESA-N 1 1 490.674 2.736 20 0 JFADMO CC(C)C[C@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1)[NH+](C)C ZINC001287339742 1062817525 /nfs/dbraw/zinc/81/75/25/1062817525.db2.gz YDJFDVYJOSKTQK-RUZDIDTESA-N 1 1 483.705 2.846 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001295018337 1062818425 /nfs/dbraw/zinc/81/84/25/1062818425.db2.gz WLJQFRHVWVVLAH-OAQYLSRUSA-N 1 1 491.706 2.846 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287350392 1062822878 /nfs/dbraw/zinc/82/28/78/1062822878.db2.gz DDRGKLUHUYISBJ-QFIPXVFZSA-N 1 1 489.686 2.517 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001295022387 1062825677 /nfs/dbraw/zinc/82/56/77/1062825677.db2.gz SLBIYRDWFYWIDL-QFIPXVFZSA-N 1 1 474.675 2.803 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001287356031 1062826888 /nfs/dbraw/zinc/82/68/88/1062826888.db2.gz JVTGNGGSOBIGCF-YADHBBJMSA-N 1 1 459.660 2.665 20 0 JFADMO C[C@H](CNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21)[NH+]1CCN(c2ccccc2)CC1 ZINC001290954307 1062829613 /nfs/dbraw/zinc/82/96/13/1062829613.db2.gz NKDULFRVKLMLAS-CQSZACIVSA-N 1 1 458.360 2.972 20 0 JFADMO Cc1cc(CN2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@H+](C)C(C)C)CC2)on1 ZINC001290970066 1062844223 /nfs/dbraw/zinc/84/42/23/1062844223.db2.gz PEAVNAOSVRVLEC-UHFFFAOYSA-N 1 1 458.636 2.593 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295045571 1062846884 /nfs/dbraw/zinc/84/68/84/1062846884.db2.gz ROXOKGJENXZMSM-QHAWAJNXSA-N 1 1 492.665 2.586 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001295047971 1062851138 /nfs/dbraw/zinc/85/11/38/1062851138.db2.gz BZMYGGYPZYEUDQ-NSHGMRRFSA-N 1 1 472.638 2.997 20 0 JFADMO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295052605 1062855816 /nfs/dbraw/zinc/85/58/16/1062855816.db2.gz BUSURYUEVOMWMW-OALUTQOASA-N 1 1 455.607 2.544 20 0 JFADMO CC(C)Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001287418748 1062856803 /nfs/dbraw/zinc/85/68/03/1062856803.db2.gz VOASEXLLLKSAMH-RUZDIDTESA-N 1 1 458.651 2.972 20 0 JFADMO CC(C)Cc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287420431 1062860485 /nfs/dbraw/zinc/86/04/85/1062860485.db2.gz QWGKLLFAHHOJOR-SANMLTNESA-N 1 1 472.653 2.987 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287420769 1062860551 /nfs/dbraw/zinc/86/05/51/1062860551.db2.gz KWXCVXVPUBZVII-UHFFFAOYSA-N 1 1 468.646 2.986 20 0 JFADMO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287420769 1062860569 /nfs/dbraw/zinc/86/05/69/1062860569.db2.gz KWXCVXVPUBZVII-UHFFFAOYSA-N 1 1 468.646 2.986 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287445494 1062879889 /nfs/dbraw/zinc/87/98/89/1062879889.db2.gz AUIPWUIEDIDNCS-NHCUHLMSSA-N 1 1 489.709 2.550 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996050 1062887994 /nfs/dbraw/zinc/88/79/94/1062887994.db2.gz AYUCZYISHOCEGG-CEXWTWQISA-N 1 1 477.679 2.676 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001295069203 1062889190 /nfs/dbraw/zinc/88/91/90/1062889190.db2.gz CDLAETUPOXBMLO-UHFFFAOYSA-N 1 1 480.617 2.629 20 0 JFADMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287456256 1062892876 /nfs/dbraw/zinc/89/28/76/1062892876.db2.gz BRVQULCAOKNWFF-UHFFFAOYSA-N 1 1 474.654 2.789 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295074811 1062901016 /nfs/dbraw/zinc/90/10/16/1062901016.db2.gz LHWPJEHGAQHJHT-UHFFFAOYSA-N 1 1 465.577 2.594 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295074916 1062901698 /nfs/dbraw/zinc/90/16/98/1062901698.db2.gz NGHAUICYRBBGTQ-HSZRJFAPSA-N 1 1 461.614 2.701 20 0 JFADMO COc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075718 1062902127 /nfs/dbraw/zinc/90/21/27/1062902127.db2.gz ARSWJHRKMZKTSB-ROUUACIJSA-N 1 1 457.596 2.871 20 0 JFADMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075718 1062902153 /nfs/dbraw/zinc/90/21/53/1062902153.db2.gz ARSWJHRKMZKTSB-ROUUACIJSA-N 1 1 457.596 2.871 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001295075805 1062903076 /nfs/dbraw/zinc/90/30/76/1062903076.db2.gz QLFYOPNZMUGIDP-UGKGYDQZSA-N 1 1 470.618 2.890 20 0 JFADMO CCN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001295078724 1062907266 /nfs/dbraw/zinc/90/72/66/1062907266.db2.gz QXTVSVBKUMZFBX-UHFFFAOYSA-N 1 1 454.619 2.690 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291010845 1062910181 /nfs/dbraw/zinc/91/01/81/1062910181.db2.gz BRFNQFANAJUAQA-JSXRDJHFSA-N 1 1 467.680 2.554 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291011317 1062911881 /nfs/dbraw/zinc/91/18/81/1062911881.db2.gz IUYRRBSLSOXAPY-JQVVWYNYSA-N 1 1 481.645 2.723 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001287465538 1062912255 /nfs/dbraw/zinc/91/22/55/1062912255.db2.gz MRKCOOQXYGEFQL-FCHUYYIVSA-N 1 1 473.710 2.778 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287465622 1062912755 /nfs/dbraw/zinc/91/27/55/1062912755.db2.gz ZAPIMGHHMLOCLC-HXUWFJFHSA-N 1 1 463.671 2.608 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291011944 1062914162 /nfs/dbraw/zinc/91/41/62/1062914162.db2.gz RQQAATZOHKIDBL-BGYRXZFFSA-N 1 1 466.696 2.775 20 0 JFADMO CC(C)OC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012114 1062915153 /nfs/dbraw/zinc/91/51/53/1062915153.db2.gz USGSLNZKTWNYHW-ZCNNSNEGSA-N 1 1 484.711 2.650 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012551 1062917060 /nfs/dbraw/zinc/91/70/60/1062917060.db2.gz AUGUBYSFOHLFJO-OTWHNJEPSA-N 1 1 480.704 2.684 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291013142 1062919506 /nfs/dbraw/zinc/91/95/06/1062919506.db2.gz JPASYQQZQVQULV-MBDNFAEBSA-N 1 1 481.707 2.944 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013783 1062921532 /nfs/dbraw/zinc/92/15/32/1062921532.db2.gz RQYQKPXGCJYZQW-HGJUEJDCSA-N 1 1 469.696 2.798 20 0 JFADMO CCN(C)C(=O)Cn1c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085482 1062922316 /nfs/dbraw/zinc/92/23/16/1062922316.db2.gz XTFKSICWQAQDAH-NVQXNPDNSA-N 1 1 484.645 2.508 20 0 JFADMO CCN(C)C(=O)Cn1c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085486 1062922654 /nfs/dbraw/zinc/92/26/54/1062922654.db2.gz XVCDXMSTSGSRPY-BKMJKUGQSA-N 1 1 484.645 2.508 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291015167 1062925341 /nfs/dbraw/zinc/92/53/41/1062925341.db2.gz NDSNKSMISZUPFB-ZCNNSNEGSA-N 1 1 493.649 2.988 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287475426 1062925294 /nfs/dbraw/zinc/92/52/94/1062925294.db2.gz TVXPXTCPKUGTAO-LJQANCHMSA-N 1 1 454.619 2.700 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287475424 1062925344 /nfs/dbraw/zinc/92/53/44/1062925344.db2.gz TVXPXTCPKUGTAO-IBGZPJMESA-N 1 1 454.619 2.700 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287476477 1062930035 /nfs/dbraw/zinc/93/00/35/1062930035.db2.gz JEENLEUYNBCEJO-OYRHEFFESA-N 1 1 473.710 2.634 20 0 JFADMO C[C@@H]1C[C@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291018009 1062931398 /nfs/dbraw/zinc/93/13/98/1062931398.db2.gz ZSWGGKDBKSUNTI-MXEMCNAFSA-N 1 1 485.633 2.676 20 0 JFADMO C[C@@H]1C[C@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291018009 1062931420 /nfs/dbraw/zinc/93/14/20/1062931420.db2.gz ZSWGGKDBKSUNTI-MXEMCNAFSA-N 1 1 485.633 2.676 20 0 JFADMO CC[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C[C@@H]1C ZINC001295104499 1062932420 /nfs/dbraw/zinc/93/24/20/1062932420.db2.gz UATFZPSCJWDINZ-HNNXBMFYSA-N 1 1 458.422 2.790 20 0 JFADMO CC[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)C[C@@H]1C ZINC001295104499 1062932444 /nfs/dbraw/zinc/93/24/44/1062932444.db2.gz UATFZPSCJWDINZ-HNNXBMFYSA-N 1 1 458.422 2.790 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CC(=O)NCC(F)(F)F ZINC001287481339 1062936089 /nfs/dbraw/zinc/93/60/89/1062936089.db2.gz IDSDNEKFFZSDEL-QGZVFWFLSA-N 1 1 452.525 2.866 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001295126336 1062940939 /nfs/dbraw/zinc/94/09/39/1062940939.db2.gz FJOIWSROMKXVDE-NRFANRHFSA-N 1 1 462.664 2.667 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287486042 1062942056 /nfs/dbraw/zinc/94/20/56/1062942056.db2.gz BVMNUEHIIYSZSP-QHCPKHFHSA-N 1 1 455.651 2.945 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001295127140 1062945111 /nfs/dbraw/zinc/94/51/11/1062945111.db2.gz MEPACZAENWXPJS-BBTUJRGHSA-N 1 1 463.648 2.540 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](COC)C2)c1 ZINC001295127791 1062947222 /nfs/dbraw/zinc/94/72/22/1062947222.db2.gz UQMHAAKKNXFRQJ-HSZRJFAPSA-N 1 1 450.587 2.616 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC001295128043 1062948266 /nfs/dbraw/zinc/94/82/66/1062948266.db2.gz ZVTIECQJRCKVHC-SANMLTNESA-N 1 1 484.645 2.691 20 0 JFADMO C[C@@H]1CC(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001291025354 1062948417 /nfs/dbraw/zinc/94/84/17/1062948417.db2.gz VQMHCESJZYGHQY-RTBURBONSA-N 1 1 459.639 2.677 20 0 JFADMO C[C@H]1CC(Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291025353 1062948472 /nfs/dbraw/zinc/94/84/72/1062948472.db2.gz VQMHCESJZYGHQY-OALUTQOASA-N 1 1 459.639 2.677 20 0 JFADMO C[C@@H]1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001291025352 1062948531 /nfs/dbraw/zinc/94/85/31/1062948531.db2.gz VQMHCESJZYGHQY-ACDBMABISA-N 1 1 459.639 2.677 20 0 JFADMO CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295128115 1062948750 /nfs/dbraw/zinc/94/87/50/1062948750.db2.gz WZBFWJPGXSMSFA-QHCPKHFHSA-N 1 1 482.654 2.777 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001295131986 1062949234 /nfs/dbraw/zinc/94/92/34/1062949234.db2.gz KKGZVYMHMFZOAR-HSZRJFAPSA-N 1 1 454.619 2.982 20 0 JFADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291029636 1062956754 /nfs/dbraw/zinc/95/67/54/1062956754.db2.gz BLWOUIMOPMIRHF-VNTMZGSJSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC001291029636 1062956779 /nfs/dbraw/zinc/95/67/79/1062956779.db2.gz BLWOUIMOPMIRHF-VNTMZGSJSA-N 1 1 490.674 2.630 20 0 JFADMO C[C@@H]1C[C@@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@@H+]1Cc1ccccc1 ZINC001295142550 1062960691 /nfs/dbraw/zinc/96/06/91/1062960691.db2.gz LILPOOXSGRYBLX-IEBWSBKVSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@@H]1C[C@@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@H+]1Cc1ccccc1 ZINC001295142550 1062960717 /nfs/dbraw/zinc/96/07/17/1062960717.db2.gz LILPOOXSGRYBLX-IEBWSBKVSA-N 1 1 450.514 2.904 20 0 JFADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145202 1062964467 /nfs/dbraw/zinc/96/44/67/1062964467.db2.gz AZCWUXOGSOHDPN-HKUYNNGSSA-N 1 1 456.486 2.593 20 0 JFADMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145202 1062964487 /nfs/dbraw/zinc/96/44/87/1062964487.db2.gz AZCWUXOGSOHDPN-HKUYNNGSSA-N 1 1 456.486 2.593 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001291043356 1062972452 /nfs/dbraw/zinc/97/24/52/1062972452.db2.gz BPZBWNXWHSWZAO-KZNAEPCWSA-N 1 1 466.627 2.784 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051105 1062980225 /nfs/dbraw/zinc/98/02/25/1062980225.db2.gz ACSRBTWCMNUPMZ-XOEOCAAJSA-N 1 1 462.683 2.574 20 0 JFADMO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001295157732 1062981297 /nfs/dbraw/zinc/98/12/97/1062981297.db2.gz IPVPBTQWSJDQPZ-LEWJYISDSA-N 1 1 496.077 2.849 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001291052019 1062983349 /nfs/dbraw/zinc/98/33/49/1062983349.db2.gz NCFSAQXWPOSRLP-HSALFYBXSA-N 1 1 470.609 2.796 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 ZINC001291052576 1062984489 /nfs/dbraw/zinc/98/44/89/1062984489.db2.gz VPIBSFSSTOVNSA-OYRHEFFESA-N 1 1 482.739 2.785 20 0 JFADMO CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001287566763 1062988176 /nfs/dbraw/zinc/98/81/76/1062988176.db2.gz NKHWMMSCMSPWCM-NRFANRHFSA-N 1 1 480.723 2.611 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295171576 1062995389 /nfs/dbraw/zinc/99/53/89/1062995389.db2.gz UULPQCVTXGXCLC-LJQANCHMSA-N 1 1 458.588 2.562 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060747 1062995616 /nfs/dbraw/zinc/99/56/16/1062995616.db2.gz NZTPVRHZWCBNEO-JRRMTSHWSA-N 1 1 496.722 2.746 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001291062108 1062999104 /nfs/dbraw/zinc/99/91/04/1062999104.db2.gz KWYXMFLBMLEQFX-KBWCOIMZSA-N 1 1 459.683 2.701 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295180345 1063002246 /nfs/dbraw/zinc/00/22/46/1063002246.db2.gz JAVOETDHAQEMRN-UNMCSNQZSA-N 1 1 468.627 2.965 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291063023 1063003357 /nfs/dbraw/zinc/00/33/57/1063003357.db2.gz IYMBHAOCRCCTAU-SJORKVTESA-N 1 1 474.675 2.942 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291063023 1063003375 /nfs/dbraw/zinc/00/33/75/1063003375.db2.gz IYMBHAOCRCCTAU-SJORKVTESA-N 1 1 474.675 2.942 20 0 JFADMO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287627781 1063008885 /nfs/dbraw/zinc/00/88/85/1063008885.db2.gz KXMAOKVRDPHGNL-QHAWAJNXSA-N 1 1 460.667 2.986 20 0 JFADMO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C)C1CCCCC1 ZINC001295217053 1063033153 /nfs/dbraw/zinc/03/31/53/1063033153.db2.gz LQGYXAKNOJOAAF-HXUWFJFHSA-N 1 1 470.684 2.500 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001287693013 1063040146 /nfs/dbraw/zinc/04/01/46/1063040146.db2.gz JEYNTPKQUZGPQL-PKOBYXMFSA-N 1 1 450.004 2.845 20 0 JFADMO CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228294 1063050311 /nfs/dbraw/zinc/05/03/11/1063050311.db2.gz OVNXLDCREWMBTK-FGZHOGPDSA-N 1 1 474.675 2.645 20 0 JFADMO CC(C)Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001287731291 1063053719 /nfs/dbraw/zinc/05/37/19/1063053719.db2.gz FOBPIFKGFUBWCY-VWLOTQADSA-N 1 1 462.683 2.970 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095506 1063054712 /nfs/dbraw/zinc/05/47/12/1063054712.db2.gz MUDSTHANYCKFGE-VQTJNVASSA-N 1 1 470.666 2.932 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096233 1063056886 /nfs/dbraw/zinc/05/68/86/1063056886.db2.gz ABIYNFGGPILKLM-YPAWHYETSA-N 1 1 497.706 2.672 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096232 1063056930 /nfs/dbraw/zinc/05/69/30/1063056930.db2.gz ABIYNFGGPILKLM-VSKRKVRLSA-N 1 1 497.706 2.672 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096320 1063057067 /nfs/dbraw/zinc/05/70/67/1063057067.db2.gz BWRYXODSLGELMC-PMACEKPBSA-N 1 1 468.712 2.897 20 0 JFADMO CC(C)CN1C[C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287733767 1063057228 /nfs/dbraw/zinc/05/72/28/1063057228.db2.gz QJGAXTMPLLQJEK-LEWJYISDSA-N 1 1 461.655 2.832 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291096865 1063059067 /nfs/dbraw/zinc/05/90/67/1063059067.db2.gz LVAAEUGSGMUBHN-QHAWAJNXSA-N 1 1 467.680 2.698 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736522 1063059841 /nfs/dbraw/zinc/05/98/41/1063059841.db2.gz ATYJWHNCRUKKIL-NMLBUPMWSA-N 1 1 452.669 2.635 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001291097261 1063059721 /nfs/dbraw/zinc/05/97/21/1063059721.db2.gz RYMKTOSLSWFSRG-SFHVURJKSA-N 1 1 496.081 2.730 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097046 1063059816 /nfs/dbraw/zinc/05/98/16/1063059816.db2.gz PBJYNJPTPURHIJ-VQTJNVASSA-N 1 1 488.681 2.514 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCCC3)C2)C1 ZINC001287738045 1063060996 /nfs/dbraw/zinc/06/09/96/1063060996.db2.gz MTNAXVAKRLWRQX-SFTDATJTSA-N 1 1 496.722 2.796 20 0 JFADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 ZINC001295241197 1063061345 /nfs/dbraw/zinc/06/13/45/1063061345.db2.gz PUMMBUGTKNAZOZ-JSGCOSHPSA-N 1 1 458.344 2.619 20 0 JFADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](NCC(F)(F)F)c2cc(Br)cs2)CC1 ZINC001295241196 1063061592 /nfs/dbraw/zinc/06/15/92/1063061592.db2.gz PUMMBUGTKNAZOZ-GXTWGEPZSA-N 1 1 458.344 2.619 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 ZINC001291099048 1063063965 /nfs/dbraw/zinc/06/39/65/1063063965.db2.gz ATEDOFLNJIQDTQ-CTNGQTDRSA-N 1 1 482.695 2.644 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)C1 ZINC001287739946 1063064368 /nfs/dbraw/zinc/06/43/68/1063064368.db2.gz TZQFJLBYUZUECY-ROUUACIJSA-N 1 1 472.725 2.588 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 ZINC001291099051 1063064826 /nfs/dbraw/zinc/06/48/26/1063064826.db2.gz ATEDOFLNJIQDTQ-TZIWHRDSSA-N 1 1 482.695 2.644 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCS(C)(=O)=O ZINC001291099373 1063065390 /nfs/dbraw/zinc/06/53/90/1063065390.db2.gz FZACQCOVVQCDMN-QGZVFWFLSA-N 1 1 469.602 2.892 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291099353 1063065550 /nfs/dbraw/zinc/06/55/50/1063065550.db2.gz FNJCEFMSDCRSFF-QGZVFWFLSA-N 1 1 473.622 2.621 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001291100754 1063069336 /nfs/dbraw/zinc/06/93/36/1063069336.db2.gz HJAHELPACPHHRW-MOPGFXCFSA-N 1 1 454.685 2.606 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101733 1063073767 /nfs/dbraw/zinc/07/37/67/1063073767.db2.gz ACAHGUCMSIQIHH-HXUWFJFHSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102102 1063075333 /nfs/dbraw/zinc/07/53/33/1063075333.db2.gz HOSIDMITZOUPPT-SFHLNBCPSA-N 1 1 496.722 2.652 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291102482 1063077558 /nfs/dbraw/zinc/07/75/58/1063077558.db2.gz OEIDMESYRHTFEU-GOSISDBHSA-N 1 1 477.679 2.549 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103002 1063079000 /nfs/dbraw/zinc/07/90/00/1063079000.db2.gz WTIDFDHMDDPUMW-PMACEKPBSA-N 1 1 480.723 2.611 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001291102896 1063079364 /nfs/dbraw/zinc/07/93/64/1063079364.db2.gz VFPAZWWTYSVODB-RBBKRZOGSA-N 1 1 468.646 2.781 20 0 JFADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291103841 1063081406 /nfs/dbraw/zinc/08/14/06/1063081406.db2.gz LMPXGOADTQWLKF-OALUTQOASA-N 1 1 482.633 2.528 20 0 JFADMO CCN(C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)CC1)S(C)(=O)=O ZINC001295265869 1063081593 /nfs/dbraw/zinc/08/15/93/1063081593.db2.gz ALLSBIQYSBZFOC-HXUWFJFHSA-N 1 1 466.696 2.843 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1=O ZINC001287758798 1063085180 /nfs/dbraw/zinc/08/51/80/1063085180.db2.gz DMSQGUCZAAFAAN-GGAORHGYSA-N 1 1 495.672 2.581 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291105066 1063085707 /nfs/dbraw/zinc/08/57/07/1063085707.db2.gz DKTAURSSVGMPTQ-ULQDDVLXSA-N 1 1 492.466 2.868 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291105462 1063087167 /nfs/dbraw/zinc/08/71/67/1063087167.db2.gz JQHGSPUCPMDWTR-RBUKOAKNSA-N 1 1 494.644 2.923 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291105463 1063087492 /nfs/dbraw/zinc/08/74/92/1063087492.db2.gz JQHGSPUCPMDWTR-RTBURBONSA-N 1 1 494.644 2.923 20 0 JFADMO CCN(C1CCN(c2nnc(C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1)S(C)(=O)=O ZINC001295267479 1063087386 /nfs/dbraw/zinc/08/73/86/1063087386.db2.gz VBBOHJXQYDLTFQ-WIYYLYMNSA-N 1 1 480.704 2.981 20 0 JFADMO CC(C)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291105883 1063089408 /nfs/dbraw/zinc/08/94/08/1063089408.db2.gz PAATWXGUDQNPOF-WTGUMLROSA-N 1 1 454.685 2.881 20 0 JFADMO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291105988 1063090161 /nfs/dbraw/zinc/09/01/61/1063090161.db2.gz QIKRQIOMRMRZFA-ROUUACIJSA-N 1 1 474.631 2.797 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295269542 1063092149 /nfs/dbraw/zinc/09/21/49/1063092149.db2.gz KCQKFHFEIJTXFY-HXUWFJFHSA-N 1 1 477.679 2.644 20 0 JFADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106542 1063093001 /nfs/dbraw/zinc/09/30/01/1063093001.db2.gz XHBZEQAJHDNEDZ-UAFMIMERSA-N 1 1 489.665 2.843 20 0 JFADMO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C)C1 ZINC001291106520 1063093043 /nfs/dbraw/zinc/09/30/43/1063093043.db2.gz XDBUHLAFJFBBBT-RBUKOAKNSA-N 1 1 485.658 2.839 20 0 JFADMO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295270080 1063095061 /nfs/dbraw/zinc/09/50/61/1063095061.db2.gz UKEDATGCXFWRTE-NRFANRHFSA-N 1 1 491.706 2.654 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291107146 1063095268 /nfs/dbraw/zinc/09/52/68/1063095268.db2.gz GMBDTUJTJJSWCL-LEWJYISDSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291107689 1063097462 /nfs/dbraw/zinc/09/74/62/1063097462.db2.gz LQEZGSOZQJEDEL-SFTDATJTSA-N 1 1 458.626 2.897 20 0 JFADMO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107888 1063098259 /nfs/dbraw/zinc/09/82/59/1063098259.db2.gz NRPUKAGCSZEPIC-HSALFYBXSA-N 1 1 466.696 2.774 20 0 JFADMO C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108475 1063101261 /nfs/dbraw/zinc/10/12/61/1063101261.db2.gz WONRNUCWPQEPTE-RZUBCFFCSA-N 1 1 474.675 2.788 20 0 JFADMO C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291108566 1063101360 /nfs/dbraw/zinc/10/13/60/1063101360.db2.gz XTZWNZUZMHPSCO-PMACEKPBSA-N 1 1 487.674 2.508 20 0 JFADMO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291112816 1063116222 /nfs/dbraw/zinc/11/62/22/1063116222.db2.gz RFRDMCWVVIABOU-UFPGJGBJSA-N 1 1 490.693 2.888 20 0 JFADMO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123675 1063139371 /nfs/dbraw/zinc/13/93/71/1063139371.db2.gz OUQHWJGWBKMKGD-NHCUHLMSSA-N 1 1 459.683 2.703 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123751 1063140592 /nfs/dbraw/zinc/14/05/92/1063140592.db2.gz QCHJXAXGTBSABO-VAMGGRTRSA-N 1 1 484.711 2.652 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291124275 1063142531 /nfs/dbraw/zinc/14/25/31/1063142531.db2.gz ALMBRQYZIJQBKI-HXUWFJFHSA-N 1 1 485.681 2.821 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)C1 ZINC001291124693 1063144396 /nfs/dbraw/zinc/14/43/96/1063144396.db2.gz IPBLYZIHLCOFSK-FPOVZHCZSA-N 1 1 467.680 2.555 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC001291125040 1063146599 /nfs/dbraw/zinc/14/65/99/1063146599.db2.gz NXIYYAXLNBGLGZ-FQEVSTJZSA-N 1 1 470.666 2.966 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001291125095 1063146752 /nfs/dbraw/zinc/14/67/52/1063146752.db2.gz OQQNJLCHGNAJDQ-WOJBJXKFSA-N 1 1 469.696 2.944 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001291125543 1063148768 /nfs/dbraw/zinc/14/87/68/1063148768.db2.gz WIGXDZYINKJCPH-LJQANCHMSA-N 1 1 468.712 2.897 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291125692 1063149900 /nfs/dbraw/zinc/14/99/00/1063149900.db2.gz ZGWQZXVMQSNKMO-ROUUACIJSA-N 1 1 460.573 2.971 20 0 JFADMO C[C@@H](CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291126660 1063156987 /nfs/dbraw/zinc/15/69/87/1063156987.db2.gz QDYSEAGXUNBAHR-HSALFYBXSA-N 1 1 462.664 2.860 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126957 1063158028 /nfs/dbraw/zinc/15/80/28/1063158028.db2.gz WHDRCDQTKLNQBF-UNMCSNQZSA-N 1 1 454.619 2.944 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2ccc([S@](C)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126930 1063158050 /nfs/dbraw/zinc/15/80/50/1063158050.db2.gz VSALZEXFEQYQTR-UPTQXZAWSA-N 1 1 460.648 2.522 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127114 1063160299 /nfs/dbraw/zinc/16/02/99/1063160299.db2.gz YXALBVUYHAZGNZ-IIBYNOLFSA-N 1 1 474.572 2.678 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291127214 1063160990 /nfs/dbraw/zinc/16/09/90/1063160990.db2.gz AJRHEAIKAMVXMS-GOSISDBHSA-N 1 1 456.616 2.706 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cccn3C)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)C1 ZINC001291128144 1063163030 /nfs/dbraw/zinc/16/30/30/1063163030.db2.gz RUUIFLHJVIHPQJ-KRWDZBQOSA-N 1 1 481.567 2.910 20 0 JFADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128879 1063167699 /nfs/dbraw/zinc/16/76/99/1063167699.db2.gz FGEUGLZWRCKWRF-SQNIBIBYSA-N 1 1 453.678 2.920 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001291129112 1063168477 /nfs/dbraw/zinc/16/84/77/1063168477.db2.gz JCKHZDLDMHYCNN-FQEVSTJZSA-N 1 1 497.692 2.535 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291129067 1063168630 /nfs/dbraw/zinc/16/86/30/1063168630.db2.gz IECDEOIJLATGAM-QGZVFWFLSA-N 1 1 481.613 2.892 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001291129326 1063170079 /nfs/dbraw/zinc/17/00/79/1063170079.db2.gz MIOMWJDUJISEFM-ROUUACIJSA-N 1 1 461.010 2.909 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291129351 1063170820 /nfs/dbraw/zinc/17/08/20/1063170820.db2.gz MRPVDLLXRKCNGK-GGAORHGYSA-N 1 1 467.662 2.984 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291129427 1063170875 /nfs/dbraw/zinc/17/08/75/1063170875.db2.gz NZFNWIZIXXNSTQ-UNMCSNQZSA-N 1 1 499.660 2.726 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCN2CCOCC2)C1 ZINC001291130660 1063176883 /nfs/dbraw/zinc/17/68/83/1063176883.db2.gz NATSVBYJOJYNJD-BHDDXSALSA-N 1 1 462.683 2.697 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001291131115 1063179079 /nfs/dbraw/zinc/17/90/79/1063179079.db2.gz VLTYQJFSMZLXQI-AQNXPRMDSA-N 1 1 489.665 2.749 20 0 JFADMO C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291134569 1063184580 /nfs/dbraw/zinc/18/45/80/1063184580.db2.gz KVSPENDRVIIPTK-UNMCSNQZSA-N 1 1 454.619 2.831 20 0 JFADMO C[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291135820 1063188962 /nfs/dbraw/zinc/18/89/62/1063188962.db2.gz KPECHQIBXVEDCD-GHTZIAJQSA-N 1 1 458.582 2.928 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001295315666 1063190364 /nfs/dbraw/zinc/19/03/64/1063190364.db2.gz YWDGOQSJGZREDJ-AREMUKBSSA-N 1 1 484.645 2.903 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291136737 1063193430 /nfs/dbraw/zinc/19/34/30/1063193430.db2.gz CRIFMIAJGRTHJD-MRXNPFEDSA-N 1 1 464.973 2.517 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137406 1063197006 /nfs/dbraw/zinc/19/70/06/1063197006.db2.gz QIHNAJBCXTXEOL-QUCCMNQESA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001291138001 1063198819 /nfs/dbraw/zinc/19/88/19/1063198819.db2.gz BFCYKAGXXPVKIH-OALUTQOASA-N 1 1 454.619 2.951 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291137775 1063198857 /nfs/dbraw/zinc/19/88/57/1063198857.db2.gz XUKAKEKSTVDHKW-UFYCRDLUSA-N 1 1 489.665 2.579 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291138656 1063201109 /nfs/dbraw/zinc/20/11/09/1063201109.db2.gz NQXICROTMFYNSW-INIZCTEOSA-N 1 1 467.586 2.645 20 0 JFADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139233 1063202937 /nfs/dbraw/zinc/20/29/37/1063202937.db2.gz YGENQECMAPHXOG-ZVDOUQERSA-N 1 1 475.659 2.828 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O ZINC001291140177 1063207308 /nfs/dbraw/zinc/20/73/08/1063207308.db2.gz SFTQQZYEVBFWDD-IPMKNSEASA-N 1 1 455.669 2.552 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001295326764 1063215280 /nfs/dbraw/zinc/21/52/80/1063215280.db2.gz ACBXDBIABZYOQN-JOCHJYFZSA-N 1 1 484.693 2.774 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)OC)CC1 ZINC001295327262 1063220968 /nfs/dbraw/zinc/22/09/68/1063220968.db2.gz PNOFJRZSZVMHBZ-UHFFFAOYSA-N 1 1 472.634 2.759 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)OC)CC1 ZINC001295327262 1063220986 /nfs/dbraw/zinc/22/09/86/1063220986.db2.gz PNOFJRZSZVMHBZ-UHFFFAOYSA-N 1 1 472.634 2.759 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295327127 1063221285 /nfs/dbraw/zinc/22/12/85/1063221285.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 1 1 496.704 2.841 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224027 /nfs/dbraw/zinc/22/40/27/1063224027.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 1 1 467.662 2.810 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295327625 1063225034 /nfs/dbraw/zinc/22/50/34/1063225034.db2.gz ZGPWEKNGBSBCML-GOSISDBHSA-N 1 1 476.576 2.551 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295327625 1063225056 /nfs/dbraw/zinc/22/50/56/1063225056.db2.gz ZGPWEKNGBSBCML-GOSISDBHSA-N 1 1 476.576 2.551 20 0 JFADMO CC(C)[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001291144712 1063226828 /nfs/dbraw/zinc/22/68/28/1063226828.db2.gz TVHCKHIOSPBOTO-FYYLOGMGSA-N 1 1 494.750 2.857 20 0 JFADMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001291144712 1063226846 /nfs/dbraw/zinc/22/68/46/1063226846.db2.gz TVHCKHIOSPBOTO-FYYLOGMGSA-N 1 1 494.750 2.857 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)OC)CC1 ZINC001295328644 1063226955 /nfs/dbraw/zinc/22/69/55/1063226955.db2.gz IQKMSXVJKYKLAB-OAQYLSRUSA-N 1 1 499.660 2.563 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)OC)CC1 ZINC001295328644 1063226979 /nfs/dbraw/zinc/22/69/79/1063226979.db2.gz IQKMSXVJKYKLAB-OAQYLSRUSA-N 1 1 499.660 2.563 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC2)CC1 ZINC001295329672 1063229461 /nfs/dbraw/zinc/22/94/61/1063229461.db2.gz UPSCYXOKVZKNMC-JOCHJYFZSA-N 1 1 498.672 2.940 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC2)CC1 ZINC001295329672 1063229480 /nfs/dbraw/zinc/22/94/80/1063229480.db2.gz UPSCYXOKVZKNMC-JOCHJYFZSA-N 1 1 498.672 2.940 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001295330486 1063230045 /nfs/dbraw/zinc/23/00/45/1063230045.db2.gz YFUMNVBGFGGOMH-HSZRJFAPSA-N 1 1 462.664 2.751 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001295330486 1063230065 /nfs/dbraw/zinc/23/00/65/1063230065.db2.gz YFUMNVBGFGGOMH-HSZRJFAPSA-N 1 1 462.664 2.751 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295330568 1063231129 /nfs/dbraw/zinc/23/11/29/1063231129.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 1 1 461.699 2.831 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001291147042 1063232203 /nfs/dbraw/zinc/23/22/03/1063232203.db2.gz PRTQGNPXQZAVQO-GHTZIAJQSA-N 1 1 475.037 2.945 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295333824 1063233276 /nfs/dbraw/zinc/23/32/76/1063233276.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 1 1 461.699 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC2(O)CCCCCC2)CC1 ZINC001295333926 1063234476 /nfs/dbraw/zinc/23/44/76/1063234476.db2.gz DPIUPWATTVOKLA-UHFFFAOYSA-N 1 1 497.688 2.730 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC2(O)CCCCCC2)CC1 ZINC001295333926 1063234497 /nfs/dbraw/zinc/23/44/97/1063234497.db2.gz DPIUPWATTVOKLA-UHFFFAOYSA-N 1 1 497.688 2.730 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001291148231 1063234519 /nfs/dbraw/zinc/23/45/19/1063234519.db2.gz NQXDQKOLJVKQCY-IIDMSEBBSA-N 1 1 455.028 2.691 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cn2)CC1 ZINC001295334071 1063235515 /nfs/dbraw/zinc/23/55/15/1063235515.db2.gz HATZKSMOSIKEOQ-UHFFFAOYSA-N 1 1 457.598 2.899 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(F)cn2)CC1 ZINC001295334071 1063235538 /nfs/dbraw/zinc/23/55/38/1063235538.db2.gz HATZKSMOSIKEOQ-UHFFFAOYSA-N 1 1 457.598 2.899 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3C)n2CC[C@@H]2CCOC2)CC1 ZINC001295334241 1063235979 /nfs/dbraw/zinc/23/59/79/1063235979.db2.gz IMYJFQYGPBQSCB-HSZRJFAPSA-N 1 1 482.673 2.984 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3C)n2CC[C@@H]2CCOC2)CC1 ZINC001295334241 1063236003 /nfs/dbraw/zinc/23/60/03/1063236003.db2.gz IMYJFQYGPBQSCB-HSZRJFAPSA-N 1 1 482.673 2.984 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2Cl)CC1 ZINC001295334459 1063239775 /nfs/dbraw/zinc/23/97/75/1063239775.db2.gz OXODYTAQFWZKLR-FQEVSTJZSA-N 1 1 475.037 2.864 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2Cl)CC1 ZINC001295334459 1063239790 /nfs/dbraw/zinc/23/97/90/1063239790.db2.gz OXODYTAQFWZKLR-FQEVSTJZSA-N 1 1 475.037 2.864 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2Cl)CC1 ZINC001295334460 1063239889 /nfs/dbraw/zinc/23/98/89/1063239889.db2.gz OXODYTAQFWZKLR-HXUWFJFHSA-N 1 1 475.037 2.864 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2Cl)CC1 ZINC001295334460 1063239905 /nfs/dbraw/zinc/23/99/05/1063239905.db2.gz OXODYTAQFWZKLR-HXUWFJFHSA-N 1 1 475.037 2.864 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CCCC2)CC1 ZINC001295334514 1063240588 /nfs/dbraw/zinc/24/05/88/1063240588.db2.gz ALNBFWFUKQHTDT-UHFFFAOYSA-N 1 1 487.693 2.751 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CCCC2)CC1 ZINC001295334514 1063240606 /nfs/dbraw/zinc/24/06/06/1063240606.db2.gz ALNBFWFUKQHTDT-UHFFFAOYSA-N 1 1 487.693 2.751 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)COC)CC1 ZINC001295334670 1063241567 /nfs/dbraw/zinc/24/15/67/1063241567.db2.gz RYPUIBCCASQDAL-UHFFFAOYSA-N 1 1 450.672 2.920 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)COC)CC1 ZINC001295334670 1063241587 /nfs/dbraw/zinc/24/15/87/1063241587.db2.gz RYPUIBCCASQDAL-UHFFFAOYSA-N 1 1 450.672 2.920 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ncccc2C)CC1 ZINC001295334896 1063244969 /nfs/dbraw/zinc/24/49/69/1063244969.db2.gz WJAKNARKZSRREI-JOCHJYFZSA-N 1 1 469.634 2.652 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ncccc2C)CC1 ZINC001295334896 1063244995 /nfs/dbraw/zinc/24/49/95/1063244995.db2.gz WJAKNARKZSRREI-JOCHJYFZSA-N 1 1 469.634 2.652 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291159389 1063245454 /nfs/dbraw/zinc/24/54/54/1063245454.db2.gz NQXJENSRRWVLJO-QGZVFWFLSA-N 1 1 488.518 2.514 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295335035 1063247102 /nfs/dbraw/zinc/24/71/02/1063247102.db2.gz WWZACBUNIFMOGQ-ICSRJNTNSA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295335035 1063247125 /nfs/dbraw/zinc/24/71/25/1063247125.db2.gz WWZACBUNIFMOGQ-ICSRJNTNSA-N 1 1 489.690 2.731 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2CCc2ccncc2)CC1 ZINC001295335062 1063247996 /nfs/dbraw/zinc/24/79/96/1063247996.db2.gz XRTHVHITQNATRM-UHFFFAOYSA-N 1 1 496.685 2.652 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3csc(C)n3)n2CCc2ccncc2)CC1 ZINC001295335062 1063248021 /nfs/dbraw/zinc/24/80/21/1063248021.db2.gz XRTHVHITQNATRM-UHFFFAOYSA-N 1 1 496.685 2.652 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001291167918 1063257738 /nfs/dbraw/zinc/25/77/38/1063257738.db2.gz WTUCRDWCRGWRIU-NJYVYQBISA-N 1 1 492.665 2.670 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001295336808 1063260284 /nfs/dbraw/zinc/26/02/84/1063260284.db2.gz WMRGYFIHXTZPDK-QHCPKHFHSA-N 1 1 498.720 2.642 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338041 1063264731 /nfs/dbraw/zinc/26/47/31/1063264731.db2.gz GUJDRBNVMGKBEN-NYHFZMIOSA-N 1 1 452.958 2.730 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338043 1063264853 /nfs/dbraw/zinc/26/48/53/1063264853.db2.gz GUJDRBNVMGKBEN-OYHNWAKOSA-N 1 1 452.958 2.730 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295338403 1063266246 /nfs/dbraw/zinc/26/62/46/1063266246.db2.gz ODSLUOKUVQEDLT-FGZHOGPDSA-N 1 1 475.726 2.978 20 0 JFADMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001295342636 1063270417 /nfs/dbraw/zinc/27/04/17/1063270417.db2.gz QESCPXZAACDSBS-JPYJTQIMSA-N 1 1 452.603 2.754 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001295343790 1063273591 /nfs/dbraw/zinc/27/35/91/1063273591.db2.gz OQKNSKOCKNPPGR-HXUWFJFHSA-N 1 1 463.671 2.660 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)CCOC)CC1 ZINC001295346318 1063286768 /nfs/dbraw/zinc/28/67/68/1063286768.db2.gz UUSMUSSAZJJVCB-UHFFFAOYSA-N 1 1 478.041 2.761 20 0 JFADMO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291187044 1063293960 /nfs/dbraw/zinc/29/39/60/1063293960.db2.gz OIYGZIADAUSIQK-HOTGVXAUSA-N 1 1 495.550 2.971 20 0 JFADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291187046 1063295036 /nfs/dbraw/zinc/29/50/36/1063295036.db2.gz OIYGZIADAUSIQK-IYBDPMFKSA-N 1 1 495.550 2.971 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291187046 1063295058 /nfs/dbraw/zinc/29/50/58/1063295058.db2.gz OIYGZIADAUSIQK-IYBDPMFKSA-N 1 1 495.550 2.971 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187627 1063296969 /nfs/dbraw/zinc/29/69/69/1063296969.db2.gz WWVXPCKYISIOHW-BHIFYINESA-N 1 1 490.693 2.755 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 ZINC001291188147 1063300907 /nfs/dbraw/zinc/30/09/07/1063300907.db2.gz GDPHRWQSBOFUDS-OYRHEFFESA-N 1 1 488.652 2.664 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001295353242 1063303260 /nfs/dbraw/zinc/30/32/60/1063303260.db2.gz QVHJKNBERAOXOU-RTWAWAEBSA-N 1 1 456.591 2.542 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188513 1063303967 /nfs/dbraw/zinc/30/39/67/1063303967.db2.gz LKDXGPJEBDAIJE-OTWHNJEPSA-N 1 1 488.608 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291189053 1063307670 /nfs/dbraw/zinc/30/76/70/1063307670.db2.gz VCJJDWAOKZZZPA-SVFBPWRDSA-N 1 1 486.636 2.988 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295354530 1063307992 /nfs/dbraw/zinc/30/79/92/1063307992.db2.gz PFUZTRQXQSELJH-HSZRJFAPSA-N 1 1 482.677 2.968 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001295355072 1063308563 /nfs/dbraw/zinc/30/85/63/1063308563.db2.gz MFBDMWQAMJSNCG-UHFFFAOYSA-N 1 1 497.688 2.872 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001295355072 1063308577 /nfs/dbraw/zinc/30/85/77/1063308577.db2.gz MFBDMWQAMJSNCG-UHFFFAOYSA-N 1 1 497.688 2.872 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001291189574 1063311367 /nfs/dbraw/zinc/31/13/67/1063311367.db2.gz DLOVFYJEUTUHTD-OAHLLOKOSA-N 1 1 478.439 2.587 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295366160 1063329570 /nfs/dbraw/zinc/32/95/70/1063329570.db2.gz NFSMQCUMCIHMTN-MOPGFXCFSA-N 1 1 462.664 2.609 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291197709 1063344132 /nfs/dbraw/zinc/34/41/32/1063344132.db2.gz IZEZICKEMBADTH-RTBURBONSA-N 1 1 455.607 2.909 20 0 JFADMO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001291201646 1063357468 /nfs/dbraw/zinc/35/74/68/1063357468.db2.gz YTTHGUHXDAQOFO-RXVVDRJESA-N 1 1 469.634 2.874 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201872 1063358011 /nfs/dbraw/zinc/35/80/11/1063358011.db2.gz CWVXGZIPNBKQRJ-BRWVUGGUSA-N 1 1 474.572 2.674 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206456 1063368855 /nfs/dbraw/zinc/36/88/55/1063368855.db2.gz WWUYSIXGHIGSCJ-QZTJIDSGSA-N 1 1 496.628 2.991 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCOc1ccccc1 ZINC001291208307 1063378658 /nfs/dbraw/zinc/37/86/58/1063378658.db2.gz VVOQBOQPVKUZKA-UXHICEINSA-N 1 1 490.674 2.668 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291210674 1063389367 /nfs/dbraw/zinc/38/93/67/1063389367.db2.gz HFOZBJHZAOWGOI-HOTGVXAUSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291210674 1063389387 /nfs/dbraw/zinc/38/93/87/1063389387.db2.gz HFOZBJHZAOWGOI-HOTGVXAUSA-N 1 1 481.439 2.771 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291210902 1063390849 /nfs/dbraw/zinc/39/08/49/1063390849.db2.gz KMKRKLRIUHXYTA-SMDDNHRTSA-N 1 1 463.302 2.755 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291210900 1063390964 /nfs/dbraw/zinc/39/09/64/1063390964.db2.gz KMKRKLRIUHXYTA-FZMZJTMJSA-N 1 1 463.302 2.755 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)CCS1 ZINC001291210880 1063391095 /nfs/dbraw/zinc/39/10/95/1063391095.db2.gz KBELEELJWDDSMR-ZBFHGGJFSA-N 1 1 469.453 2.824 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001295406769 1063396980 /nfs/dbraw/zinc/39/69/80/1063396980.db2.gz LRKRPKUNZZRACN-YSIASYRMSA-N 1 1 481.688 2.940 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOCC2(C)C)CCCO1 ZINC001291212729 1063399823 /nfs/dbraw/zinc/39/98/23/1063399823.db2.gz SYVBLTHJSZTCLT-OAHLLOKOSA-N 1 1 467.412 2.762 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOCC2(C)C)CCCO1 ZINC001291212729 1063399844 /nfs/dbraw/zinc/39/98/44/1063399844.db2.gz SYVBLTHJSZTCLT-OAHLLOKOSA-N 1 1 467.412 2.762 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)CC[N@H+](C2CCC2)C1 ZINC001291214930 1063420687 /nfs/dbraw/zinc/42/06/87/1063420687.db2.gz GTULEWOSMCJGRR-SFHVURJKSA-N 1 1 475.659 2.820 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001291215510 1063427202 /nfs/dbraw/zinc/42/72/02/1063427202.db2.gz QJHCHTXTXZPCMZ-UTKZUKDTSA-N 1 1 461.632 2.693 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001291228077 1063477445 /nfs/dbraw/zinc/47/74/45/1063477445.db2.gz LJOHYDGZXBNUEG-YJBOKZPZSA-N 1 1 457.472 2.963 20 0 JFADMO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001295474826 1063482967 /nfs/dbraw/zinc/48/29/67/1063482967.db2.gz HVOUQKSPDZXCGI-DHIUTWEWSA-N 1 1 486.709 2.950 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230730 1063484773 /nfs/dbraw/zinc/48/47/73/1063484773.db2.gz HXECBTYTYONQLA-WOJBJXKFSA-N 1 1 487.649 2.576 20 0 JFADMO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)CC1 ZINC001295480535 1063491673 /nfs/dbraw/zinc/49/16/73/1063491673.db2.gz NTRBTPTXNYIJBL-UHFFFAOYSA-N 1 1 487.718 2.686 20 0 JFADMO C[C@@H]1CN(c2nnc(C3CC3)n2CC2CCN(CC[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001291239926 1063509413 /nfs/dbraw/zinc/50/94/13/1063509413.db2.gz RYEUPDRZXYSVTG-LJQANCHMSA-N 1 1 475.682 2.875 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001291241026 1063510795 /nfs/dbraw/zinc/51/07/95/1063510795.db2.gz JBNWLIQKFJXFGT-LTIDMASMSA-N 1 1 458.529 2.506 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291249958 1063528458 /nfs/dbraw/zinc/52/84/58/1063528458.db2.gz LUKKMRFXAHKCTG-HKBOAZHASA-N 1 1 492.665 2.586 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250392 1063529019 /nfs/dbraw/zinc/52/90/19/1063529019.db2.gz SCIUXPIXQLCOPQ-WOJBJXKFSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CCN1C(=O)OC(C)(C)C ZINC001291250392 1063529037 /nfs/dbraw/zinc/52/90/37/1063529037.db2.gz SCIUXPIXQLCOPQ-WOJBJXKFSA-N 1 1 492.665 2.729 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251490 1063532233 /nfs/dbraw/zinc/53/22/33/1063532233.db2.gz IIDXSRQJOJDUJW-OALUTQOASA-N 1 1 482.695 2.960 20 0 JFADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255531 1063544266 /nfs/dbraw/zinc/54/42/66/1063544266.db2.gz JKQODOOABUYMBR-NJDAHSKKSA-N 1 1 492.665 2.932 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256530 1063549101 /nfs/dbraw/zinc/54/91/01/1063549101.db2.gz WGUDHCRPBNNONR-VQTJNVASSA-N 1 1 496.722 2.605 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)CC2(CCOCC2)O1 ZINC001291259451 1063552810 /nfs/dbraw/zinc/55/28/10/1063552810.db2.gz SJXPUQBNBSTUNM-NHCUHLMSSA-N 1 1 463.667 2.878 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291259853 1063553559 /nfs/dbraw/zinc/55/35/59/1063553559.db2.gz ZHSKSFVOKRPWQV-RTBURBONSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291261381 1063556610 /nfs/dbraw/zinc/55/66/10/1063556610.db2.gz AKGAYVWEQSWQLU-NZQKXSOJSA-N 1 1 458.626 2.895 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291262012 1063558124 /nfs/dbraw/zinc/55/81/24/1063558124.db2.gz LLXIEXHUVYGVLI-LPHOPBHVSA-N 1 1 453.509 2.794 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291262549 1063560476 /nfs/dbraw/zinc/56/04/76/1063560476.db2.gz VGRDBFLTCQPBDO-SFHVURJKSA-N 1 1 484.542 2.803 20 0 JFADMO C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291272914 1063577542 /nfs/dbraw/zinc/57/75/42/1063577542.db2.gz ZTZFSWWGXKAGJQ-GOSISDBHSA-N 1 1 458.573 2.806 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCSCC1 ZINC001295572585 1063610074 /nfs/dbraw/zinc/61/00/74/1063610074.db2.gz KPWNPGQRIJETSQ-UHFFFAOYSA-N 1 1 464.586 2.868 20 0 JFADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291285070 1063624300 /nfs/dbraw/zinc/62/43/00/1063624300.db2.gz KJPQYCFJMKUMER-GXRSIYKFSA-N 1 1 462.683 2.694 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291285514 1063627027 /nfs/dbraw/zinc/62/70/27/1063627027.db2.gz SHSQXXFVXQWQJD-TVFCKZIOSA-N 1 1 461.529 2.642 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001291286097 1063629262 /nfs/dbraw/zinc/62/92/62/1063629262.db2.gz CJJXHCKMMGWDIK-BURNTYAHSA-N 1 1 492.665 2.511 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001291286099 1063629994 /nfs/dbraw/zinc/62/99/94/1063629994.db2.gz CJJXHCKMMGWDIK-MXEMCNAFSA-N 1 1 492.665 2.511 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286310 1063630679 /nfs/dbraw/zinc/63/06/79/1063630679.db2.gz HDHKYTPQIQCMDP-XRXFAXGQSA-N 1 1 492.665 2.716 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291286407 1063632245 /nfs/dbraw/zinc/63/22/45/1063632245.db2.gz IRTXDMFLVTXUED-OALUTQOASA-N 1 1 482.654 2.900 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291286407 1063632252 /nfs/dbraw/zinc/63/22/52/1063632252.db2.gz IRTXDMFLVTXUED-OALUTQOASA-N 1 1 482.654 2.900 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291287215 1063637939 /nfs/dbraw/zinc/63/79/39/1063637939.db2.gz XHNFRXCEBQPJTO-NRFANRHFSA-N 1 1 493.656 2.761 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291287215 1063637945 /nfs/dbraw/zinc/63/79/45/1063637945.db2.gz XHNFRXCEBQPJTO-NRFANRHFSA-N 1 1 493.656 2.761 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287406 1063638689 /nfs/dbraw/zinc/63/86/89/1063638689.db2.gz BACJHNLVVYYZTQ-ZSYWTGECSA-N 1 1 496.703 2.791 20 0 JFADMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287458 1063639738 /nfs/dbraw/zinc/63/97/38/1063639738.db2.gz BVSUHHVXYKZYQR-AQNXPRMDSA-N 1 1 488.608 2.760 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001295598919 1063643146 /nfs/dbraw/zinc/64/31/46/1063643146.db2.gz FHHGRZXDHAGWAJ-SIKLNZKXSA-N 1 1 470.618 2.765 20 0 JFADMO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287998 1063644914 /nfs/dbraw/zinc/64/49/14/1063644914.db2.gz LIVYZSRGWYTGRO-RBUKOAKNSA-N 1 1 491.036 2.851 20 0 JFADMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287996 1063645000 /nfs/dbraw/zinc/64/50/00/1063645000.db2.gz LIVYZSRGWYTGRO-MOPGFXCFSA-N 1 1 491.036 2.851 20 0 JFADMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288062 1063645973 /nfs/dbraw/zinc/64/59/73/1063645973.db2.gz MRVALXSLHOPZQB-ZCNNSNEGSA-N 1 1 488.608 2.760 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291288413 1063648555 /nfs/dbraw/zinc/64/85/55/1063648555.db2.gz SCGKMEPMAHMJHQ-KURKYZTESA-N 1 1 461.010 2.765 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2)C[C@H](C)O1 ZINC001291288441 1063649521 /nfs/dbraw/zinc/64/95/21/1063649521.db2.gz SIZHFHXIRPMSRR-HDICACEKSA-N 1 1 453.547 2.654 20 0 JFADMO C[C@H]1C[N@H+](Cc2cccc(Cn3c(N(C)CCCS(C)(=O)=O)nnc3C(C)(C)C)c2)CCO1 ZINC001291288524 1063650418 /nfs/dbraw/zinc/65/04/18/1063650418.db2.gz UGTGEUJJDJUNLE-IBGZPJMESA-N 1 1 477.675 2.716 20 0 JFADMO C[C@H]1C[N@@H+](Cc2cccc(Cn3c(N(C)CCCS(C)(=O)=O)nnc3C(C)(C)C)c2)CCO1 ZINC001291288524 1063650445 /nfs/dbraw/zinc/65/04/45/1063650445.db2.gz UGTGEUJJDJUNLE-IBGZPJMESA-N 1 1 477.675 2.716 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O ZINC001291288750 1063652362 /nfs/dbraw/zinc/65/23/62/1063652362.db2.gz XXQYMBOPGDOFHD-LJQANCHMSA-N 1 1 488.683 2.580 20 0 JFADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288879 1063653132 /nfs/dbraw/zinc/65/31/32/1063653132.db2.gz ZSKZJNYNKZOERE-ROUUACIJSA-N 1 1 461.010 2.766 20 0 JFADMO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001295606522 1063653360 /nfs/dbraw/zinc/65/33/60/1063653360.db2.gz BBZIUQZPDVFYII-VQTJNVASSA-N 1 1 491.658 2.708 20 0 JFADMO C[C@@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291289015 1063653898 /nfs/dbraw/zinc/65/38/98/1063653898.db2.gz CFOAQIVOROKYEK-OKZBNKHCSA-N 1 1 458.636 2.874 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291289071 1063654144 /nfs/dbraw/zinc/65/41/44/1063654144.db2.gz DERPTRWKKMNRSX-CEXWTWQISA-N 1 1 473.622 2.876 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCO1 ZINC001291289925 1063660576 /nfs/dbraw/zinc/66/05/76/1063660576.db2.gz RYAKMHFNIKKJHR-HXUWFJFHSA-N 1 1 469.634 2.536 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291290039 1063661556 /nfs/dbraw/zinc/66/15/56/1063661556.db2.gz UHMBGWRCNLDLHD-KRWDZBQOSA-N 1 1 456.982 2.921 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291290091 1063662145 /nfs/dbraw/zinc/66/21/45/1063662145.db2.gz UWYVBXYQLXQFIF-IBGZPJMESA-N 1 1 473.622 2.831 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CC(C)(C)C)C[C@H](C)O1 ZINC001291290202 1063663106 /nfs/dbraw/zinc/66/31/06/1063663106.db2.gz WKTBTELMAHTCEW-KDURUIRLSA-N 1 1 467.622 2.902 20 0 JFADMO C[C@@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290165 1063663221 /nfs/dbraw/zinc/66/32/21/1063663221.db2.gz VRVCMHCPRSTGOB-RBUKOAKNSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666603 /nfs/dbraw/zinc/66/66/03/1063666603.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 1 1 478.682 2.566 20 0 JFADMO CCN(Cc1ccccc1C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295623877 1063668403 /nfs/dbraw/zinc/66/84/03/1063668403.db2.gz CTVXISVEGBMWFB-XMMPIXPASA-N 1 1 468.627 2.671 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001291291323 1063669272 /nfs/dbraw/zinc/66/92/72/1063669272.db2.gz NCEVPQXFHRIROC-QKLQHJQFSA-N 1 1 492.571 2.966 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292082 1063673633 /nfs/dbraw/zinc/67/36/33/1063673633.db2.gz YQFQZSZZRHJFFT-OALUTQOASA-N 1 1 474.572 2.705 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292084 1063674022 /nfs/dbraw/zinc/67/40/22/1063674022.db2.gz YQFQZSZZRHJFFT-RTBURBONSA-N 1 1 474.572 2.705 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(CC3CCCC3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291292246 1063675062 /nfs/dbraw/zinc/67/50/62/1063675062.db2.gz BDZOVPJHWXZJGY-IBGZPJMESA-N 1 1 454.610 2.899 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001295635031 1063677578 /nfs/dbraw/zinc/67/75/78/1063677578.db2.gz BYLXCUIAZNEUDI-FUHWJXTLSA-N 1 1 466.677 2.993 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3cccnc3)nnc2N2CCCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC001291293041 1063680779 /nfs/dbraw/zinc/68/07/79/1063680779.db2.gz NWAONSIMIYMBLW-BGYRXZFFSA-N 1 1 495.594 2.838 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294109 1063687906 /nfs/dbraw/zinc/68/79/06/1063687906.db2.gz FGLAKMOJZDJLAN-NQIIRXRSSA-N 1 1 474.675 2.855 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294514 1063689708 /nfs/dbraw/zinc/68/97/08/1063689708.db2.gz KUCQJHXZEQKJAV-VXGBXAGGSA-N 1 1 489.390 2.823 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294649 1063690509 /nfs/dbraw/zinc/69/05/09/1063690509.db2.gz NIYKWZREARBJFE-CJNGLKHVSA-N 1 1 483.361 2.762 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295052 1063693319 /nfs/dbraw/zinc/69/33/19/1063693319.db2.gz UARQJFSQLANGKE-OAQYLSRUSA-N 1 1 475.682 2.804 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291295292 1063694318 /nfs/dbraw/zinc/69/43/18/1063694318.db2.gz XDZLLBUOPNQLBL-MHXAIHSWSA-N 1 1 490.693 2.788 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295524 1063696349 /nfs/dbraw/zinc/69/63/49/1063696349.db2.gz ACPJNHIPJZMYRN-YLJYHZDGSA-N 1 1 463.623 2.894 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291301747 1063710152 /nfs/dbraw/zinc/71/01/52/1063710152.db2.gz JUXKLHIENZZAPC-QFBILLFUSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291301748 1063710177 /nfs/dbraw/zinc/71/01/77/1063710177.db2.gz JUXKLHIENZZAPC-VQIMIIECSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C1CCCC1 ZINC001291305270 1063715807 /nfs/dbraw/zinc/71/58/07/1063715807.db2.gz ZWTOMALXPSZLHL-ICSRJNTNSA-N 1 1 478.638 2.686 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1CC(F)(F)F ZINC001291306651 1063719041 /nfs/dbraw/zinc/71/90/41/1063719041.db2.gz DLNNLSLKDGAMTE-HZPDHXFCSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)CCN1CC(F)(F)F ZINC001291306651 1063719059 /nfs/dbraw/zinc/71/90/59/1063719059.db2.gz DLNNLSLKDGAMTE-HZPDHXFCSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291308055 1063727358 /nfs/dbraw/zinc/72/73/58/1063727358.db2.gz GMMBPGSDVFQTQK-GOSISDBHSA-N 1 1 481.601 2.672 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291308055 1063727376 /nfs/dbraw/zinc/72/73/76/1063727376.db2.gz GMMBPGSDVFQTQK-GOSISDBHSA-N 1 1 481.601 2.672 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295722316 1063737658 /nfs/dbraw/zinc/73/76/58/1063737658.db2.gz KGFXMEJDNNMCHV-NQIIRXRSSA-N 1 1 464.408 2.780 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+](C)C(C)C ZINC001295740139 1063748362 /nfs/dbraw/zinc/74/83/62/1063748362.db2.gz SPXSLSBUBSOLBZ-NRFANRHFSA-N 1 1 456.639 2.798 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@@H]1C ZINC001295742054 1063750120 /nfs/dbraw/zinc/75/01/20/1063750120.db2.gz LBSDKHPMDJMJQL-IFXJQAMLSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@@H]1C ZINC001295742054 1063750133 /nfs/dbraw/zinc/75/01/33/1063750133.db2.gz LBSDKHPMDJMJQL-IFXJQAMLSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC001295741913 1063750388 /nfs/dbraw/zinc/75/03/88/1063750388.db2.gz GQBJVYMUPJQSOX-FQEVSTJZSA-N 1 1 451.567 2.768 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC001295741913 1063750397 /nfs/dbraw/zinc/75/03/97/1063750397.db2.gz GQBJVYMUPJQSOX-FQEVSTJZSA-N 1 1 451.567 2.768 20 0 JFADMO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1(C)C ZINC001291319905 1063758281 /nfs/dbraw/zinc/75/82/81/1063758281.db2.gz IOOCSPQBJVTCCT-NRFANRHFSA-N 1 1 470.662 2.929 20 0 JFADMO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319905 1063758295 /nfs/dbraw/zinc/75/82/95/1063758295.db2.gz IOOCSPQBJVTCCT-NRFANRHFSA-N 1 1 470.662 2.929 20 0 JFADMO C[C@@H]1N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCOC1(C)C ZINC001291319905 1063758309 /nfs/dbraw/zinc/75/83/09/1063758309.db2.gz IOOCSPQBJVTCCT-NRFANRHFSA-N 1 1 470.662 2.929 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295758744 1063762837 /nfs/dbraw/zinc/76/28/37/1063762837.db2.gz AFDVZJAADNGNKY-YKSBVNFPSA-N 1 1 494.606 2.954 20 0 JFADMO CCN(CC1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001295761455 1063765137 /nfs/dbraw/zinc/76/51/37/1063765137.db2.gz BUGQFNGYAHXQRP-SANMLTNESA-N 1 1 499.660 2.880 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291323126 1063768952 /nfs/dbraw/zinc/76/89/52/1063768952.db2.gz GPGISABSJJKBRK-NLFFAJNJSA-N 1 1 457.619 2.750 20 0 JFADMO CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295792061 1063790241 /nfs/dbraw/zinc/79/02/41/1063790241.db2.gz PXDXFTKVLJNIQS-UHFFFAOYSA-N 1 1 478.439 2.826 20 0 JFADMO CCN(CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)S(C)(=O)=O ZINC001295810019 1063804514 /nfs/dbraw/zinc/80/45/14/1063804514.db2.gz IYDUHZGMULZHGY-QZTJIDSGSA-N 1 1 481.066 2.943 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001291340667 1063818019 /nfs/dbraw/zinc/81/80/19/1063818019.db2.gz OIBLTXFCESVBFM-FQEVSTJZSA-N 1 1 466.565 2.501 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295815903 1063820767 /nfs/dbraw/zinc/82/07/67/1063820767.db2.gz OPAPDZPETNJDFD-LJQANCHMSA-N 1 1 477.654 2.738 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C ZINC001295820020 1063824831 /nfs/dbraw/zinc/82/48/31/1063824831.db2.gz ZINADIORZQQXIQ-OALUTQOASA-N 1 1 496.653 2.758 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)C1CC1 ZINC001295820562 1063825617 /nfs/dbraw/zinc/82/56/17/1063825617.db2.gz DCYURPJHQFOMGU-DENIHFKCSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1)C(C)C ZINC001295820948 1063826704 /nfs/dbraw/zinc/82/67/04/1063826704.db2.gz KMISDJGBRITESC-UHFFFAOYSA-N 1 1 483.661 2.808 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001295822392 1063828475 /nfs/dbraw/zinc/82/84/75/1063828475.db2.gz ZUBGVGDRSVIPNA-UHFFFAOYSA-N 1 1 486.621 2.713 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001295823645 1063830529 /nfs/dbraw/zinc/83/05/29/1063830529.db2.gz QMFRXVSSGNTCQR-IBGZPJMESA-N 1 1 490.450 2.994 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)C(C)C ZINC001295824513 1063832213 /nfs/dbraw/zinc/83/22/13/1063832213.db2.gz FGNJJBUEUYCYFX-SFHVURJKSA-N 1 1 488.633 2.758 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C ZINC001295824585 1063832842 /nfs/dbraw/zinc/83/28/42/1063832842.db2.gz HFZOHGPGPJWEEZ-UHFFFAOYSA-N 1 1 471.009 2.916 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295824893 1063832923 /nfs/dbraw/zinc/83/29/23/1063832923.db2.gz KHIFVWAEGIZKFR-OAQYLSRUSA-N 1 1 479.647 2.706 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001295827131 1063836905 /nfs/dbraw/zinc/83/69/05/1063836905.db2.gz LWBYGEFXNHFDBE-UHFFFAOYSA-N 1 1 470.437 2.673 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1)C(C)C ZINC001295829397 1063841514 /nfs/dbraw/zinc/84/15/14/1063841514.db2.gz HWFBOPLJGRKXMR-IBGZPJMESA-N 1 1 479.025 2.679 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001291345900 1063842421 /nfs/dbraw/zinc/84/24/21/1063842421.db2.gz GMZTXSSKVCQZKN-OAQYLSRUSA-N 1 1 484.645 2.505 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001291345900 1063842437 /nfs/dbraw/zinc/84/24/37/1063842437.db2.gz GMZTXSSKVCQZKN-OAQYLSRUSA-N 1 1 484.645 2.505 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001295830304 1063844186 /nfs/dbraw/zinc/84/41/86/1063844186.db2.gz RUUFSIKNENJHJV-UHFFFAOYSA-N 1 1 492.068 2.548 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295830749 1063845279 /nfs/dbraw/zinc/84/52/79/1063845279.db2.gz ZLWHOTRVFRIUNA-OAHLLOKOSA-N 1 1 454.497 2.836 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295835315 1063851933 /nfs/dbraw/zinc/85/19/33/1063851933.db2.gz BLXAABSQUCIVQC-UHFFFAOYSA-N 1 1 468.524 2.930 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1)C(C)C ZINC001295835652 1063851979 /nfs/dbraw/zinc/85/19/79/1063851979.db2.gz HIRWZHMZWKDSHC-UHFFFAOYSA-N 1 1 471.625 2.559 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295838629 1063857370 /nfs/dbraw/zinc/85/73/70/1063857370.db2.gz KNOSTRHYNGZEBT-QFBILLFUSA-N 1 1 458.611 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295839069 1063857884 /nfs/dbraw/zinc/85/78/84/1063857884.db2.gz PEMLKKCFQPAOIX-MRXNPFEDSA-N 1 1 465.528 2.680 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001295839697 1063858601 /nfs/dbraw/zinc/85/86/01/1063858601.db2.gz XGLVOCSFEDXTQO-FQEVSTJZSA-N 1 1 473.622 2.800 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1)CCC(F)(F)F ZINC001295841474 1063860338 /nfs/dbraw/zinc/86/03/38/1063860338.db2.gz HAJZLJWBTVMXPH-MRXNPFEDSA-N 1 1 463.512 2.737 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CC(N)=O)CC1)C(C)C ZINC001295841475 1063860397 /nfs/dbraw/zinc/86/03/97/1063860397.db2.gz HBHTZSHGUBNMJI-UHFFFAOYSA-N 1 1 464.618 2.953 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)C(C)C ZINC001295841469 1063860571 /nfs/dbraw/zinc/86/05/71/1063860571.db2.gz GXGPMJPBGYQINQ-SFHVURJKSA-N 1 1 457.652 2.749 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844215 1063863428 /nfs/dbraw/zinc/86/34/28/1063863428.db2.gz AJUUMSGJUJPJEN-GOSISDBHSA-N 1 1 499.607 2.887 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1)C(C)C ZINC001295845419 1063867185 /nfs/dbraw/zinc/86/71/85/1063867185.db2.gz NAERUIVVTPQCLH-OAQYLSRUSA-N 1 1 472.609 2.673 20 0 JFADMO CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001291359554 1063868766 /nfs/dbraw/zinc/86/87/66/1063868766.db2.gz JECBYJFUAKUCNY-NLFFAJNJSA-N 1 1 463.586 2.797 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1)C(C)C ZINC001295846855 1063869342 /nfs/dbraw/zinc/86/93/42/1063869342.db2.gz ZGRJWAZMJMWQHC-QHCPKHFHSA-N 1 1 495.672 2.801 20 0 JFADMO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001291361123 1063873701 /nfs/dbraw/zinc/87/37/01/1063873701.db2.gz HFYQDTZIKKMLIS-NBQZKYEYSA-N 1 1 451.413 2.880 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C)C(C)C ZINC001295851638 1063876286 /nfs/dbraw/zinc/87/62/86/1063876286.db2.gz GCCOYDNAQAYKDB-HXUWFJFHSA-N 1 1 490.674 2.602 20 0 JFADMO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001295852851 1063877900 /nfs/dbraw/zinc/87/79/00/1063877900.db2.gz PZBIQJFXIKFGFK-ORAYPTAESA-N 1 1 457.930 2.997 20 0 JFADMO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001295852852 1063878022 /nfs/dbraw/zinc/87/80/22/1063878022.db2.gz PZBIQJFXIKFGFK-YJYMSZOUSA-N 1 1 457.930 2.997 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1)CCC(F)(F)F ZINC001295853749 1063880885 /nfs/dbraw/zinc/88/08/85/1063880885.db2.gz RDLIRYATSVVDBG-SFHVURJKSA-N 1 1 470.544 2.564 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)C(C)C ZINC001295854477 1063882867 /nfs/dbraw/zinc/88/28/67/1063882867.db2.gz IPAQOHDWTIVDDW-DHIUTWEWSA-N 1 1 475.726 2.833 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295855561 1063885290 /nfs/dbraw/zinc/88/52/90/1063885290.db2.gz RFOCUERIFTUAQS-HSZRJFAPSA-N 1 1 481.613 2.892 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)C[C@@H]1C)CCC(F)(F)F ZINC001295859360 1063890232 /nfs/dbraw/zinc/89/02/32/1063890232.db2.gz OFJCYHMRHSKLAL-KRWDZBQOSA-N 1 1 467.540 2.595 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)C[C@@H]1C)CCC(F)(F)F ZINC001295860631 1063891883 /nfs/dbraw/zinc/89/18/83/1063891883.db2.gz HWOJUPOZYVZIAQ-KRWDZBQOSA-N 1 1 467.540 2.595 20 0 JFADMO CC[N@@H+](CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001295860592 1063892014 /nfs/dbraw/zinc/89/20/14/1063892014.db2.gz FZTAOTKQQVPPNY-HXUWFJFHSA-N 1 1 485.580 2.625 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291370165 1063895447 /nfs/dbraw/zinc/89/54/47/1063895447.db2.gz UJDXHDRTJZRGHK-RUZDIDTESA-N 1 1 455.651 2.804 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C ZINC001295865675 1063898445 /nfs/dbraw/zinc/89/84/45/1063898445.db2.gz NNSYVYQNQMCESO-JOCHJYFZSA-N 1 1 486.661 2.836 20 0 JFADMO CC[N@@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C)C1CC1 ZINC001295867815 1063903300 /nfs/dbraw/zinc/90/33/00/1063903300.db2.gz AAZHNIQRRMYBOY-KRWDZBQOSA-N 1 1 458.632 2.730 20 0 JFADMO CC[N@@H+](CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868776 1063905823 /nfs/dbraw/zinc/90/58/23/1063905823.db2.gz XCEUXRKEEZCBEZ-VWLOTQADSA-N 1 1 488.633 2.604 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001295873637 1063911045 /nfs/dbraw/zinc/91/10/45/1063911045.db2.gz MNTCKIRWDBTZLW-UGKGYDQZSA-N 1 1 475.613 2.593 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291378889 1063912978 /nfs/dbraw/zinc/91/29/78/1063912978.db2.gz OPRNELLTFTURPD-BWKNWUBXSA-N 1 1 457.619 2.793 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291379617 1063914939 /nfs/dbraw/zinc/91/49/39/1063914939.db2.gz BTDODNJZBXLLAS-LFALDJFMSA-N 1 1 462.639 2.884 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291386890 1063933690 /nfs/dbraw/zinc/93/36/90/1063933690.db2.gz DJHIBLSOCGFEGD-DFBJGRDBSA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291386890 1063933707 /nfs/dbraw/zinc/93/37/07/1063933707.db2.gz DJHIBLSOCGFEGD-DFBJGRDBSA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291386892 1063933785 /nfs/dbraw/zinc/93/37/85/1063933785.db2.gz DJHIBLSOCGFEGD-UQBPGWFLSA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291386892 1063933798 /nfs/dbraw/zinc/93/37/98/1063933798.db2.gz DJHIBLSOCGFEGD-UQBPGWFLSA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291396820 1063952653 /nfs/dbraw/zinc/95/26/53/1063952653.db2.gz CPXPZUHLOHTYHF-BPYKYCOYSA-N 1 1 462.683 2.574 20 0 JFADMO CCn1cc([C@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)cn1 ZINC001295901107 1063954014 /nfs/dbraw/zinc/95/40/14/1063954014.db2.gz DYKXUIPHVXPRSV-JOCHJYFZSA-N 1 1 452.607 2.789 20 0 JFADMO CCn1cc([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)cn1 ZINC001295901108 1063954039 /nfs/dbraw/zinc/95/40/39/1063954039.db2.gz DYKXUIPHVXPRSV-QFIPXVFZSA-N 1 1 452.607 2.789 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001291398313 1063956467 /nfs/dbraw/zinc/95/64/67/1063956467.db2.gz WNFOKSUYLWMNPK-TXNPELCJSA-N 1 1 494.681 2.914 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291399125 1063957945 /nfs/dbraw/zinc/95/79/45/1063957945.db2.gz HGYFNEKELWVMPX-XZZVZQAVSA-N 1 1 471.646 2.976 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291402291 1063965433 /nfs/dbraw/zinc/96/54/33/1063965433.db2.gz VXAROFRHPLKBDY-JKSBSHDWSA-N 1 1 450.653 2.588 20 0 JFADMO CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001291403112 1063967345 /nfs/dbraw/zinc/96/73/45/1063967345.db2.gz GTBGQAJBUHNNAN-QLWBXOBMSA-N 1 1 473.666 2.626 20 0 JFADMO CCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001295934182 1063985878 /nfs/dbraw/zinc/98/58/78/1063985878.db2.gz MPJWJSZVBNEWND-OYRHEFFESA-N 1 1 467.618 2.976 20 0 JFADMO CCn1cc(Cn2c(COc3ccc(C)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC001295934182 1063985887 /nfs/dbraw/zinc/98/58/87/1063985887.db2.gz MPJWJSZVBNEWND-OYRHEFFESA-N 1 1 467.618 2.976 20 0 JFADMO CCn1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1=O ZINC001295950173 1064001137 /nfs/dbraw/zinc/00/11/37/1064001137.db2.gz CJIJKWZUBHWJRX-UHFFFAOYSA-N 1 1 466.634 2.680 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001291425961 1064008772 /nfs/dbraw/zinc/00/87/72/1064008772.db2.gz SBQVPZNIHWKWCS-WHZJULEDSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H](C)[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001291425961 1064008779 /nfs/dbraw/zinc/00/87/79/1064008779.db2.gz SBQVPZNIHWKWCS-WHZJULEDSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291434714 1064015516 /nfs/dbraw/zinc/01/55/16/1064015516.db2.gz RZPHXKNGNXTAIL-SFTDATJTSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291434714 1064015521 /nfs/dbraw/zinc/01/55/21/1064015521.db2.gz RZPHXKNGNXTAIL-SFTDATJTSA-N 1 1 469.682 2.713 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291434714 1064015529 /nfs/dbraw/zinc/01/55/29/1064015529.db2.gz RZPHXKNGNXTAIL-SFTDATJTSA-N 1 1 469.682 2.713 20 0 JFADMO CCn1cnnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001295968600 1064015589 /nfs/dbraw/zinc/01/55/89/1064015589.db2.gz IBUIUGDCNLVCFK-UHFFFAOYSA-N 1 1 482.633 2.583 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975142 1064018372 /nfs/dbraw/zinc/01/83/72/1064018372.db2.gz AMSYQGAKMGTKAR-MSOLQXFVSA-N 1 1 490.052 2.695 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@@H]1C ZINC001295975400 1064018688 /nfs/dbraw/zinc/01/86/88/1064018688.db2.gz CULRYWZELKMLSI-RBUKOAKNSA-N 1 1 453.591 2.917 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001295975477 1064019668 /nfs/dbraw/zinc/01/96/68/1064019668.db2.gz DJYREEHEWZOTMJ-WOJBJXKFSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295975505 1064019773 /nfs/dbraw/zinc/01/97/73/1064019773.db2.gz DMXUNIVWVRJUBC-SPEDKVCISA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295975505 1064019777 /nfs/dbraw/zinc/01/97/77/1064019777.db2.gz DMXUNIVWVRJUBC-SPEDKVCISA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976072 1064021603 /nfs/dbraw/zinc/02/16/03/1064021603.db2.gz CFQPPBFATWELGK-HUUCEWRRSA-N 1 1 459.396 2.803 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291455905 1064021685 /nfs/dbraw/zinc/02/16/85/1064021685.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 1 1 484.689 2.954 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291455904 1064021821 /nfs/dbraw/zinc/02/18/21/1064021821.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 1 1 484.689 2.954 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001291456824 1064022571 /nfs/dbraw/zinc/02/25/71/1064022571.db2.gz YUWXCRFUOAPPPG-SFHVURJKSA-N 1 1 454.619 2.673 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001291456824 1064022574 /nfs/dbraw/zinc/02/25/74/1064022574.db2.gz YUWXCRFUOAPPPG-SFHVURJKSA-N 1 1 454.619 2.673 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001295977253 1064022938 /nfs/dbraw/zinc/02/29/38/1064022938.db2.gz NXVULBPQXDITLG-IRXDYDNUSA-N 1 1 485.658 2.666 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976840 1064022964 /nfs/dbraw/zinc/02/29/64/1064022964.db2.gz LOXPUHPNZJBXME-UONOGXRCSA-N 1 1 472.487 2.847 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291457308 1064023325 /nfs/dbraw/zinc/02/33/25/1064023325.db2.gz IWPROCPGDVXSSU-LADGPHEKSA-N 1 1 470.662 2.851 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001291457096 1064023383 /nfs/dbraw/zinc/02/33/83/1064023383.db2.gz DUUBLVSHEWVWIJ-SLFFLAALSA-N 1 1 489.665 2.592 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001291457096 1064023391 /nfs/dbraw/zinc/02/33/91/1064023391.db2.gz DUUBLVSHEWVWIJ-SLFFLAALSA-N 1 1 489.665 2.592 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001291457095 1064023454 /nfs/dbraw/zinc/02/34/54/1064023454.db2.gz DUUBLVSHEWVWIJ-AQNXPRMDSA-N 1 1 489.665 2.592 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O ZINC001291457095 1064023461 /nfs/dbraw/zinc/02/34/61/1064023461.db2.gz DUUBLVSHEWVWIJ-AQNXPRMDSA-N 1 1 489.665 2.592 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001291457752 1064023902 /nfs/dbraw/zinc/02/39/02/1064023902.db2.gz SCIOCTWZSABYRU-SLFFLAALSA-N 1 1 452.607 2.966 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccnc(-n2cccn2)c1 ZINC001291457752 1064023908 /nfs/dbraw/zinc/02/39/08/1064023908.db2.gz SCIOCTWZSABYRU-SLFFLAALSA-N 1 1 452.607 2.966 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001295977884 1064024410 /nfs/dbraw/zinc/02/44/10/1064024410.db2.gz LYIMZWPFTCGQLR-ULQDDVLXSA-N 1 1 461.661 2.693 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001295977876 1064025152 /nfs/dbraw/zinc/02/51/52/1064025152.db2.gz QHKGHFWRVGQICH-LSDHHAIUSA-N 1 1 466.428 2.823 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)NC(C)C ZINC001291458768 1064025329 /nfs/dbraw/zinc/02/53/29/1064025329.db2.gz NLBFATHYFONZRH-XQBPLPMBSA-N 1 1 458.655 2.959 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978751 1064026046 /nfs/dbraw/zinc/02/60/46/1064026046.db2.gz LAFSFCZCLRCMLX-IAGOWNOFSA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001295978695 1064026114 /nfs/dbraw/zinc/02/61/14/1064026114.db2.gz SOTOZSSCSKPMMB-DLBZAZTESA-N 1 1 469.590 2.672 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978755 1064026567 /nfs/dbraw/zinc/02/65/67/1064026567.db2.gz LAFSFCZCLRCMLX-SJORKVTESA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001295979669 1064028160 /nfs/dbraw/zinc/02/81/60/1064028160.db2.gz WZVZOMRUBXKSSI-ZIAGYGMSSA-N 1 1 485.452 2.532 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001295979669 1064028172 /nfs/dbraw/zinc/02/81/72/1064028172.db2.gz WZVZOMRUBXKSSI-ZIAGYGMSSA-N 1 1 485.452 2.532 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470123 1064030047 /nfs/dbraw/zinc/03/00/47/1064030047.db2.gz LTLORUPFHLBZCT-CNNODRBYSA-N 1 1 469.634 2.622 20 0 JFADMO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980394 1064030206 /nfs/dbraw/zinc/03/02/06/1064030206.db2.gz YTDWOUFQPHQFOR-MOPGFXCFSA-N 1 1 478.663 2.544 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@@H]1C ZINC001295980433 1064030661 /nfs/dbraw/zinc/03/06/61/1064030661.db2.gz ZAWZZFUQHBEIFT-OALUTQOASA-N 1 1 468.627 2.905 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ncccc1C ZINC001291470311 1064031091 /nfs/dbraw/zinc/03/10/91/1064031091.db2.gz OETYNTBNONFPBI-LEDOBFOHSA-N 1 1 453.635 2.922 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(F)(F)Br ZINC001291470746 1064031417 /nfs/dbraw/zinc/03/14/17/1064031417.db2.gz USGOVTXETVCEDH-LZWOXQAQSA-N 1 1 477.398 2.768 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@H]1CCCO1 ZINC001291471090 1064033487 /nfs/dbraw/zinc/03/34/87/1064033487.db2.gz YVTYJBLXKIVZCC-ZQRMPTRQSA-N 1 1 490.693 2.756 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291473291 1064033866 /nfs/dbraw/zinc/03/38/66/1064033866.db2.gz CBHBLVXIQWEFEW-QZNHQXDQSA-N 1 1 471.650 2.639 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291473562 1064034322 /nfs/dbraw/zinc/03/43/22/1064034322.db2.gz GFTMZCSMNBOJGA-HWBMXIPRSA-N 1 1 462.683 2.984 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982542 1064035593 /nfs/dbraw/zinc/03/55/93/1064035593.db2.gz URHFAKFQXFHAJW-SQNIBIBYSA-N 1 1 487.630 2.511 20 0 JFADMO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291478639 1064035606 /nfs/dbraw/zinc/03/56/06/1064035606.db2.gz WPLNPPPIOFKUQY-NLWGTHIKSA-N 1 1 473.618 2.709 20 0 JFADMO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291478638 1064035683 /nfs/dbraw/zinc/03/56/83/1064035683.db2.gz WPLNPPPIOFKUQY-CMKODMSKSA-N 1 1 473.618 2.709 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982887 1064037092 /nfs/dbraw/zinc/03/70/92/1064037092.db2.gz GLVYZXLPMHECTJ-MSOLQXFVSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982887 1064037098 /nfs/dbraw/zinc/03/70/98/1064037098.db2.gz GLVYZXLPMHECTJ-MSOLQXFVSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295983087 1064037580 /nfs/dbraw/zinc/03/75/80/1064037580.db2.gz HFXAIHJCNMPSDI-ROUUACIJSA-N 1 1 468.606 2.837 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983171 1064038010 /nfs/dbraw/zinc/03/80/10/1064038010.db2.gz YOMJFHCIJOADGG-VABKMULXSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983171 1064038019 /nfs/dbraw/zinc/03/80/19/1064038019.db2.gz YOMJFHCIJOADGG-VABKMULXSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983318 1064039003 /nfs/dbraw/zinc/03/90/03/1064039003.db2.gz IAIDNTRJHGASEQ-FIKGOQFSSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983906 1064040276 /nfs/dbraw/zinc/04/02/76/1064040276.db2.gz XQJKZKGGHNPXLG-CVEARBPZSA-N 1 1 476.427 2.647 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@@H]1C ZINC001295983907 1064040304 /nfs/dbraw/zinc/04/03/04/1064040304.db2.gz XQJKZKGGHNPXLG-HOTGVXAUSA-N 1 1 476.427 2.647 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984099 1064041328 /nfs/dbraw/zinc/04/13/28/1064041328.db2.gz LCOFTOFIMHDHFX-IRXDYDNUSA-N 1 1 458.998 2.692 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295984429 1064041739 /nfs/dbraw/zinc/04/17/39/1064041739.db2.gz MRONBGSVJFPIOP-CVEARBPZSA-N 1 1 457.529 2.794 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984556 1064042506 /nfs/dbraw/zinc/04/25/06/1064042506.db2.gz ZUNHNORDWFWMRD-YESZJQIVSA-N 1 1 485.054 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@@H]1C ZINC001295987173 1064043376 /nfs/dbraw/zinc/04/33/76/1064043376.db2.gz ZAMLHJRDOYPJRI-IRXDYDNUSA-N 1 1 451.999 2.925 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@H]1C ZINC001295987174 1064043575 /nfs/dbraw/zinc/04/35/75/1064043575.db2.gz ZAMLHJRDOYPJRI-SJORKVTESA-N 1 1 451.999 2.925 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291487048 1064044507 /nfs/dbraw/zinc/04/45/07/1064044507.db2.gz PTUAGKAENDKSQK-RTBURBONSA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291487048 1064044510 /nfs/dbraw/zinc/04/45/10/1064044510.db2.gz PTUAGKAENDKSQK-RTBURBONSA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492174 1064045396 /nfs/dbraw/zinc/04/53/96/1064045396.db2.gz SEMCMBLPFVIBQI-SFTDATJTSA-N 1 1 454.619 2.751 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295991198 1064045844 /nfs/dbraw/zinc/04/58/44/1064045844.db2.gz AKKGORHZPLXMSJ-IAGOWNOFSA-N 1 1 489.621 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291493878 1064046592 /nfs/dbraw/zinc/04/65/92/1064046592.db2.gz QPKXDUJAOZVUCV-KKFFFLSNSA-N 1 1 459.639 2.727 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996131 1064051892 /nfs/dbraw/zinc/05/18/92/1064051892.db2.gz MKTXNJGKWCMDDK-OALUTQOASA-N 1 1 499.685 2.709 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996133 1064052433 /nfs/dbraw/zinc/05/24/33/1064052433.db2.gz MKTXNJGKWCMDDK-RBUKOAKNSA-N 1 1 499.685 2.709 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001291502234 1064052759 /nfs/dbraw/zinc/05/27/59/1064052759.db2.gz DBQRLEIQWCWOHF-ICSRJNTNSA-N 1 1 472.609 2.828 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998207 1064055173 /nfs/dbraw/zinc/05/51/73/1064055173.db2.gz TYVOJAYHSXMIKY-VQTJNVASSA-N 1 1 465.602 2.865 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001295998189 1064055253 /nfs/dbraw/zinc/05/52/53/1064055253.db2.gz TWNRPPWKZDINJT-PMACEKPBSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@@H]1C ZINC001295998189 1064055262 /nfs/dbraw/zinc/05/52/62/1064055262.db2.gz TWNRPPWKZDINJT-PMACEKPBSA-N 1 1 485.658 2.603 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291504743 1064056253 /nfs/dbraw/zinc/05/62/53/1064056253.db2.gz WFQPIKUSLVQNQE-PZJWPPBQSA-N 1 1 468.712 2.925 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001295999713 1064056534 /nfs/dbraw/zinc/05/65/34/1064056534.db2.gz XEVVWAFJUDHSFP-MKBNYLNASA-N 1 1 454.472 2.753 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002073 1064057428 /nfs/dbraw/zinc/05/74/28/1064057428.db2.gz KKXLXDSGDFOQBM-DLBZAZTESA-N 1 1 468.005 2.983 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002075 1064057541 /nfs/dbraw/zinc/05/75/41/1064057541.db2.gz KKXLXDSGDFOQBM-IRXDYDNUSA-N 1 1 468.005 2.983 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001296001200 1064057600 /nfs/dbraw/zinc/05/76/00/1064057600.db2.gz GIDYNTAKJWDSMI-WOJBJXKFSA-N 1 1 453.635 2.831 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001296003207 1064058642 /nfs/dbraw/zinc/05/86/42/1064058642.db2.gz SBEYPDWICQOKDO-QZTJIDSGSA-N 1 1 454.550 2.836 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004348 1064059748 /nfs/dbraw/zinc/05/97/48/1064059748.db2.gz YVIKHAXLVWCHPG-SJORKVTESA-N 1 1 473.423 2.842 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)NCc1ccco1 ZINC001291510062 1064061265 /nfs/dbraw/zinc/06/12/65/1064061265.db2.gz OJBRQCMFXDZALH-HXUWFJFHSA-N 1 1 471.650 2.696 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008760 1064061858 /nfs/dbraw/zinc/06/18/58/1064061858.db2.gz BJQUSAMNUZENOB-ACRUOGEOSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008760 1064061865 /nfs/dbraw/zinc/06/18/65/1064061865.db2.gz BJQUSAMNUZENOB-ACRUOGEOSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008963 1064063521 /nfs/dbraw/zinc/06/35/21/1064063521.db2.gz COPDJVWIPMDYLX-ROUUACIJSA-N 1 1 464.561 2.774 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296009315 1064063792 /nfs/dbraw/zinc/06/37/92/1064063792.db2.gz JRJJUDHCHHTXOL-ZWOKBUDYSA-N 1 1 459.664 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001296009431 1064064755 /nfs/dbraw/zinc/06/47/55/1064064755.db2.gz GEUHWJUYQVNXDX-RTBURBONSA-N 1 1 470.618 2.579 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296009659 1064065878 /nfs/dbraw/zinc/06/58/78/1064065878.db2.gz IBWHAZZNPDLWJA-SFTDATJTSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009658 1064065926 /nfs/dbraw/zinc/06/59/26/1064065926.db2.gz IBWHAZZNPDLWJA-RTWAWAEBSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@@H]1C ZINC001296010277 1064068188 /nfs/dbraw/zinc/06/81/88/1064068188.db2.gz AZXKJZCIWAKMOT-ZGXWSNOMSA-N 1 1 487.653 2.650 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001296010381 1064068563 /nfs/dbraw/zinc/06/85/63/1064068563.db2.gz PUHVGICAJYMMSB-RTBURBONSA-N 1 1 454.619 2.517 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010706 1064069037 /nfs/dbraw/zinc/06/90/37/1064069037.db2.gz CTHCQUOVWYGQQT-ACRUOGEOSA-N 1 1 472.634 2.505 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011358 1064071048 /nfs/dbraw/zinc/07/10/48/1064071048.db2.gz VEGDNXZMDUDKFP-ZEQRLZLVSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011358 1064071055 /nfs/dbraw/zinc/07/10/55/1064071055.db2.gz VEGDNXZMDUDKFP-ZEQRLZLVSA-N 1 1 483.705 2.987 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012325 1064072763 /nfs/dbraw/zinc/07/27/63/1064072763.db2.gz JTXVYQPSYNTKPF-NNMXDRDESA-N 1 1 470.618 2.564 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074079 /nfs/dbraw/zinc/07/40/79/1064074079.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074089 /nfs/dbraw/zinc/07/40/89/1064074089.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 1 1 492.709 2.809 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296015319 1064077733 /nfs/dbraw/zinc/07/77/33/1064077733.db2.gz RVEKQQCDVVHUMX-STSQHVNTSA-N 1 1 461.632 2.653 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296017270 1064078674 /nfs/dbraw/zinc/07/86/74/1064078674.db2.gz XKYXMVAENAHETL-OALUTQOASA-N 1 1 482.658 2.951 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032840 1064090174 /nfs/dbraw/zinc/09/01/74/1064090174.db2.gz FLJKQFVXUFMHMN-LSDHHAIUSA-N 1 1 473.018 2.659 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296032961 1064090502 /nfs/dbraw/zinc/09/05/02/1064090502.db2.gz GVQUNUOHQNREEH-LVCYWYKZSA-N 1 1 479.622 2.912 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296032959 1064090595 /nfs/dbraw/zinc/09/05/95/1064090595.db2.gz GVQUNUOHQNREEH-BBTUJRGHSA-N 1 1 479.622 2.912 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554059 1064090874 /nfs/dbraw/zinc/09/08/74/1064090874.db2.gz IGVWUJIVSIJGNR-NBGIEHNGSA-N 1 1 454.619 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CCC(=O)NC ZINC001291554059 1064090884 /nfs/dbraw/zinc/09/08/84/1064090884.db2.gz IGVWUJIVSIJGNR-NBGIEHNGSA-N 1 1 454.619 2.799 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296033003 1064091037 /nfs/dbraw/zinc/09/10/37/1064091037.db2.gz HPGARKIGKSCBTD-FQEVSTJZSA-N 1 1 469.634 2.697 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033075 1064091410 /nfs/dbraw/zinc/09/14/10/1064091410.db2.gz JBSVFMMPUJHFDC-HSALFYBXSA-N 1 1 480.654 2.790 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034432 1064093169 /nfs/dbraw/zinc/09/31/69/1064093169.db2.gz VCPZPTKLYHIGRO-NHCUHLMSSA-N 1 1 469.634 2.838 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296034684 1064093408 /nfs/dbraw/zinc/09/34/08/1064093408.db2.gz WXKZFGFHKZXSAH-ZWOKBUDYSA-N 1 1 465.595 2.522 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001296034946 1064093603 /nfs/dbraw/zinc/09/36/03/1064093603.db2.gz ZWAKDDHSHZJZCI-LJQANCHMSA-N 1 1 483.020 2.672 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296036390 1064095856 /nfs/dbraw/zinc/09/58/56/1064095856.db2.gz JDODVVCTGBGAGT-LJQANCHMSA-N 1 1 486.617 2.971 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001296036471 1064096123 /nfs/dbraw/zinc/09/61/23/1064096123.db2.gz KKILAFNIVOTFJN-WOJBJXKFSA-N 1 1 484.645 2.997 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(CCOC)CC2)C1 ZINC001296036838 1064096494 /nfs/dbraw/zinc/09/64/94/1064096494.db2.gz MOJKCFMRGSNRCJ-KRWDZBQOSA-N 1 1 495.441 2.957 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001291571181 1064097664 /nfs/dbraw/zinc/09/76/64/1064097664.db2.gz QYVHIYNZBGVCQV-IBGZPJMESA-N 1 1 451.623 2.747 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001296039730 1064099318 /nfs/dbraw/zinc/09/93/18/1064099318.db2.gz STOGGNORJHJZEA-CMKODMSKSA-N 1 1 459.591 2.544 20 0 JFADMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001291576836 1064099889 /nfs/dbraw/zinc/09/98/89/1064099889.db2.gz MVUNLXPYHVLMSO-RTBURBONSA-N 1 1 468.639 2.939 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291576897 1064100295 /nfs/dbraw/zinc/10/02/95/1064100295.db2.gz CNRPKCXIAXFIJS-UGKGYDQZSA-N 1 1 472.609 2.740 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578186 1064102527 /nfs/dbraw/zinc/10/25/27/1064102527.db2.gz CHSWLAKSHHGKLQ-LAUBAEHRSA-N 1 1 458.582 2.730 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(CCNC(C)=O)Cc2ccsc2)C1 ZINC001296043718 1064102692 /nfs/dbraw/zinc/10/26/92/1064102692.db2.gz XLVKHXKQZQVTAL-LJQANCHMSA-N 1 1 455.632 2.830 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043883 1064103233 /nfs/dbraw/zinc/10/32/33/1064103233.db2.gz AXYZRVYUQMMBDV-ZCNNSNEGSA-N 1 1 462.639 2.960 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578229 1064103228 /nfs/dbraw/zinc/10/32/28/1064103228.db2.gz CNOFNSPRICAOEQ-GHTZIAJQSA-N 1 1 472.609 2.925 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001296044706 1064104157 /nfs/dbraw/zinc/10/41/57/1064104157.db2.gz FRLBMEDNHNRROJ-SLFFLAALSA-N 1 1 490.649 2.734 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291578948 1064105206 /nfs/dbraw/zinc/10/52/06/1064105206.db2.gz HZUVIPJEEZZAFF-IBGZPJMESA-N 1 1 470.618 2.570 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001291578948 1064105208 /nfs/dbraw/zinc/10/52/08/1064105208.db2.gz HZUVIPJEEZZAFF-IBGZPJMESA-N 1 1 470.618 2.570 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001296045673 1064106196 /nfs/dbraw/zinc/10/61/96/1064106196.db2.gz LIEFXWJDVAMFAL-BJLQDIEVSA-N 1 1 461.632 2.725 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001296048270 1064107479 /nfs/dbraw/zinc/10/74/79/1064107479.db2.gz BOAIKWHDGQJJKU-NRFANRHFSA-N 1 1 455.607 2.520 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296050783 1064110895 /nfs/dbraw/zinc/11/08/95/1064110895.db2.gz VDVVWOOBUYXWAR-AEFFLSMTSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296051395 1064111370 /nfs/dbraw/zinc/11/13/70/1064111370.db2.gz FAKLIKYSJZSMGH-FQEVSTJZSA-N 1 1 470.618 2.512 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001296051525 1064111840 /nfs/dbraw/zinc/11/18/40/1064111840.db2.gz GMZLKVDKDAZUQK-XLIONFOSSA-N 1 1 494.434 2.813 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296051796 1064112398 /nfs/dbraw/zinc/11/23/98/1064112398.db2.gz KAWKBZFHMFUBJB-HXUWFJFHSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051833 1064112489 /nfs/dbraw/zinc/11/24/89/1064112489.db2.gz KKJSWRTXDFJYPM-GHTZIAJQSA-N 1 1 479.622 2.742 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051941 1064113034 /nfs/dbraw/zinc/11/30/34/1064113034.db2.gz LMBYFSZSWAZKTB-PZJWPPBQSA-N 1 1 461.632 2.521 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291582212 1064113627 /nfs/dbraw/zinc/11/36/27/1064113627.db2.gz ZMGNLDVDFJSFIW-NZQKXSOJSA-N 1 1 468.646 2.711 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296055220 1064116727 /nfs/dbraw/zinc/11/67/27/1064116727.db2.gz FJHLQFRYVZTOCB-QZTJIDSGSA-N 1 1 484.605 2.513 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001296056313 1064117274 /nfs/dbraw/zinc/11/72/74/1064117274.db2.gz KJNYNQLPHLAOPK-FGZHOGPDSA-N 1 1 472.609 2.990 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CNC(C)=O)CC2)C1 ZINC001296056793 1064118216 /nfs/dbraw/zinc/11/82/16/1064118216.db2.gz OZZFVDXBPPNUOM-BHDDXSALSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057146 1064118566 /nfs/dbraw/zinc/11/85/66/1064118566.db2.gz RWVRQRZKSVAPEZ-RBUKOAKNSA-N 1 1 477.654 2.642 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001296057439 1064119545 /nfs/dbraw/zinc/11/95/45/1064119545.db2.gz YFXQOCKEKIQNBI-MISYRCLQSA-N 1 1 467.680 2.552 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3C[C@H](C)O[C@H](C(F)(F)F)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296057473 1064119678 /nfs/dbraw/zinc/11/96/78/1064119678.db2.gz YXZFAVDQDXPPKC-NTLWEQJWSA-N 1 1 475.556 2.817 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001296058704 1064120699 /nfs/dbraw/zinc/12/06/99/1064120699.db2.gz CGYWKYXXLIWTQI-RCCFBDPRSA-N 1 1 481.692 2.522 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CCn1cc[nH+]c1C ZINC001291589320 1064120811 /nfs/dbraw/zinc/12/08/11/1064120811.db2.gz GKFGQXXNYMVMOT-GOSISDBHSA-N 1 1 469.565 2.863 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291589330 1064121074 /nfs/dbraw/zinc/12/10/74/1064121074.db2.gz GMOUDAOCPJEIOI-WOJBJXKFSA-N 1 1 463.671 2.779 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296058948 1064121481 /nfs/dbraw/zinc/12/14/81/1064121481.db2.gz FTBLOZSFCZVKEG-YTQUADARSA-N 1 1 451.518 2.881 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001296059154 1064121837 /nfs/dbraw/zinc/12/18/37/1064121837.db2.gz BAKMMQUGBXWLPH-SJORKVTESA-N 1 1 461.408 2.812 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001296059309 1064122234 /nfs/dbraw/zinc/12/22/34/1064122234.db2.gz CCSNETCKMRPYAS-VQTJNVASSA-N 1 1 461.632 2.838 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001296059740 1064123081 /nfs/dbraw/zinc/12/30/81/1064123081.db2.gz JFPRNFKTGSLGOZ-QGZVFWFLSA-N 1 1 485.029 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291590617 1064124166 /nfs/dbraw/zinc/12/41/66/1064124166.db2.gz YCJBSVTVDZXHIF-LJQANCHMSA-N 1 1 456.591 2.561 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291590773 1064125117 /nfs/dbraw/zinc/12/51/17/1064125117.db2.gz UKBPRRWTMUSNAQ-NHCUHLMSSA-N 1 1 461.655 2.630 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291592311 1064127407 /nfs/dbraw/zinc/12/74/07/1064127407.db2.gz LMSWDYIPZHQJOT-NHCUHLMSSA-N 1 1 491.681 2.649 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291592310 1064127436 /nfs/dbraw/zinc/12/74/36/1064127436.db2.gz LMSWDYIPZHQJOT-LEWJYISDSA-N 1 1 491.681 2.649 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCOC)CC1 ZINC001296062601 1064128228 /nfs/dbraw/zinc/12/82/28/1064128228.db2.gz SEETYHGKKUVGNW-IBGZPJMESA-N 1 1 464.561 2.799 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001296063448 1064129594 /nfs/dbraw/zinc/12/95/94/1064129594.db2.gz WGBRLSMEOYVBHO-NLWGTHIKSA-N 1 1 494.637 2.512 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291593444 1064129585 /nfs/dbraw/zinc/12/95/85/1064129585.db2.gz QLNMCRKLRYDOEM-ZDXQCDESSA-N 1 1 497.688 2.641 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 ZINC001296066402 1064132051 /nfs/dbraw/zinc/13/20/51/1064132051.db2.gz CSTYEGJOFYADCH-ZCNNSNEGSA-N 1 1 478.638 2.544 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291598298 1064133430 /nfs/dbraw/zinc/13/34/30/1064133430.db2.gz AIUWIEHRGXPRHK-QKNQBKEWSA-N 1 1 474.654 2.723 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCS(=O)(=O)CC ZINC001296067957 1064133423 /nfs/dbraw/zinc/13/34/23/1064133423.db2.gz LYTCCPKZFXBOHE-IBGZPJMESA-N 1 1 472.615 2.955 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001296067897 1064133463 /nfs/dbraw/zinc/13/34/63/1064133463.db2.gz LHGLZFAROCGMAY-FUHWJXTLSA-N 1 1 453.559 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(Br)o1 ZINC001296069821 1064135095 /nfs/dbraw/zinc/13/50/95/1064135095.db2.gz XXOWXIFKGJRJHQ-LSDHHAIUSA-N 1 1 486.436 2.656 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001296070614 1064135692 /nfs/dbraw/zinc/13/56/92/1064135692.db2.gz BWEYNNMMHWDIIK-IBGZPJMESA-N 1 1 479.551 2.643 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001296072757 1064137182 /nfs/dbraw/zinc/13/71/82/1064137182.db2.gz OZCFPWOJWYMUEJ-HSZRJFAPSA-N 1 1 481.689 2.789 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001296073597 1064138940 /nfs/dbraw/zinc/13/89/40/1064138940.db2.gz SWCLSHZFYATQOW-JOCHJYFZSA-N 1 1 468.646 2.861 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001296074617 1064140847 /nfs/dbraw/zinc/14/08/47/1064140847.db2.gz LSQPWSFUWTXTGX-IFMALSPDSA-N 1 1 483.661 2.947 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001296074622 1064140879 /nfs/dbraw/zinc/14/08/79/1064140879.db2.gz LSQPWSFUWTXTGX-UNMCSNQZSA-N 1 1 483.661 2.947 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296074905 1064142030 /nfs/dbraw/zinc/14/20/30/1064142030.db2.gz QQLMQAIGTFCHQX-DENIHFKCSA-N 1 1 454.619 2.613 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001291606510 1064142653 /nfs/dbraw/zinc/14/26/53/1064142653.db2.gz QPXKFQLIXSINPI-TZIWHRDSSA-N 1 1 468.650 2.877 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001291606507 1064142672 /nfs/dbraw/zinc/14/26/72/1064142672.db2.gz QPXKFQLIXSINPI-CTNGQTDRSA-N 1 1 468.650 2.877 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296075711 1064143288 /nfs/dbraw/zinc/14/32/88/1064143288.db2.gz QLEVWUYIKMYERI-VQTJNVASSA-N 1 1 473.666 2.520 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296075687 1064143386 /nfs/dbraw/zinc/14/33/86/1064143386.db2.gz PZXZIORLLUACKW-NNMXDRDESA-N 1 1 488.599 2.876 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296076045 1064144471 /nfs/dbraw/zinc/14/44/71/1064144471.db2.gz SDPJDLDSZUHMOG-QHAWAJNXSA-N 1 1 489.665 2.592 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296076474 1064144981 /nfs/dbraw/zinc/14/49/81/1064144981.db2.gz XCESBIDIPNICQJ-NHCUHLMSSA-N 1 1 470.618 2.655 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001296080214 1064147328 /nfs/dbraw/zinc/14/73/28/1064147328.db2.gz LEPREPJUWISWFE-IPMKNSEASA-N 1 1 470.684 2.547 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296080911 1064148209 /nfs/dbraw/zinc/14/82/09/1064148209.db2.gz OFIVXMUDWUKTTD-TZIWHRDSSA-N 1 1 467.618 2.689 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291610790 1064148334 /nfs/dbraw/zinc/14/83/34/1064148334.db2.gz PRSWLYBBFOGAQQ-WOJBJXKFSA-N 1 1 458.630 2.678 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O ZINC001296081326 1064148654 /nfs/dbraw/zinc/14/86/54/1064148654.db2.gz SGSMKCPKZHIACA-LJQANCHMSA-N 1 1 471.631 2.690 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296081330 1064148725 /nfs/dbraw/zinc/14/87/25/1064148725.db2.gz SJSHXXBTXXAJTE-SFHVURJKSA-N 1 1 461.408 2.860 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296081477 1064149783 /nfs/dbraw/zinc/14/97/83/1064149783.db2.gz UYGALWIGKHDJPL-GDBMZVCRSA-N 1 1 464.412 2.612 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084801 1064152329 /nfs/dbraw/zinc/15/23/29/1064152329.db2.gz OVPGFNOZNHDZCM-UXHICEINSA-N 1 1 489.665 2.939 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296086387 1064154419 /nfs/dbraw/zinc/15/44/19/1064154419.db2.gz IESKAMCIESRKBV-HSALFYBXSA-N 1 1 491.681 2.967 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001296086310 1064154479 /nfs/dbraw/zinc/15/44/79/1064154479.db2.gz HPOGZFUZWDHPBF-TZIWHRDSSA-N 1 1 459.683 2.530 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001296087123 1064156166 /nfs/dbraw/zinc/15/61/66/1064156166.db2.gz JZCURBNNBLVUKC-NVXWUHKLSA-N 1 1 461.554 2.753 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296087713 1064156757 /nfs/dbraw/zinc/15/67/57/1064156757.db2.gz GTCXGHHPOLLLOK-FQEVSTJZSA-N 1 1 470.618 2.929 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 ZINC001296087739 1064156776 /nfs/dbraw/zinc/15/67/76/1064156776.db2.gz HJUYPYIUYSANFR-IBGZPJMESA-N 1 1 478.688 2.623 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087634 1064156904 /nfs/dbraw/zinc/15/69/04/1064156904.db2.gz MPIXVSFLNBWLFX-PWRODBHTSA-N 1 1 492.665 2.776 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001296088938 1064159413 /nfs/dbraw/zinc/15/94/13/1064159413.db2.gz WBUXXTDVXROZCN-PXNSSMCTSA-N 1 1 467.586 2.969 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1CC[N@@H+](CC)C(C)C ZINC001291621549 1064161927 /nfs/dbraw/zinc/16/19/27/1064161927.db2.gz VFCKPROPIPXXJU-RBUKOAKNSA-N 1 1 454.627 2.675 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092041 1064163608 /nfs/dbraw/zinc/16/36/08/1064163608.db2.gz FMPGXYIYKRLFHL-FCHUYYIVSA-N 1 1 499.660 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296092684 1064165070 /nfs/dbraw/zinc/16/50/70/1064165070.db2.gz JPMQSLUTFJIHHC-TZIWHRDSSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001296093756 1064166017 /nfs/dbraw/zinc/16/60/17/1064166017.db2.gz RAMVZOPUCZDNJI-HSZRJFAPSA-N 1 1 455.651 2.685 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291626804 1064167786 /nfs/dbraw/zinc/16/77/86/1064167786.db2.gz AJCPDMNAAAIFNJ-ISKFKSNPSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626804 1064167793 /nfs/dbraw/zinc/16/77/93/1064167793.db2.gz AJCPDMNAAAIFNJ-ISKFKSNPSA-N 1 1 483.705 2.673 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001291628336 1064171145 /nfs/dbraw/zinc/17/11/45/1064171145.db2.gz BAQBJWOMJABECM-KOENEWCDSA-N 1 1 471.694 2.870 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296098365 1064171225 /nfs/dbraw/zinc/17/12/25/1064171225.db2.gz XKHOTUBTGAMCOI-KOSHJBKYSA-N 1 1 458.582 2.833 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001291632249 1064179698 /nfs/dbraw/zinc/17/96/98/1064179698.db2.gz LQWZPZVHGZWPGW-FYYLOGMGSA-N 1 1 467.662 2.572 20 0 JFADMO CCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CC=CCC2)CC1=O ZINC001296103790 1064182283 /nfs/dbraw/zinc/18/22/83/1064182283.db2.gz XONBIKYKAKVCMU-UHFFFAOYSA-N 1 1 460.529 2.867 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCc1cnn(C)n1 ZINC001291637654 1064184726 /nfs/dbraw/zinc/18/47/26/1064184726.db2.gz JDEKQUYYFLOVAO-IBGZPJMESA-N 1 1 452.607 2.884 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291639039 1064186937 /nfs/dbraw/zinc/18/69/37/1064186937.db2.gz OVGAZYWHTOASTP-FPOVZHCZSA-N 1 1 488.706 2.513 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291639449 1064187516 /nfs/dbraw/zinc/18/75/16/1064187516.db2.gz RFVHYORYICTKJF-GOSISDBHSA-N 1 1 461.680 2.990 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001291639449 1064187522 /nfs/dbraw/zinc/18/75/22/1064187522.db2.gz RFVHYORYICTKJF-GOSISDBHSA-N 1 1 461.680 2.990 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640261 1064188455 /nfs/dbraw/zinc/18/84/55/1064188455.db2.gz QSCDNXQVLADJOF-FCHUYYIVSA-N 1 1 462.683 2.840 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640264 1064188486 /nfs/dbraw/zinc/18/84/86/1064188486.db2.gz QSCDNXQVLADJOF-VXKWHMMOSA-N 1 1 462.683 2.840 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001296110569 1064189478 /nfs/dbraw/zinc/18/94/78/1064189478.db2.gz ODULPAULXYCILZ-QHCPKHFHSA-N 1 1 468.646 2.593 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642586 1064191771 /nfs/dbraw/zinc/19/17/71/1064191771.db2.gz LPUHSATYTUDIJA-FCHUYYIVSA-N 1 1 484.693 2.534 20 0 JFADMO CCN1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1=O ZINC001296116141 1064195900 /nfs/dbraw/zinc/19/59/00/1064195900.db2.gz AJEYTTINADYWIW-HXUWFJFHSA-N 1 1 454.619 2.615 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CCc3ccncc3)CC2)CC1 ZINC001296119027 1064203030 /nfs/dbraw/zinc/20/30/30/1064203030.db2.gz NQHIIRNVBCTFDR-UHFFFAOYSA-N 1 1 467.662 2.885 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)CC)CC2)CC1 ZINC001296119061 1064203465 /nfs/dbraw/zinc/20/34/65/1064203465.db2.gz OEOFRXIYDJDUJX-RUZDIDTESA-N 1 1 462.683 2.798 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120122 1064208250 /nfs/dbraw/zinc/20/82/50/1064208250.db2.gz FEBMFLLGEFBZDT-QGZVFWFLSA-N 1 1 494.482 2.925 20 0 JFADMO CCN1CCCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001296120826 1064210924 /nfs/dbraw/zinc/21/09/24/1064210924.db2.gz UDIRKMOSJFDJQL-UHFFFAOYSA-N 1 1 460.648 2.978 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121197 1064211829 /nfs/dbraw/zinc/21/18/29/1064211829.db2.gz NBSKBDSOPWGFOO-XOYNAWAESA-N 1 1 497.688 2.863 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001296121181 1064212179 /nfs/dbraw/zinc/21/21/79/1064212179.db2.gz ZTZPSYKWFCGOTG-UHFFFAOYSA-N 1 1 491.036 2.680 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001296121181 1064212185 /nfs/dbraw/zinc/21/21/85/1064212185.db2.gz ZTZPSYKWFCGOTG-UHFFFAOYSA-N 1 1 491.036 2.680 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291672344 1064213991 /nfs/dbraw/zinc/21/39/91/1064213991.db2.gz QCEZFUGHMUQADB-LEWJYISDSA-N 1 1 493.697 2.549 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124157 1064216593 /nfs/dbraw/zinc/21/65/93/1064216593.db2.gz FRBGFPTUDYEOBB-QGZVFWFLSA-N 1 1 492.043 2.726 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124452 1064217009 /nfs/dbraw/zinc/21/70/09/1064217009.db2.gz HLFGKTCPLZKQHB-FQEVSTJZSA-N 1 1 481.645 2.963 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124422 1064217050 /nfs/dbraw/zinc/21/70/50/1064217050.db2.gz HDFASARDUXAAPG-SFHVURJKSA-N 1 1 492.068 2.594 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124846 1064217555 /nfs/dbraw/zinc/21/75/55/1064217555.db2.gz JWZSWEDJZCBPBG-GOSISDBHSA-N 1 1 474.053 2.587 20 0 JFADMO CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001291686900 1064217802 /nfs/dbraw/zinc/21/78/02/1064217802.db2.gz VIMBCEASXXZTBH-XMMPIXPASA-N 1 1 457.663 2.778 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125203 1064218250 /nfs/dbraw/zinc/21/82/50/1064218250.db2.gz LIGBTGHDQMYMOH-SFHVURJKSA-N 1 1 462.042 2.587 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296125180 1064218389 /nfs/dbraw/zinc/21/83/89/1064218389.db2.gz LDWIREGLSNHEEC-ROUUACIJSA-N 1 1 463.026 2.858 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125560 1064219138 /nfs/dbraw/zinc/21/91/38/1064219138.db2.gz MSTKVHZNGKERFY-KNQAVFIVSA-N 1 1 477.053 2.866 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126025 1064219582 /nfs/dbraw/zinc/21/95/82/1064219582.db2.gz OQXWXVGXPSJGIJ-ZWKOTPCHSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125580 1064219667 /nfs/dbraw/zinc/21/96/67/1064219667.db2.gz MYBIKTKXAZAAOL-SFHVURJKSA-N 1 1 474.053 2.587 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296126849 1064220766 /nfs/dbraw/zinc/22/07/66/1064220766.db2.gz RYJIXMIUSMDOAF-MZKRTTBSSA-N 1 1 456.635 2.841 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127359 1064221695 /nfs/dbraw/zinc/22/16/95/1064221695.db2.gz UXZYBVLBDKKSBI-DCFHFQCYSA-N 1 1 481.689 2.970 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291704665 1064222346 /nfs/dbraw/zinc/22/23/46/1064222346.db2.gz OBVFUTSISIODEQ-LJQANCHMSA-N 1 1 476.691 2.857 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129849 1064223158 /nfs/dbraw/zinc/22/31/58/1064223158.db2.gz BWUFLCTXADHCBB-FQEVSTJZSA-N 1 1 451.619 2.987 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131768 1064226852 /nfs/dbraw/zinc/22/68/52/1064226852.db2.gz MYXJNUWHZLZCOE-LJQANCHMSA-N 1 1 473.632 2.967 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296131753 1064226911 /nfs/dbraw/zinc/22/69/11/1064226911.db2.gz MVRRXGZOIZGCRM-CLOONOSVSA-N 1 1 488.080 2.511 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131798 1064226957 /nfs/dbraw/zinc/22/69/57/1064226957.db2.gz NKZGRKZVXNHHRN-ICSRJNTNSA-N 1 1 461.680 2.523 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291720398 1064227451 /nfs/dbraw/zinc/22/74/51/1064227451.db2.gz OOPVOQOKNUHFLY-BURNTYAHSA-N 1 1 498.738 2.850 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132029 1064227869 /nfs/dbraw/zinc/22/78/69/1064227869.db2.gz QCNAZZJVARMFKQ-FXAWDEMLSA-N 1 1 484.542 2.802 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132039 1064228493 /nfs/dbraw/zinc/22/84/93/1064228493.db2.gz QGAYBGIDIMMISS-NRFANRHFSA-N 1 1 475.632 2.590 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132718 1064231732 /nfs/dbraw/zinc/23/17/32/1064231732.db2.gz VJQQNNYHRYXTOU-OAQYLSRUSA-N 1 1 463.630 2.935 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132871 1064232165 /nfs/dbraw/zinc/23/21/65/1064232165.db2.gz XDFYJIYBJAKCGP-GUDVDZBRSA-N 1 1 462.589 2.787 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133610 1064234326 /nfs/dbraw/zinc/23/43/26/1064234326.db2.gz JRIRCMOFBUVZOW-LJQANCHMSA-N 1 1 476.691 2.642 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134431 1064236269 /nfs/dbraw/zinc/23/62/69/1064236269.db2.gz OZZDUPWEXLIORH-YADHBBJMSA-N 1 1 470.662 2.929 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291754364 1064236296 /nfs/dbraw/zinc/23/62/96/1064236296.db2.gz SJEUPTAMZGRXNF-NHCUHLMSSA-N 1 1 487.693 2.719 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134762 1064236663 /nfs/dbraw/zinc/23/66/63/1064236663.db2.gz PYSORDIYKBXUBZ-AWEZNQCLSA-N 1 1 462.400 2.539 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759343 1064239223 /nfs/dbraw/zinc/23/92/23/1064239223.db2.gz FWAGKNQZKVCXDG-IAGOWNOFSA-N 1 1 466.627 2.629 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291759663 1064239653 /nfs/dbraw/zinc/23/96/53/1064239653.db2.gz HKLMRMIFYQWSDD-QZTJIDSGSA-N 1 1 488.633 2.758 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759345 1064239679 /nfs/dbraw/zinc/23/96/79/1064239679.db2.gz FWAGKNQZKVCXDG-SJORKVTESA-N 1 1 466.627 2.629 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759745 1064240461 /nfs/dbraw/zinc/24/04/61/1064240461.db2.gz JXGUBZUPLMHAQO-CEXWTWQISA-N 1 1 496.653 2.758 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001291762220 1064243392 /nfs/dbraw/zinc/24/33/92/1064243392.db2.gz XGRFWDHYHGVARN-IBGZPJMESA-N 1 1 467.618 2.689 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296137495 1064243966 /nfs/dbraw/zinc/24/39/66/1064243966.db2.gz PNIPVQXLFBRZLA-QGZVFWFLSA-N 1 1 473.588 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC001296138345 1064244677 /nfs/dbraw/zinc/24/46/77/1064244677.db2.gz VAUMCDPFUCABCW-SFHVURJKSA-N 1 1 464.618 2.798 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291763923 1064244821 /nfs/dbraw/zinc/24/48/21/1064244821.db2.gz YPHNZRGOUCKJLU-XLIONFOSSA-N 1 1 458.607 2.798 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291764429 1064245066 /nfs/dbraw/zinc/24/50/66/1064245066.db2.gz CUZIGGQKSPMLMC-GOSISDBHSA-N 1 1 458.607 2.751 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765273 1064245724 /nfs/dbraw/zinc/24/57/24/1064245724.db2.gz JYIUPXSTZROACK-HNNXBMFYSA-N 1 1 455.028 2.737 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296138878 1064245781 /nfs/dbraw/zinc/24/57/81/1064245781.db2.gz YJSKNPWVUOKRSG-RBUKOAKNSA-N 1 1 477.654 2.548 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291765722 1064247163 /nfs/dbraw/zinc/24/71/63/1064247163.db2.gz PPDAEYZOSXEJAL-MRXNPFEDSA-N 1 1 455.994 2.985 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 ZINC001291766437 1064248089 /nfs/dbraw/zinc/24/80/89/1064248089.db2.gz DCUAMUIUKMHEBC-GOSISDBHSA-N 1 1 456.591 2.505 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766689 1064248110 /nfs/dbraw/zinc/24/81/10/1064248110.db2.gz FKKFSJHQPUTEKV-HKUYNNGSSA-N 1 1 477.631 2.808 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@H]1C ZINC001296142003 1064248563 /nfs/dbraw/zinc/24/85/63/1064248563.db2.gz HKDUTUYRQQZULP-QGZVFWFLSA-N 1 1 482.585 2.953 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291768516 1064250673 /nfs/dbraw/zinc/25/06/73/1064250673.db2.gz XAVPFOWRLAXUNZ-VQTJNVASSA-N 1 1 499.685 2.989 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001291768514 1064250732 /nfs/dbraw/zinc/25/07/32/1064250732.db2.gz XAVPFOWRLAXUNZ-PMACEKPBSA-N 1 1 499.685 2.989 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@H]1C ZINC001296142731 1064251097 /nfs/dbraw/zinc/25/10/97/1064251097.db2.gz MSSOYWCCVZAHSB-PXDATVDWSA-N 1 1 476.666 2.642 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001291770934 1064252216 /nfs/dbraw/zinc/25/22/16/1064252216.db2.gz AUGZYBGZZWLNKR-QFIPXVFZSA-N 1 1 496.704 2.950 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC001296143407 1064252351 /nfs/dbraw/zinc/25/23/51/1064252351.db2.gz PZMXAPBEEVPJDN-MOPGFXCFSA-N 1 1 459.591 2.546 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(C)n2)C[C@@H]1C ZINC001296144556 1064253911 /nfs/dbraw/zinc/25/39/11/1064253911.db2.gz ANQDBHQADMXCTR-INIZCTEOSA-N 1 1 474.656 2.887 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC(C)(OC)C1 ZINC001291771925 1064254674 /nfs/dbraw/zinc/25/46/74/1064254674.db2.gz KOVXRRULQSTIIX-KRWDZBQOSA-N 1 1 453.591 2.630 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001296145084 1064254809 /nfs/dbraw/zinc/25/48/09/1064254809.db2.gz CXTBWBCBTLZXBU-WMZOPIPTSA-N 1 1 464.408 2.962 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001296145078 1064254946 /nfs/dbraw/zinc/25/49/46/1064254946.db2.gz CXTBWBCBTLZXBU-AEFFLSMTSA-N 1 1 464.408 2.962 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001291772432 1064255811 /nfs/dbraw/zinc/25/58/11/1064255811.db2.gz QWXFDMKJXUVUOK-MRXNPFEDSA-N 1 1 457.652 2.809 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773413 1064258397 /nfs/dbraw/zinc/25/83/97/1064258397.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 1 1 488.702 2.623 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001296147714 1064258836 /nfs/dbraw/zinc/25/88/36/1064258836.db2.gz QLUDSDNUVFUNTR-QWHCGFSZSA-N 1 1 453.410 2.578 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001291773675 1064259341 /nfs/dbraw/zinc/25/93/41/1064259341.db2.gz ISYYWSUNWBNFCZ-GBESFXJTSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001291773679 1064259405 /nfs/dbraw/zinc/25/94/05/1064259405.db2.gz ISYYWSUNWBNFCZ-OTWHNJEPSA-N 1 1 461.611 2.987 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148283 1064259445 /nfs/dbraw/zinc/25/94/45/1064259445.db2.gz VNRZXYXTLIKGHR-WOJBJXKFSA-N 1 1 454.623 2.578 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001296148327 1064259803 /nfs/dbraw/zinc/25/98/03/1064259803.db2.gz VTRCKDVDQBXHEN-VCOUNFBDSA-N 1 1 490.674 2.541 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291773678 1064259887 /nfs/dbraw/zinc/25/98/87/1064259887.db2.gz VLWZQSKBPBOHOU-MSOLQXFVSA-N 1 1 477.679 2.972 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@@H]1C ZINC001296148539 1064260235 /nfs/dbraw/zinc/26/02/35/1064260235.db2.gz XRHIRNZGLFXGEQ-HOCLYGCPSA-N 1 1 478.594 2.661 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC001296148542 1064260310 /nfs/dbraw/zinc/26/03/10/1064260310.db2.gz XSGFMQCRQDQUSR-CTNGQTDRSA-N 1 1 463.586 2.714 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(C)CCCO2)C[C@H]1C ZINC001296148469 1064260335 /nfs/dbraw/zinc/26/03/35/1064260335.db2.gz WIUXFZGAVGUFEV-UZUQRXQVSA-N 1 1 461.010 2.961 20 0 JFADMO CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001296149065 1064261331 /nfs/dbraw/zinc/26/13/31/1064261331.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 1 1 451.619 2.992 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001296149065 1064261338 /nfs/dbraw/zinc/26/13/38/1064261338.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 1 1 451.619 2.992 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001296149065 1064261346 /nfs/dbraw/zinc/26/13/46/1064261346.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 1 1 451.619 2.992 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C ZINC001296149778 1064261847 /nfs/dbraw/zinc/26/18/47/1064261847.db2.gz KKLBBJCCUIJDGV-IVZQSRNASA-N 1 1 491.434 2.725 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001296150590 1064262468 /nfs/dbraw/zinc/26/24/68/1064262468.db2.gz ONBHJSKJMOCGLC-XDHUDOTRSA-N 1 1 455.559 2.993 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001291774386 1064262602 /nfs/dbraw/zinc/26/26/02/1064262602.db2.gz MWUJXDPLWIQHDY-WTGUMLROSA-N 1 1 478.638 2.684 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001291774493 1064263072 /nfs/dbraw/zinc/26/30/72/1064263072.db2.gz OKZBSXPBKPSIKA-SXLOBPIMSA-N 1 1 496.703 2.744 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774667 1064263511 /nfs/dbraw/zinc/26/35/11/1064263511.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 1 1 458.655 2.696 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001291774667 1064263520 /nfs/dbraw/zinc/26/35/20/1064263520.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 1 1 458.655 2.696 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775239 1064263929 /nfs/dbraw/zinc/26/39/29/1064263929.db2.gz VRVYZQMPVUJYOT-AZUAARDMSA-N 1 1 463.648 2.864 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2C[C@H](C)SC)c2ccccc2c1=O ZINC001296154245 1064264408 /nfs/dbraw/zinc/26/44/08/1064264408.db2.gz CDPJAFSWDLFUIB-SJORKVTESA-N 1 1 455.632 2.957 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264432 /nfs/dbraw/zinc/26/44/32/1064264432.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 1 1 477.451 2.959 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291778574 1064266216 /nfs/dbraw/zinc/26/62/16/1064266216.db2.gz JPEXMINMEOKBNX-KRWDZBQOSA-N 1 1 451.612 2.752 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291778326 1064266434 /nfs/dbraw/zinc/26/64/34/1064266434.db2.gz HZQSFSPYGUZMBP-YLJYHZDGSA-N 1 1 451.612 2.752 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291778575 1064266748 /nfs/dbraw/zinc/26/67/48/1064266748.db2.gz JPEXMINMEOKBNX-QGZVFWFLSA-N 1 1 451.612 2.752 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291778943 1064266899 /nfs/dbraw/zinc/26/68/99/1064266899.db2.gz MYZQNERAHVCDTG-OAQYLSRUSA-N 1 1 483.661 2.946 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@H]1C ZINC001296155720 1064267496 /nfs/dbraw/zinc/26/74/96/1064267496.db2.gz SADNMWUNJFGWOY-NQIIRXRSSA-N 1 1 467.618 2.793 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001291779877 1064267838 /nfs/dbraw/zinc/26/78/38/1064267838.db2.gz UDBFXKNVRHLHAO-IBGZPJMESA-N 1 1 494.619 2.559 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001296155860 1064268120 /nfs/dbraw/zinc/26/81/20/1064268120.db2.gz SEPCMYXIHYBQIG-AESQFQPQSA-N 1 1 471.631 2.672 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@@](=O)C(C)(C)C)C[C@@H]1C ZINC001296155860 1064268130 /nfs/dbraw/zinc/26/81/30/1064268130.db2.gz SEPCMYXIHYBQIG-AESQFQPQSA-N 1 1 471.631 2.672 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291781294 1064268520 /nfs/dbraw/zinc/26/85/20/1064268520.db2.gz DIIKHMYVAHTWDN-AZUAARDMSA-N 1 1 461.680 2.523 20 0 JFADMO CCn1nc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O ZINC001296155950 1064268592 /nfs/dbraw/zinc/26/85/92/1064268592.db2.gz SMLIEMLNYXKTHL-GOSISDBHSA-N 1 1 494.644 2.510 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001291781753 1064268842 /nfs/dbraw/zinc/26/88/42/1064268842.db2.gz HQWJUXIEAGMJQN-KRWDZBQOSA-N 1 1 483.646 2.701 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001291781561 1064268946 /nfs/dbraw/zinc/26/89/46/1064268946.db2.gz GDBJKXBOHVRAKE-OXQOHEQNSA-N 1 1 458.636 2.676 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cc(OC)ccc2OC)C[C@@H]1C ZINC001296156799 1064269331 /nfs/dbraw/zinc/26/93/31/1064269331.db2.gz VRFMSOQSXDLKQR-SFHVURJKSA-N 1 1 453.591 2.859 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291781760 1064269587 /nfs/dbraw/zinc/26/95/87/1064269587.db2.gz HSDQRIPATVUEFS-HXUWFJFHSA-N 1 1 463.630 2.840 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001296157456 1064269868 /nfs/dbraw/zinc/26/98/68/1064269868.db2.gz XPEWBLWBJDVOKV-DYXWJJEUSA-N 1 1 453.635 2.889 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001296157573 1064271200 /nfs/dbraw/zinc/27/12/00/1064271200.db2.gz ZRYAUUDRPJVFKR-OAHLLOKOSA-N 1 1 462.480 2.650 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001291782897 1064274018 /nfs/dbraw/zinc/27/40/18/1064274018.db2.gz UVKGCOOMWFRDQD-UNMCSNQZSA-N 1 1 468.650 2.576 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001291782894 1064274130 /nfs/dbraw/zinc/27/41/30/1064274130.db2.gz UVKGCOOMWFRDQD-IFMALSPDSA-N 1 1 468.650 2.576 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC001296160492 1064274994 /nfs/dbraw/zinc/27/49/94/1064274994.db2.gz HEXVVCGXKWSMDD-HXUWFJFHSA-N 1 1 461.614 2.739 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001291783296 1064275341 /nfs/dbraw/zinc/27/53/41/1064275341.db2.gz JUCQKIUGEWKUBL-FFZOFVMBSA-N 1 1 459.547 2.710 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001291783295 1064275420 /nfs/dbraw/zinc/27/54/20/1064275420.db2.gz JUCQKIUGEWKUBL-DBVUQKKJSA-N 1 1 459.547 2.710 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001291783448 1064276429 /nfs/dbraw/zinc/27/64/29/1064276429.db2.gz LNOPQFBRDXISCG-NRFANRHFSA-N 1 1 492.690 2.676 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001291783387 1064276646 /nfs/dbraw/zinc/27/66/46/1064276646.db2.gz KSWLVRXKWBCNDF-WIYYLYMNSA-N 1 1 497.644 2.941 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC ZINC001291783655 1064277183 /nfs/dbraw/zinc/27/71/83/1064277183.db2.gz BJVOTMHJCLESJD-QRVBRYPASA-N 1 1 477.654 2.795 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291783656 1064277790 /nfs/dbraw/zinc/27/77/90/1064277790.db2.gz BJVOTMHJCLESJD-QYZOEREBSA-N 1 1 477.654 2.795 20 0 JFADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1=O ZINC001296163557 1064278272 /nfs/dbraw/zinc/27/82/72/1064278272.db2.gz ZJHOLFGKLLWSCW-CABCVRRESA-N 1 1 452.368 2.806 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001296163743 1064279474 /nfs/dbraw/zinc/27/94/74/1064279474.db2.gz YPEVGENDTHBXOQ-FFZYEISDSA-N 1 1 494.706 2.834 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001296163743 1064279485 /nfs/dbraw/zinc/27/94/85/1064279485.db2.gz YPEVGENDTHBXOQ-FFZYEISDSA-N 1 1 494.706 2.834 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291785484 1064281238 /nfs/dbraw/zinc/28/12/38/1064281238.db2.gz VRWDIONFPIFYAX-OALUTQOASA-N 1 1 477.654 2.576 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001291785894 1064281733 /nfs/dbraw/zinc/28/17/33/1064281733.db2.gz YDXQOCSNWRGWIJ-KNQAVFIVSA-N 1 1 469.638 2.664 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001296164720 1064282519 /nfs/dbraw/zinc/28/25/19/1064282519.db2.gz BFHRRNOURQYGRG-SFHVURJKSA-N 1 1 487.674 2.591 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001291786216 1064282960 /nfs/dbraw/zinc/28/29/60/1064282960.db2.gz ZEVVWAAJZBDROT-IPMKNSEASA-N 1 1 460.648 2.863 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296164968 1064284087 /nfs/dbraw/zinc/28/40/87/1064284087.db2.gz GEBQOBAMXYRTIC-VQTJNVASSA-N 1 1 470.618 2.655 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788480 1064285248 /nfs/dbraw/zinc/28/52/48/1064285248.db2.gz HVRPJPNBYBFRAM-KGLIPLIRSA-N 1 1 455.349 2.673 20 0 JFADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788480 1064285260 /nfs/dbraw/zinc/28/52/60/1064285260.db2.gz HVRPJPNBYBFRAM-KGLIPLIRSA-N 1 1 455.349 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001296167126 1064289902 /nfs/dbraw/zinc/28/99/02/1064289902.db2.gz QSPJYRGWMDCYJW-OAQYLSRUSA-N 1 1 456.635 2.807 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001296167717 1064291003 /nfs/dbraw/zinc/29/10/03/1064291003.db2.gz IIWUOYUGYQGXQA-MRXNPFEDSA-N 1 1 461.636 2.643 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001296170605 1064293242 /nfs/dbraw/zinc/29/32/42/1064293242.db2.gz OLSRCMUYUMSRIW-IBGZPJMESA-N 1 1 454.619 2.980 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnccc2OC)C[C@H]1C ZINC001296173369 1064295896 /nfs/dbraw/zinc/29/58/96/1064295896.db2.gz IAOSLIBTQHUXSD-GOSISDBHSA-N 1 1 452.559 2.848 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)CC1 ZINC001296173682 1064296942 /nfs/dbraw/zinc/29/69/42/1064296942.db2.gz JXBFEBMTOYUVOZ-IBGZPJMESA-N 1 1 463.577 2.705 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296173690 1064296973 /nfs/dbraw/zinc/29/69/73/1064296973.db2.gz KBDFSKCXVCNCLA-GBESFXJTSA-N 1 1 489.665 2.625 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296173691 1064297100 /nfs/dbraw/zinc/29/71/00/1064297100.db2.gz KBDFSKCXVCNCLA-QRVBRYPASA-N 1 1 489.665 2.625 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173719 1064297699 /nfs/dbraw/zinc/29/76/99/1064297699.db2.gz KQTAQARZYIGRNX-IBGZPJMESA-N 1 1 460.598 2.637 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296173720 1064298055 /nfs/dbraw/zinc/29/80/55/1064298055.db2.gz KQTAQARZYIGRNX-LJQANCHMSA-N 1 1 460.598 2.637 20 0 JFADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001296173754 1064298670 /nfs/dbraw/zinc/29/86/70/1064298670.db2.gz LOLGXZLEFADZSQ-OAQYLSRUSA-N 1 1 486.661 2.631 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296174206 1064300313 /nfs/dbraw/zinc/30/03/13/1064300313.db2.gz OJVLUBOLHPVXBZ-UNMCSNQZSA-N 1 1 474.625 2.883 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296174204 1064300584 /nfs/dbraw/zinc/30/05/84/1064300584.db2.gz OJVLUBOLHPVXBZ-IRLDBZIGSA-N 1 1 474.625 2.883 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(O)CCOCC2)C[C@@H]1C ZINC001296174149 1064301000 /nfs/dbraw/zinc/30/10/00/1064301000.db2.gz OOVFPXLMJVNKRW-SLFFLAALSA-N 1 1 492.665 2.511 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296174173 1064301060 /nfs/dbraw/zinc/30/10/60/1064301060.db2.gz PFCMTIXYJNPTTP-RWTJRTBCSA-N 1 1 461.582 2.579 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC2(O)CCOCC2)C[C@H]1C ZINC001296174148 1064301308 /nfs/dbraw/zinc/30/13/08/1064301308.db2.gz OOVFPXLMJVNKRW-AQNXPRMDSA-N 1 1 492.665 2.511 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CC(O)(CC)CC)C2)CC1 ZINC001296179849 1064309640 /nfs/dbraw/zinc/30/96/40/1064309640.db2.gz JEAOSXQFOPYCLB-OAQYLSRUSA-N 1 1 456.635 2.721 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179725 1064309859 /nfs/dbraw/zinc/30/98/59/1064309859.db2.gz HQLNEVYXXWIBFS-RCZVLFRGSA-N 1 1 460.667 2.891 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180249 1064310864 /nfs/dbraw/zinc/31/08/64/1064310864.db2.gz LRBCDZMKGDKJAO-DLBZAZTESA-N 1 1 462.586 2.989 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4OC)n3CCC(C)(C)O)C2)CC1 ZINC001296180083 1064310918 /nfs/dbraw/zinc/31/09/18/1064310918.db2.gz LDDAMDSCKHUBAT-LJQANCHMSA-N 1 1 477.053 2.984 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180252 1064311479 /nfs/dbraw/zinc/31/14/79/1064311479.db2.gz LRBCDZMKGDKJAO-SJORKVTESA-N 1 1 462.586 2.989 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180607 1064312390 /nfs/dbraw/zinc/31/23/90/1064312390.db2.gz OOZKSBQGHSORGB-FYYLOGMGSA-N 1 1 499.679 2.566 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181255 1064314119 /nfs/dbraw/zinc/31/41/19/1064314119.db2.gz WBTSIDIXSJPCDN-NRFANRHFSA-N 1 1 456.635 2.985 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181156 1064314205 /nfs/dbraw/zinc/31/42/05/1064314205.db2.gz SRIMJVKKTPDHBO-DVECYGJZSA-N 1 1 477.053 2.602 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181319 1064314916 /nfs/dbraw/zinc/31/49/16/1064314916.db2.gz VRMHWIJMTMTPSY-IBGZPJMESA-N 1 1 457.589 2.646 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(C4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181550 1064316123 /nfs/dbraw/zinc/31/61/23/1064316123.db2.gz XIENCHBQHALDBV-FQEVSTJZSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001291804198 1064319916 /nfs/dbraw/zinc/31/99/16/1064319916.db2.gz OYGUDMABZGPUSN-VQTJNVASSA-N 1 1 484.645 2.948 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182120 1064321307 /nfs/dbraw/zinc/32/13/07/1064321307.db2.gz NAOUSWZJWCEHFH-QFIPXVFZSA-N 1 1 485.652 2.570 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182146 1064321344 /nfs/dbraw/zinc/32/13/44/1064321344.db2.gz NSQDOWUAMBADPB-DEOSSOPVSA-N 1 1 495.716 2.832 20 0 JFADMO CCN1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182183 1064321929 /nfs/dbraw/zinc/32/19/29/1064321929.db2.gz ORSALDOIYKZMHJ-HSZRJFAPSA-N 1 1 483.705 2.970 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001296182398 1064323159 /nfs/dbraw/zinc/32/31/59/1064323159.db2.gz RWJWZLSOFBSONV-OTWHNJEPSA-N 1 1 488.599 2.807 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182596 1064323922 /nfs/dbraw/zinc/32/39/22/1064323922.db2.gz UYIXTYHISNISGJ-LJQANCHMSA-N 1 1 473.691 2.794 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001291806046 1064326423 /nfs/dbraw/zinc/32/64/23/1064326423.db2.gz YRFAFVDLSVZWDT-RCCFBDPRSA-N 1 1 456.591 2.898 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183021 1064326920 /nfs/dbraw/zinc/32/69/20/1064326920.db2.gz YDWFZSWMPAITMC-OAQYLSRUSA-N 1 1 456.635 2.758 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183809 1064329783 /nfs/dbraw/zinc/32/97/83/1064329783.db2.gz GHZRGAXCAGADIE-WOJBJXKFSA-N 1 1 477.698 2.990 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296183814 1064329844 /nfs/dbraw/zinc/32/98/44/1064329844.db2.gz GNFSTACYUYTVSP-NFBKMPQASA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296184318 1064331666 /nfs/dbraw/zinc/33/16/66/1064331666.db2.gz JOQPBPRIHJHELC-XUVXKRRUSA-N 1 1 486.690 2.529 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184423 1064331692 /nfs/dbraw/zinc/33/16/92/1064331692.db2.gz KWENHIQGXBWDPM-QFIPXVFZSA-N 1 1 477.698 2.980 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296184909 1064332332 /nfs/dbraw/zinc/33/23/32/1064332332.db2.gz MXVNBEQDBCJVFV-NRFANRHFSA-N 1 1 459.683 2.656 20 0 JFADMO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001296185685 1064333538 /nfs/dbraw/zinc/33/35/38/1064333538.db2.gz QOOWRQGRHJHPMV-JOCHJYFZSA-N 1 1 468.694 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186054 1064334434 /nfs/dbraw/zinc/33/44/34/1064334434.db2.gz SXSFECROQFZXAL-GOSISDBHSA-N 1 1 489.615 2.531 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190052 1064337055 /nfs/dbraw/zinc/33/70/55/1064337055.db2.gz BHZFOPVYDKCCGU-NHCUHLMSSA-N 1 1 488.681 2.835 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190361 1064337714 /nfs/dbraw/zinc/33/77/14/1064337714.db2.gz CMLJVJLUJTYQJV-NRFANRHFSA-N 1 1 487.718 2.509 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190978 1064341062 /nfs/dbraw/zinc/34/10/62/1064341062.db2.gz GYCWLNKRAUZNPQ-SFHVURJKSA-N 1 1 485.706 2.586 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001291814998 1064343383 /nfs/dbraw/zinc/34/33/83/1064343383.db2.gz BIQRQUIISQKQCR-VQTJNVASSA-N 1 1 453.635 2.879 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001291815614 1064344714 /nfs/dbraw/zinc/34/47/14/1064344714.db2.gz ABCSETFBYPVQFY-FPOVZHCZSA-N 1 1 472.609 2.938 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296192521 1064345414 /nfs/dbraw/zinc/34/54/14/1064345414.db2.gz FVYWOMRLGYJBQU-CJFMBICVSA-N 1 1 455.651 2.927 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192774 1064346835 /nfs/dbraw/zinc/34/68/35/1064346835.db2.gz NQPJNKRVJXPNBR-UNMCSNQZSA-N 1 1 456.635 2.701 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291816671 1064347026 /nfs/dbraw/zinc/34/70/26/1064347026.db2.gz HKQRHQVVQSCQSX-DFBJGRDBSA-N 1 1 472.609 2.614 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192807 1064347493 /nfs/dbraw/zinc/34/74/93/1064347493.db2.gz GPNLFARUOWHYJW-SFTDATJTSA-N 1 1 456.635 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(F)(F)C2)CC1 ZINC001296192798 1064347511 /nfs/dbraw/zinc/34/75/11/1064347511.db2.gz NSKNGJDNKUATDF-LJQANCHMSA-N 1 1 462.589 2.997 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192901 1064347897 /nfs/dbraw/zinc/34/78/97/1064347897.db2.gz GWEOMNSFJBJSAC-HXKBJWFLSA-N 1 1 462.683 2.902 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193183 1064348929 /nfs/dbraw/zinc/34/89/29/1064348929.db2.gz HVOVGNZPDRLRSU-VXKWHMMOSA-N 1 1 475.726 2.838 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193352 1064350505 /nfs/dbraw/zinc/35/05/05/1064350505.db2.gz IKEMZKDDJBZGJZ-ICSRJNTNSA-N 1 1 458.655 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193699 1064351080 /nfs/dbraw/zinc/35/10/80/1064351080.db2.gz PDROLAUYWKMQQB-MJGOQNOKSA-N 1 1 486.608 2.972 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193710 1064352467 /nfs/dbraw/zinc/35/24/67/1064352467.db2.gz PGBAQTUBISQRTO-OFVILXPXSA-N 1 1 462.683 2.525 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194080 1064354105 /nfs/dbraw/zinc/35/41/05/1064354105.db2.gz LHOBQRRAWKGUCV-ZJOUEHCJSA-N 1 1 475.682 2.779 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194097 1064354160 /nfs/dbraw/zinc/35/41/60/1064354160.db2.gz LMZBKVWWCBWGAG-SFHVURJKSA-N 1 1 495.594 2.905 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291818424 1064355651 /nfs/dbraw/zinc/35/56/51/1064355651.db2.gz VBEQEUKPGLNKDS-TZIWHRDSSA-N 1 1 489.064 2.986 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194436 1064356058 /nfs/dbraw/zinc/35/60/58/1064356058.db2.gz SKIKHCXBMABKOY-AZUAARDMSA-N 1 1 461.680 2.847 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194668 1064356725 /nfs/dbraw/zinc/35/67/25/1064356725.db2.gz NDAAMYRUQLKHJF-LJQANCHMSA-N 1 1 474.723 2.941 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296194621 1064356836 /nfs/dbraw/zinc/35/68/36/1064356836.db2.gz MWROTUMZGPJUNH-NHCUHLMSSA-N 1 1 474.625 2.885 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296195190 1064358953 /nfs/dbraw/zinc/35/89/53/1064358953.db2.gz OMGZDGPEEJDBAZ-GOSISDBHSA-N 1 1 456.664 2.959 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195640 1064359840 /nfs/dbraw/zinc/35/98/40/1064359840.db2.gz PRWHKFYQBJRPTH-IRLDBZIGSA-N 1 1 498.676 2.717 20 0 JFADMO CCN1CCCN(c2nnc(-c3ccccc3C)n2CCCCN2CC[NH+](CC)CC2)CC1=O ZINC001296195408 1064360891 /nfs/dbraw/zinc/36/08/91/1064360891.db2.gz JMXURURZRGNQRB-UHFFFAOYSA-N 1 1 467.662 2.730 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2F)CC1 ZINC001296195389 1064360987 /nfs/dbraw/zinc/36/09/87/1064360987.db2.gz JCHAPYGULKWFML-UHFFFAOYSA-N 1 1 452.582 2.928 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001296196040 1064364211 /nfs/dbraw/zinc/36/42/11/1064364211.db2.gz ODSDTKROBXSJKZ-QFIPXVFZSA-N 1 1 477.053 2.868 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195868 1064364278 /nfs/dbraw/zinc/36/42/78/1064364278.db2.gz RIMDIMVJLVGEMM-HFZDXXHNSA-N 1 1 486.709 2.809 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296196096 1064364834 /nfs/dbraw/zinc/36/48/34/1064364834.db2.gz XCZUZDUEXNWSDH-QKNQBKEWSA-N 1 1 495.594 2.694 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001291822682 1064365301 /nfs/dbraw/zinc/36/53/01/1064365301.db2.gz MOCAWOHBKIWFKN-BVSLBCMMSA-N 1 1 460.667 2.863 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001291822684 1064365383 /nfs/dbraw/zinc/36/53/83/1064365383.db2.gz MOCAWOHBKIWFKN-KSEOMHKRSA-N 1 1 460.667 2.863 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296196118 1064365644 /nfs/dbraw/zinc/36/56/44/1064365644.db2.gz XJFWDYFRSVTDEO-GOSISDBHSA-N 1 1 460.589 2.644 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296196236 1064365738 /nfs/dbraw/zinc/36/57/38/1064365738.db2.gz YEPXVZCIJUEUBQ-NRFANRHFSA-N 1 1 471.694 2.857 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196366 1064366455 /nfs/dbraw/zinc/36/64/55/1064366455.db2.gz SBIYNAURZJDMHW-DENIHFKCSA-N 1 1 471.698 2.899 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296196475 1064367421 /nfs/dbraw/zinc/36/74/21/1064367421.db2.gz PKDXHKFQSNZBGR-SANMLTNESA-N 1 1 467.662 2.634 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001296196944 1064371283 /nfs/dbraw/zinc/37/12/83/1064371283.db2.gz WWSICMZKMBFTDW-JTAQYXEDSA-N 1 1 483.661 2.709 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001296197042 1064372009 /nfs/dbraw/zinc/37/20/09/1064372009.db2.gz WVCJLTPYJDWOHA-UHFFFAOYSA-N 1 1 497.688 2.924 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001291825573 1064372908 /nfs/dbraw/zinc/37/29/08/1064372908.db2.gz BXEWPZWRVDVFAL-UQBPGWFLSA-N 1 1 488.608 2.602 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3cc(C)ccc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001296202113 1064376614 /nfs/dbraw/zinc/37/66/14/1064376614.db2.gz DPBTWZOLAVPHFS-QHCPKHFHSA-N 1 1 497.688 2.559 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccccc3)CC2)CC1 ZINC001296202508 1064377831 /nfs/dbraw/zinc/37/78/31/1064377831.db2.gz DNTQUARUKVLSCC-UHFFFAOYSA-N 1 1 467.662 2.828 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202543 1064377958 /nfs/dbraw/zinc/37/79/58/1064377958.db2.gz FEGQYIVBVNBBTG-OAQYLSRUSA-N 1 1 471.650 2.712 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001296202578 1064378632 /nfs/dbraw/zinc/37/86/32/1064378632.db2.gz GDMSPDCWVGNKSU-NRFANRHFSA-N 1 1 464.561 2.793 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296202952 1064379209 /nfs/dbraw/zinc/37/92/09/1064379209.db2.gz JBLJXOWSLRZQIS-OAQYLSRUSA-N 1 1 456.635 2.520 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCN(c4nc(C)cc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203109 1064380568 /nfs/dbraw/zinc/38/05/68/1064380568.db2.gz ICCJMHOUHBLRFD-UHFFFAOYSA-N 1 1 483.709 2.727 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203108 1064380671 /nfs/dbraw/zinc/38/06/71/1064380671.db2.gz IBIJYWFHYXKYSV-BXXSPATCSA-N 1 1 476.710 2.822 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296203057 1064380711 /nfs/dbraw/zinc/38/07/11/1064380711.db2.gz KRDFKANSOSXCSC-QHCPKHFHSA-N 1 1 468.646 2.594 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203327 1064381250 /nfs/dbraw/zinc/38/12/50/1064381250.db2.gz KVHZAPGDXJMHJD-URVUXULASA-N 1 1 474.625 2.792 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296203756 1064383011 /nfs/dbraw/zinc/38/30/11/1064383011.db2.gz OZQZDWXYTJHGLT-HDICACEKSA-N 1 1 494.482 2.687 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204040 1064383511 /nfs/dbraw/zinc/38/35/11/1064383511.db2.gz POUDMZMDVDBYAR-SFHVURJKSA-N 1 1 477.604 2.920 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(N3CCC[C@H](C(=O)NCC4CC4)C3)nnc2C(C)(C)C)CC1 ZINC001296204107 1064384912 /nfs/dbraw/zinc/38/49/12/1064384912.db2.gz SASCNGXWKDKMKY-QFIPXVFZSA-N 1 1 473.710 2.736 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204244 1064385651 /nfs/dbraw/zinc/38/56/51/1064385651.db2.gz IXMCRPZBFGEPOS-VXKWHMMOSA-N 1 1 462.683 2.984 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205072 1064387861 /nfs/dbraw/zinc/38/78/61/1064387861.db2.gz WVPHGVMXIRPWOY-DENIHFKCSA-N 1 1 471.625 2.983 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC001296205028 1064388622 /nfs/dbraw/zinc/38/86/22/1064388622.db2.gz QUPHCMDYVCYLPG-STWLZBDKSA-N 1 1 462.683 2.667 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205201 1064389599 /nfs/dbraw/zinc/38/95/99/1064389599.db2.gz YHNSSNPBZBYRHF-TZIWHRDSSA-N 1 1 475.682 2.923 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296205267 1064390063 /nfs/dbraw/zinc/39/00/63/1064390063.db2.gz RKFQKNKMKJITND-KRWDZBQOSA-N 1 1 466.055 2.608 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001296205326 1064390831 /nfs/dbraw/zinc/39/08/31/1064390831.db2.gz TWCIVLDWELTJAH-UHFFFAOYSA-N 1 1 474.698 2.593 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205566 1064391155 /nfs/dbraw/zinc/39/11/55/1064391155.db2.gz WPAAZGRLZPGGLA-NQIIRXRSSA-N 1 1 457.598 2.593 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296206083 1064393351 /nfs/dbraw/zinc/39/33/51/1064393351.db2.gz HYYDSRVZICOEKV-FQEVSTJZSA-N 1 1 487.649 2.978 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001291831991 1064393725 /nfs/dbraw/zinc/39/37/25/1064393725.db2.gz DYVWANZUSLMFPC-CTNGQTDRSA-N 1 1 471.650 2.758 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296206225 1064393974 /nfs/dbraw/zinc/39/39/74/1064393974.db2.gz KLXHGAFWTSFMNL-QGZVFWFLSA-N 1 1 494.471 2.946 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001291831999 1064394514 /nfs/dbraw/zinc/39/45/14/1064394514.db2.gz DYVWANZUSLMFPC-TZIWHRDSSA-N 1 1 471.650 2.758 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296209927 1064400072 /nfs/dbraw/zinc/40/00/72/1064400072.db2.gz BSLFMQDWUXVSQQ-HXUWFJFHSA-N 1 1 475.682 2.704 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296209926 1064400169 /nfs/dbraw/zinc/40/01/69/1064400169.db2.gz BSLFMQDWUXVSQQ-FQEVSTJZSA-N 1 1 475.682 2.704 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296210057 1064400238 /nfs/dbraw/zinc/40/02/38/1064400238.db2.gz CUEDJIXBTOOJQY-UHFFFAOYSA-N 1 1 473.710 2.733 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3cc(C)ccc3C)nnc2N2CCCOCC2)CC1 ZINC001296210613 1064400844 /nfs/dbraw/zinc/40/08/44/1064400844.db2.gz GYUQODNYOLCJRK-UHFFFAOYSA-N 1 1 456.635 2.728 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296210649 1064400901 /nfs/dbraw/zinc/40/09/01/1064400901.db2.gz HCTACUJMDQBKBA-IBGZPJMESA-N 1 1 459.605 2.577 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296213306 1064408093 /nfs/dbraw/zinc/40/80/93/1064408093.db2.gz HDCAVORVVOQKJD-IFMALSPDSA-N 1 1 491.725 2.575 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001291834202 1064408683 /nfs/dbraw/zinc/40/86/83/1064408683.db2.gz VBXOHFZCNJEKDN-OALUTQOASA-N 1 1 489.068 2.515 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001291834203 1064408754 /nfs/dbraw/zinc/40/87/54/1064408754.db2.gz VBXOHFZCNJEKDN-RBUKOAKNSA-N 1 1 489.068 2.515 20 0 JFADMO CCn1nc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296214667 1064413406 /nfs/dbraw/zinc/41/34/06/1064413406.db2.gz NUBBQCPRNKIGKB-LJQANCHMSA-N 1 1 467.618 2.878 20 0 JFADMO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291839863 1064434592 /nfs/dbraw/zinc/43/45/92/1064434592.db2.gz NTDZUXDZRHLELQ-CBGCIVQGSA-N 1 1 468.646 2.770 20 0 JFADMO CCn1nc(-c2nnc(N3CCC(C)=C(C)C3)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296219836 1064434645 /nfs/dbraw/zinc/43/46/45/1064434645.db2.gz OKNAQDQVUOOULG-UHFFFAOYSA-N 1 1 465.602 2.800 20 0 JFADMO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291845678 1064452461 /nfs/dbraw/zinc/45/24/61/1064452461.db2.gz CHXNCIDIFDMIMB-FDDCHVKYSA-N 1 1 458.010 2.910 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC001291846336 1064453625 /nfs/dbraw/zinc/45/36/25/1064453625.db2.gz UZQQHPCVBVMABB-HSZRJFAPSA-N 1 1 468.646 2.989 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001291849825 1064455082 /nfs/dbraw/zinc/45/50/82/1064455082.db2.gz LPGJMQUTTQGCOR-JOCHJYFZSA-N 1 1 491.640 2.909 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(C(N)=O)nc1)c1ccccc1 ZINC001291849825 1064455092 /nfs/dbraw/zinc/45/50/92/1064455092.db2.gz LPGJMQUTTQGCOR-JOCHJYFZSA-N 1 1 491.640 2.909 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291862896 1064474316 /nfs/dbraw/zinc/47/43/16/1064474316.db2.gz MVRYBJSDBUPRAQ-TVZXLZGTSA-N 1 1 468.646 2.879 20 0 JFADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233086 1064474402 /nfs/dbraw/zinc/47/44/02/1064474402.db2.gz ZNRTWMQHJJJZRQ-LPDPUAGKSA-N 1 1 452.599 2.559 20 0 JFADMO CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864486 1064477737 /nfs/dbraw/zinc/47/77/37/1064477737.db2.gz GLVHKXLXUVVRGP-XUZZJYLKSA-N 1 1 481.689 2.938 20 0 JFADMO CC[C@H](c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291864502 1064478325 /nfs/dbraw/zinc/47/83/25/1064478325.db2.gz GVDMXOQMEASHIZ-WMZHIEFXSA-N 1 1 494.562 2.800 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291864503 1064478347 /nfs/dbraw/zinc/47/83/47/1064478347.db2.gz GVDMXOQMEASHIZ-XXBNENTESA-N 1 1 494.562 2.800 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](CCOCC)CC1 ZINC001296240752 1064491635 /nfs/dbraw/zinc/49/16/35/1064491635.db2.gz WWEYWZLGBBXMGB-UHFFFAOYSA-N 1 1 467.618 2.747 20 0 JFADMO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887958 1064510704 /nfs/dbraw/zinc/51/07/04/1064510704.db2.gz LPUFMWXBZWNMSW-ZRBLBEILSA-N 1 1 468.646 2.879 20 0 JFADMO CC[C@@H](c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890185 1064514952 /nfs/dbraw/zinc/51/49/52/1064514952.db2.gz VLYSRBBSOWUXQM-RUZDIDTESA-N 1 1 481.689 2.905 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291893367 1064521723 /nfs/dbraw/zinc/52/17/23/1064521723.db2.gz QYNBOMTWXMUKBZ-JOCHJYFZSA-N 1 1 464.618 2.747 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893514 1064522530 /nfs/dbraw/zinc/52/25/30/1064522530.db2.gz MHORVMPEYDYQDA-FGZHOGPDSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893514 1064522550 /nfs/dbraw/zinc/52/25/50/1064522550.db2.gz MHORVMPEYDYQDA-FGZHOGPDSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@@H](c1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291894890 1064525055 /nfs/dbraw/zinc/52/50/55/1064525055.db2.gz QZXGIEKEQOILOD-HSZRJFAPSA-N 1 1 492.672 2.971 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291895138 1064525930 /nfs/dbraw/zinc/52/59/30/1064525930.db2.gz SOYMZCVWDVEHNX-QHCPKHFHSA-N 1 1 489.686 2.803 20 0 JFADMO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC001291897040 1064527954 /nfs/dbraw/zinc/52/79/54/1064527954.db2.gz AFDUEPJPWBULKH-RJGXRXQPSA-N 1 1 454.619 2.646 20 0 JFADMO CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC001296264751 1064531146 /nfs/dbraw/zinc/53/11/46/1064531146.db2.gz LHAANKGXVICTKD-BGYRXZFFSA-N 1 1 486.636 2.860 20 0 JFADMO CCNC(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC001296264751 1064531157 /nfs/dbraw/zinc/53/11/57/1064531157.db2.gz LHAANKGXVICTKD-BGYRXZFFSA-N 1 1 486.636 2.860 20 0 JFADMO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1)SC ZINC001291902756 1064533556 /nfs/dbraw/zinc/53/35/56/1064533556.db2.gz ACCDHMVQRKKFSF-SFHVURJKSA-N 1 1 452.669 2.593 20 0 JFADMO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904477 1064535037 /nfs/dbraw/zinc/53/50/37/1064535037.db2.gz PRMZDBDXYXLHRG-KAMZKSLDSA-N 1 1 482.673 2.970 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC001296270111 1064538043 /nfs/dbraw/zinc/53/80/43/1064538043.db2.gz KZJUPZVGYHDCOL-AVRDEDQJSA-N 1 1 481.645 2.667 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC001296273769 1064542982 /nfs/dbraw/zinc/54/29/82/1064542982.db2.gz OWBHSNACMKUVSH-SIKLNZKXSA-N 1 1 468.646 2.822 20 0 JFADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001291927654 1064546875 /nfs/dbraw/zinc/54/68/75/1064546875.db2.gz AJPQXNLJMJJMBF-HXUWFJFHSA-N 1 1 451.523 2.899 20 0 JFADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001291927654 1064546888 /nfs/dbraw/zinc/54/68/88/1064546888.db2.gz AJPQXNLJMJJMBF-HXUWFJFHSA-N 1 1 451.523 2.899 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC001296277737 1064547620 /nfs/dbraw/zinc/54/76/20/1064547620.db2.gz JPFMQSLETJNKQK-GCJKJVERSA-N 1 1 481.645 2.667 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001296279365 1064549271 /nfs/dbraw/zinc/54/92/71/1064549271.db2.gz FAQNRFBSAORGJE-BGYRXZFFSA-N 1 1 477.613 2.684 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001296279365 1064549289 /nfs/dbraw/zinc/54/92/89/1064549289.db2.gz FAQNRFBSAORGJE-BGYRXZFFSA-N 1 1 477.613 2.684 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001296279594 1064549799 /nfs/dbraw/zinc/54/97/99/1064549799.db2.gz JLEVDUSMMJNTET-GOSISDBHSA-N 1 1 466.586 2.801 20 0 JFADMO CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)SC ZINC001291933268 1064551954 /nfs/dbraw/zinc/55/19/54/1064551954.db2.gz GFFJFFHQHOWGPM-NRFANRHFSA-N 1 1 485.702 2.929 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001296281834 1064553178 /nfs/dbraw/zinc/55/31/78/1064553178.db2.gz NFBYAZNVZNARCY-SFHVURJKSA-N 1 1 495.653 2.598 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001296283129 1064555179 /nfs/dbraw/zinc/55/51/79/1064555179.db2.gz KMEXFANSDZHJRJ-UGKGYDQZSA-N 1 1 487.718 2.978 20 0 JFADMO CCC(CC)(Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291941062 1064557122 /nfs/dbraw/zinc/55/71/22/1064557122.db2.gz MQEVACXTFQCHMR-ZCYQVOJMSA-N 1 1 479.666 2.825 20 0 JFADMO CCC(CC)(Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291941610 1064557452 /nfs/dbraw/zinc/55/74/52/1064557452.db2.gz TZFLHEHPEKXMNP-BKSPAHHJSA-N 1 1 479.666 2.681 20 0 JFADMO CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)SC ZINC001291942571 1064559278 /nfs/dbraw/zinc/55/92/78/1064559278.db2.gz GEMRVIXLUVYNAT-QFIPXVFZSA-N 1 1 464.680 2.623 20 0 JFADMO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001291945579 1064560334 /nfs/dbraw/zinc/56/03/34/1064560334.db2.gz MIPQXQPCXAXSDN-JQVVWYNYSA-N 1 1 459.612 2.643 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291953785 1064566652 /nfs/dbraw/zinc/56/66/52/1064566652.db2.gz QWBSLLHMFFNRRF-SVFBPWRDSA-N 1 1 478.707 2.981 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291954932 1064568959 /nfs/dbraw/zinc/56/89/59/1064568959.db2.gz WGZDKPIBHCPZFB-FCHUYYIVSA-N 1 1 490.693 2.902 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296307102 1064587085 /nfs/dbraw/zinc/58/70/85/1064587085.db2.gz ASCVJRYSRZQKPO-INIZCTEOSA-N 1 1 496.443 2.824 20 0 JFADMO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)on1 ZINC001291976759 1064592876 /nfs/dbraw/zinc/59/28/76/1064592876.db2.gz IUCLTKLRDMJNGY-SOLBZPMBSA-N 1 1 479.651 2.501 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2CCn2cc[nH+]c2C)CC1 ZINC001296312770 1064592983 /nfs/dbraw/zinc/59/29/83/1064592983.db2.gz YXVSSYQKPWRDEM-UHFFFAOYSA-N 1 1 487.406 2.764 20 0 JFADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315558 1064594729 /nfs/dbraw/zinc/59/47/29/1064594729.db2.gz RYWRIAZPAULNIR-WOJBJXKFSA-N 1 1 461.655 2.534 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@]3(O)CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001291988727 1064603223 /nfs/dbraw/zinc/60/32/23/1064603223.db2.gz AFBWZXUTGQCRAP-KYTVRQNUSA-N 1 1 451.567 2.902 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@]3(O)CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001291988714 1064603310 /nfs/dbraw/zinc/60/33/10/1064603310.db2.gz AFBWZXUTGQCRAP-BVFVYWQFSA-N 1 1 451.567 2.902 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291993359 1064608977 /nfs/dbraw/zinc/60/89/77/1064608977.db2.gz GWDLWEPNXASANP-ROUUACIJSA-N 1 1 458.655 2.995 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291996206 1064613037 /nfs/dbraw/zinc/61/30/37/1064613037.db2.gz YCUNLMPBUPGETN-FQEVSTJZSA-N 1 1 499.479 2.724 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001291998425 1064616284 /nfs/dbraw/zinc/61/62/84/1064616284.db2.gz BDVZTPINXGEFMJ-QGZVFWFLSA-N 1 1 453.595 2.508 20 0 JFADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001296327834 1064622198 /nfs/dbraw/zinc/62/21/98/1064622198.db2.gz ZHHUWLKDOKKVDE-SFTDATJTSA-N 1 1 460.648 2.584 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC12CCOCC2 ZINC001292008577 1064630350 /nfs/dbraw/zinc/63/03/50/1064630350.db2.gz NVICLLNDCMIBLJ-ZCNNSNEGSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC12CCOCC2 ZINC001292008577 1064630355 /nfs/dbraw/zinc/63/03/55/1064630355.db2.gz NVICLLNDCMIBLJ-ZCNNSNEGSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCCC[NH+]1CCOCC1 ZINC001292014110 1064643776 /nfs/dbraw/zinc/64/37/76/1064643776.db2.gz PDPUXEYQZWAEJY-UHFFFAOYSA-N 1 1 464.655 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657717 /nfs/dbraw/zinc/65/77/17/1064657717.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657722 /nfs/dbraw/zinc/65/77/22/1064657722.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 1 1 477.698 2.615 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001292029778 1064683909 /nfs/dbraw/zinc/68/39/09/1064683909.db2.gz GCFMJMQJNZKUFM-MAUKXSAKSA-N 1 1 493.454 2.529 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cc(C)cc(OC)c1 ZINC001292041670 1064706410 /nfs/dbraw/zinc/70/64/10/1064706410.db2.gz NUQUTLKZFFXVIN-AREMUKBSSA-N 1 1 484.645 2.863 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[C@H]1C[C@H](F)C1 ZINC001292042608 1064708006 /nfs/dbraw/zinc/70/80/06/1064708006.db2.gz UJQCHIVIRNZAHO-PMAPCBKXSA-N 1 1 450.603 2.636 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001292046390 1064710711 /nfs/dbraw/zinc/71/07/11/1064710711.db2.gz SVNHLHGUPNHGPX-IEXUWNMDSA-N 1 1 498.672 2.673 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001292051360 1064716290 /nfs/dbraw/zinc/71/62/90/1064716290.db2.gz XGBVOKLEYARVPM-KBMIEXCESA-N 1 1 454.619 2.565 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292054864 1064722424 /nfs/dbraw/zinc/72/24/24/1064722424.db2.gz LDMGUPPFGFZJQY-VQTJNVASSA-N 1 1 485.681 2.825 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001292062993 1064735118 /nfs/dbraw/zinc/73/51/18/1064735118.db2.gz KGMBYSSXSOKXCK-HKUYNNGSSA-N 1 1 489.665 2.784 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292066077 1064743351 /nfs/dbraw/zinc/74/33/51/1064743351.db2.gz JIVVMJWRBNQYIM-CJAUYULYSA-N 1 1 472.609 2.918 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292066075 1064743398 /nfs/dbraw/zinc/74/33/98/1064743398.db2.gz JIVVMJWRBNQYIM-BVZFJXPGSA-N 1 1 472.609 2.918 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292076182 1064756851 /nfs/dbraw/zinc/75/68/51/1064756851.db2.gz LWKYKLNSGIDEFP-CEYNDMKZSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292076182 1064756863 /nfs/dbraw/zinc/75/68/63/1064756863.db2.gz LWKYKLNSGIDEFP-CEYNDMKZSA-N 1 1 476.666 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078154 1064760306 /nfs/dbraw/zinc/76/03/06/1064760306.db2.gz CMEQTIBBSVBKLT-RXVVDRJESA-N 1 1 487.693 2.954 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292093047 1064781678 /nfs/dbraw/zinc/78/16/78/1064781678.db2.gz DDXQGLMSYHMSDN-RTWAWAEBSA-N 1 1 485.681 2.663 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[C@H]3CCOC3)C2)n1CC[NH+]1CCSCC1 ZINC001292094754 1064785542 /nfs/dbraw/zinc/78/55/42/1064785542.db2.gz PFLPYOYOGCIPOM-VQTJNVASSA-N 1 1 478.707 2.888 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292097833 1064788815 /nfs/dbraw/zinc/78/88/15/1064788815.db2.gz UENBSXBNGCXMFT-HXUWFJFHSA-N 1 1 468.650 2.793 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292099322 1064789620 /nfs/dbraw/zinc/78/96/20/1064789620.db2.gz AVYPNRWMJJUETF-MSOLQXFVSA-N 1 1 469.594 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001292105446 1064797816 /nfs/dbraw/zinc/79/78/16/1064797816.db2.gz KNUQIMNDOUNSOS-HXUWFJFHSA-N 1 1 473.666 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC1(CC)CC1 ZINC001292105981 1064801724 /nfs/dbraw/zinc/80/17/24/1064801724.db2.gz QSNZLKHIZCBMIE-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC1(CC)CC1 ZINC001292105981 1064801733 /nfs/dbraw/zinc/80/17/33/1064801733.db2.gz QSNZLKHIZCBMIE-UHFFFAOYSA-N 1 1 473.666 2.521 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001292106150 1064801759 /nfs/dbraw/zinc/80/17/59/1064801759.db2.gz SUEUFKKURNIWRV-UHFFFAOYSA-N 1 1 484.711 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccnc1-n1cccn1 ZINC001292106466 1064804354 /nfs/dbraw/zinc/80/43/54/1064804354.db2.gz XQENIJCQWCTOLK-UHFFFAOYSA-N 1 1 479.633 2.746 20 0 JFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108509 1064805548 /nfs/dbraw/zinc/80/55/48/1064805548.db2.gz HJIUJDOKUANYCL-GIVPXCGWSA-N 1 1 458.603 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001292110687 1064816206 /nfs/dbraw/zinc/81/62/06/1064816206.db2.gz MFFHIRIIDSGAIJ-FQEVSTJZSA-N 1 1 481.645 2.643 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001292110690 1064816635 /nfs/dbraw/zinc/81/66/35/1064816635.db2.gz MFFHIRIIDSGAIJ-HXUWFJFHSA-N 1 1 481.645 2.643 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@H]1COCCO1 ZINC001292114539 1064828804 /nfs/dbraw/zinc/82/88/04/1064828804.db2.gz BUEWDIJXIJOTMI-PXNSSMCTSA-N 1 1 476.647 2.557 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1CCCn1cc[nH+]c1C ZINC001292116606 1064839091 /nfs/dbraw/zinc/83/90/91/1064839091.db2.gz SCRATGJYTRAKRK-UHFFFAOYSA-N 1 1 465.606 2.513 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001292121559 1064850431 /nfs/dbraw/zinc/85/04/31/1064850431.db2.gz ABTUCHIPRXXMAO-FQEVSTJZSA-N 1 1 497.692 2.886 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)c2C(F)F)CC1 ZINC001292121787 1064853621 /nfs/dbraw/zinc/85/36/21/1064853621.db2.gz JWDQXIYTUCGIJG-ZDUSSCGKSA-N 1 1 454.522 2.754 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H]1CSCCS1 ZINC001292132145 1064884498 /nfs/dbraw/zinc/88/44/98/1064884498.db2.gz DVXVBKMDMFMJFT-ROUUACIJSA-N 1 1 452.694 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCCc1ccccc1 ZINC001292132371 1064885709 /nfs/dbraw/zinc/88/57/09/1064885709.db2.gz APRVRYFEFNBVEW-JOCHJYFZSA-N 1 1 454.619 2.740 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCCc1ccccc1 ZINC001292132371 1064885714 /nfs/dbraw/zinc/88/57/14/1064885714.db2.gz APRVRYFEFNBVEW-JOCHJYFZSA-N 1 1 454.619 2.740 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC(=O)Nc1ccccc1 ZINC001292134037 1064890645 /nfs/dbraw/zinc/89/06/45/1064890645.db2.gz OOMFTNZMEWIZQF-OAQYLSRUSA-N 1 1 467.618 2.900 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001292134068 1064891418 /nfs/dbraw/zinc/89/14/18/1064891418.db2.gz PIGAAULBQXAWPW-GMWXTNTRSA-N 1 1 486.686 2.798 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCSc1ccccc1 ZINC001292134448 1064894065 /nfs/dbraw/zinc/89/40/65/1064894065.db2.gz VJXADRZQYGHJJX-IBGZPJMESA-N 1 1 458.632 2.510 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCSc1ccccc1 ZINC001292134448 1064894073 /nfs/dbraw/zinc/89/40/73/1064894073.db2.gz VJXADRZQYGHJJX-IBGZPJMESA-N 1 1 458.632 2.510 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292134694 1064895431 /nfs/dbraw/zinc/89/54/31/1064895431.db2.gz VBPYQBBRHNXHCA-NSHGMRRFSA-N 1 1 489.665 2.594 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292143119 1064910813 /nfs/dbraw/zinc/91/08/13/1064910813.db2.gz AOJWQERPDIRPCO-OALUTQOASA-N 1 1 488.637 2.586 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CC)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001292144461 1064915336 /nfs/dbraw/zinc/91/53/36/1064915336.db2.gz MLRIDOQUJRTAFJ-JOCHJYFZSA-N 1 1 454.619 2.870 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292150937 1064928792 /nfs/dbraw/zinc/92/87/92/1064928792.db2.gz HMFVTRXIQHPWEB-IEBWSBKVSA-N 1 1 477.654 2.642 20 0 JFADMO O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC001292156932 1064938137 /nfs/dbraw/zinc/93/81/37/1064938137.db2.gz WLHPLECQGDZVQE-HXUWFJFHSA-N 1 1 459.974 2.908 20 0 JFADMO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)Oc1ccccc1F ZINC001292160615 1064943001 /nfs/dbraw/zinc/94/30/01/1064943001.db2.gz RJCUMTNHSSCDJW-UXHICEINSA-N 1 1 488.608 2.668 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292176170 1064966276 /nfs/dbraw/zinc/96/62/76/1064966276.db2.gz WZGAUOSBLHQBCI-DBXWQHBBSA-N 1 1 460.648 2.714 20 0 JFADMO CC[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292199775 1064990984 /nfs/dbraw/zinc/99/09/84/1064990984.db2.gz OPZDNQFPGUVWTD-DFBJGRDBSA-N 1 1 485.633 2.944 20 0 JFADMO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H](C)C(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292199746 1064991046 /nfs/dbraw/zinc/99/10/46/1064991046.db2.gz QBZICEBNGLRNCX-CVDCTZTESA-N 1 1 461.614 2.995 20 0 JFADMO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H](C)C(=O)NC)[N@H+]1CCc2ccccc2C1 ZINC001292199747 1064991070 /nfs/dbraw/zinc/99/10/70/1064991070.db2.gz QBZICEBNGLRNCX-WMZHIEFXSA-N 1 1 461.614 2.995 20 0 JFADMO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC001292225868 1065013336 /nfs/dbraw/zinc/01/33/36/1065013336.db2.gz QEPHBDSIUBAGEG-BHDDXSALSA-N 1 1 475.659 2.564 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001292229295 1065016595 /nfs/dbraw/zinc/01/65/95/1065016595.db2.gz FFBSCACQLPBFJD-LEWJYISDSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001292229295 1065016607 /nfs/dbraw/zinc/01/66/07/1065016607.db2.gz FFBSCACQLPBFJD-LEWJYISDSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001292229298 1065016647 /nfs/dbraw/zinc/01/66/47/1065016647.db2.gz FFBSCACQLPBFJD-SFTDATJTSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001292229298 1065016661 /nfs/dbraw/zinc/01/66/61/1065016661.db2.gz FFBSCACQLPBFJD-SFTDATJTSA-N 1 1 488.608 2.832 20 0 JFADMO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001292229796 1065016945 /nfs/dbraw/zinc/01/69/45/1065016945.db2.gz HOJFOSVUIISZTQ-DNQXCXABSA-N 1 1 468.646 2.655 20 0 JFADMO CC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)C)CC1)OC ZINC001292242384 1065024879 /nfs/dbraw/zinc/02/48/79/1065024879.db2.gz JWFRYEKMMDKTNO-VWLOTQADSA-N 1 1 483.705 2.988 20 0 JFADMO CC[C@@H](Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001292242384 1065024892 /nfs/dbraw/zinc/02/48/92/1065024892.db2.gz JWFRYEKMMDKTNO-VWLOTQADSA-N 1 1 483.705 2.988 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC001292248763 1065031508 /nfs/dbraw/zinc/03/15/08/1065031508.db2.gz PRXHQLSDSYXQFE-QGZVFWFLSA-N 1 1 452.546 2.850 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001292264481 1065044302 /nfs/dbraw/zinc/04/43/02/1065044302.db2.gz QXGGOPNQDWKAJS-FGZHOGPDSA-N 1 1 475.659 2.837 20 0 JFADMO CC[C@H](Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001292264481 1065044312 /nfs/dbraw/zinc/04/43/12/1065044312.db2.gz QXGGOPNQDWKAJS-FGZHOGPDSA-N 1 1 475.659 2.837 20 0 JFADMO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001292271651 1065048782 /nfs/dbraw/zinc/04/87/82/1065048782.db2.gz GEXDNRIIHPQTRR-MJGOQNOKSA-N 1 1 461.632 2.573 20 0 JFADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC001292304935 1065075312 /nfs/dbraw/zinc/07/53/12/1065075312.db2.gz OGDBIVIOSNNDTQ-WZOHSFFVSA-N 1 1 460.667 2.957 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001292325712 1065085921 /nfs/dbraw/zinc/08/59/21/1065085921.db2.gz JKFXTPOKICGUFT-MSOLQXFVSA-N 1 1 458.525 2.765 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292355693 1065099802 /nfs/dbraw/zinc/09/98/02/1065099802.db2.gz KTUXFWKAYSJCKB-NVQXNPDNSA-N 1 1 484.645 2.902 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292355692 1065099826 /nfs/dbraw/zinc/09/98/26/1065099826.db2.gz KTUXFWKAYSJCKB-GJZUVCINSA-N 1 1 484.645 2.902 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001292364702 1065105561 /nfs/dbraw/zinc/10/55/61/1065105561.db2.gz LTJLTDYMRMPMJJ-REWPJTCUSA-N 1 1 462.664 2.876 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001292364701 1065105590 /nfs/dbraw/zinc/10/55/90/1065105590.db2.gz LTJLTDYMRMPMJJ-OFNKIYASSA-N 1 1 462.664 2.876 20 0 JFADMO CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCOCC2)CCS1 ZINC001292393217 1065131681 /nfs/dbraw/zinc/13/16/81/1065131681.db2.gz BVFHNVMHXDUPAO-UHFFFAOYSA-N 1 1 473.647 2.760 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(CC)c2)[NH+](C)C)cc1 ZINC001292459157 1065184226 /nfs/dbraw/zinc/18/42/26/1065184226.db2.gz CBONVTDUUZZTDP-PKTZIBPZSA-N 1 1 499.685 2.898 20 0 JFADMO CCc1ccc([C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(CC)c2)[NH+](C)C)cc1 ZINC001292459158 1065184284 /nfs/dbraw/zinc/18/42/84/1065184284.db2.gz CBONVTDUUZZTDP-XZOQPEGZSA-N 1 1 499.685 2.898 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](CC)C2)[NH+](C)C)cc1 ZINC001292462406 1065191550 /nfs/dbraw/zinc/19/15/50/1065191550.db2.gz SERFLUHSRZXTNX-FKBYEOEOSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001292475464 1065200228 /nfs/dbraw/zinc/20/02/28/1065200228.db2.gz VRBBIIWJXXDKDQ-FQEVSTJZSA-N 1 1 462.664 2.613 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292479478 1065203590 /nfs/dbraw/zinc/20/35/90/1065203590.db2.gz NPIAIBZYIJJMFW-KNQAVFIVSA-N 1 1 468.646 2.827 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479740 1065203734 /nfs/dbraw/zinc/20/37/34/1065203734.db2.gz TUJZQIJOTOBXCQ-WMZHIEFXSA-N 1 1 468.646 2.657 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([N@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CCOC)cc1 ZINC001292479774 1065204297 /nfs/dbraw/zinc/20/42/97/1065204297.db2.gz UOWAIVUEKAEJDE-CVDCTZTESA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)NCCOC)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001292483949 1065205609 /nfs/dbraw/zinc/20/56/09/1065205609.db2.gz FPFAEHKPVISVAD-HXUWFJFHSA-N 1 1 468.646 2.971 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292488551 1065209705 /nfs/dbraw/zinc/20/97/05/1065209705.db2.gz NLFGHQAJUDOFQL-UEXGIBASSA-N 1 1 454.619 2.707 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292507164 1065224589 /nfs/dbraw/zinc/22/45/89/1065224589.db2.gz IVUKNNNTRXGTFO-QPPBQGQZSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001292508235 1065226245 /nfs/dbraw/zinc/22/62/45/1065226245.db2.gz YPVUNTIQCQLLCK-NFBKMPQASA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001292508237 1065226358 /nfs/dbraw/zinc/22/63/58/1065226358.db2.gz YPVUNTIQCQLLCK-OFNKIYASSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001292512971 1065231654 /nfs/dbraw/zinc/23/16/54/1065231654.db2.gz YWXBLSAGIYDASM-HSZRJFAPSA-N 1 1 495.672 2.509 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2C[C@H](CC)OC)cc1 ZINC001292513780 1065234500 /nfs/dbraw/zinc/23/45/00/1065234500.db2.gz NKEUQCILOCOIKB-FCHUYYIVSA-N 1 1 454.619 2.675 20 0 JFADMO O=C(c1c(F)ccc(I)c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001292515686 1065236927 /nfs/dbraw/zinc/23/69/27/1065236927.db2.gz UQJAGDYZAIQPIW-OLZOCXBDSA-N 1 1 452.695 2.755 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001292516466 1065237526 /nfs/dbraw/zinc/23/75/26/1065237526.db2.gz SRQVHZLSGSCTNH-PKTZIBPZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001292517595 1065239400 /nfs/dbraw/zinc/23/94/00/1065239400.db2.gz FGUDMEYPQVSOJZ-HXUWFJFHSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001292517595 1065239415 /nfs/dbraw/zinc/23/94/15/1065239415.db2.gz FGUDMEYPQVSOJZ-HXUWFJFHSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC001292518158 1065241391 /nfs/dbraw/zinc/24/13/91/1065241391.db2.gz OBBNZVDKLDWICR-GMAHTHKFSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001292519062 1065244088 /nfs/dbraw/zinc/24/40/88/1065244088.db2.gz UHDGDXGNFHQKTO-LJQANCHMSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001292519062 1065244100 /nfs/dbraw/zinc/24/41/00/1065244100.db2.gz UHDGDXGNFHQKTO-LJQANCHMSA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245531 /nfs/dbraw/zinc/24/55/31/1065245531.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 1 1 470.662 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292520466 1065245967 /nfs/dbraw/zinc/24/59/67/1065245967.db2.gz KFLXTPCALXDMDU-PXDATVDWSA-N 1 1 454.619 2.533 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCC(=O)N(C)C)cc1 ZINC001292520682 1065246011 /nfs/dbraw/zinc/24/60/11/1065246011.db2.gz QYAOYDXKDGTQLJ-UHFFFAOYSA-N 1 1 478.645 2.658 20 0 JFADMO C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521207 1065247393 /nfs/dbraw/zinc/24/73/93/1065247393.db2.gz DGUAEBSYJNCUNR-DZFGPLHGSA-N 1 1 458.603 2.829 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524090 1065248680 /nfs/dbraw/zinc/24/86/80/1065248680.db2.gz AMEHTSZTIATVDH-KNQAVFIVSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001292524944 1065250421 /nfs/dbraw/zinc/25/04/21/1065250421.db2.gz AKODPTAMTVXOPU-DHIUTWEWSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@H+](CC)CCC(F)(F)F)cc1 ZINC001292525035 1065250849 /nfs/dbraw/zinc/25/08/49/1065250849.db2.gz OMZJLWANBKZACH-LJQANCHMSA-N 1 1 479.551 2.996 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCC[N@@H+](C)CCOC)cc1 ZINC001292528147 1065254194 /nfs/dbraw/zinc/25/41/94/1065254194.db2.gz PMFOBHFKYGTWOY-CPJSRVTESA-N 1 1 457.619 2.860 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001292534964 1065258057 /nfs/dbraw/zinc/25/80/57/1065258057.db2.gz RCWSVDJFDBKVMY-RJGXRXQPSA-N 1 1 457.619 2.714 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1(F)F ZINC001292585132 1065300773 /nfs/dbraw/zinc/30/07/73/1065300773.db2.gz RCUQXLAAGIILCL-DNVCBOLYSA-N 1 1 479.528 2.782 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cnn(C)c1 ZINC001292587508 1065302832 /nfs/dbraw/zinc/30/28/32/1065302832.db2.gz SLQKEORIKNKGEL-BGYRXZFFSA-N 1 1 467.618 2.747 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cnn(C)c1 ZINC001292587508 1065302839 /nfs/dbraw/zinc/30/28/39/1065302839.db2.gz SLQKEORIKNKGEL-BGYRXZFFSA-N 1 1 467.618 2.747 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292589135 1065304611 /nfs/dbraw/zinc/30/46/11/1065304611.db2.gz HYTCXLKWHVCUKJ-FUPPJEDESA-N 1 1 498.672 2.976 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292589134 1065304676 /nfs/dbraw/zinc/30/46/76/1065304676.db2.gz HYTCXLKWHVCUKJ-FUDKSRODSA-N 1 1 498.672 2.976 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)COC ZINC001292610983 1065340509 /nfs/dbraw/zinc/34/05/09/1065340509.db2.gz ZEJNGWDBGOBJMB-JOCHJYFZSA-N 1 1 498.672 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@H+](C)[C@H](C)CC ZINC001292614170 1065342497 /nfs/dbraw/zinc/34/24/97/1065342497.db2.gz DASVBFJTTKXMTQ-CTNGQTDRSA-N 1 1 469.634 2.706 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001292614253 1065343208 /nfs/dbraw/zinc/34/32/08/1065343208.db2.gz FXPOOPOJOPZEJJ-QHCPKHFHSA-N 1 1 484.645 2.635 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292615048 1065346878 /nfs/dbraw/zinc/34/68/78/1065346878.db2.gz QRMPPRAVNCZTBH-QFIPXVFZSA-N 1 1 498.672 2.977 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616048 1065350033 /nfs/dbraw/zinc/35/00/33/1065350033.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 1 1 456.635 2.671 20 0 JFADMO CCc1nc(C)c(Cn2c(Cc3ccncc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)o1 ZINC001292691202 1065438101 /nfs/dbraw/zinc/43/81/01/1065438101.db2.gz MUQOHFPRSRVOQW-UHFFFAOYSA-N 1 1 467.618 2.966 20 0 JFADMO CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)no1 ZINC001292717746 1065473374 /nfs/dbraw/zinc/47/33/74/1065473374.db2.gz JNISKJXBRHFZRG-SFHVURJKSA-N 1 1 453.591 2.790 20 0 JFADMO CCc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)no1 ZINC001292721436 1065483644 /nfs/dbraw/zinc/48/36/44/1065483644.db2.gz SFDYCKFQGSGIKL-NNMXDRDESA-N 1 1 489.665 2.932 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001292736413 1065498211 /nfs/dbraw/zinc/49/82/11/1065498211.db2.gz CRDMWMDMUJNJFF-PXNSSMCTSA-N 1 1 478.663 2.768 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001292736413 1065498220 /nfs/dbraw/zinc/49/82/20/1065498220.db2.gz CRDMWMDMUJNJFF-PXNSSMCTSA-N 1 1 478.663 2.768 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001292780360 1065539651 /nfs/dbraw/zinc/53/96/51/1065539651.db2.gz BXRQUOGTLVXTNA-ZWKOTPCHSA-N 1 1 452.607 2.536 20 0 JFADMO CCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001292804026 1065561821 /nfs/dbraw/zinc/56/18/21/1065561821.db2.gz XGLMKCGSXANEKB-HBFSDRIKSA-N 1 1 463.648 2.944 20 0 JFADMO CCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001292813750 1065564167 /nfs/dbraw/zinc/56/41/67/1065564167.db2.gz PKCFNSHMFPXPFQ-FQEVSTJZSA-N 1 1 470.618 2.845 20 0 JFADMO Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)s1 ZINC001292841928 1065573788 /nfs/dbraw/zinc/57/37/88/1065573788.db2.gz RYDGGZNLYYBJPP-MRXNPFEDSA-N 1 1 451.643 2.969 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292875013 1065582174 /nfs/dbraw/zinc/58/21/74/1065582174.db2.gz USLPIVOQRSWONX-GOSISDBHSA-N 1 1 452.607 2.542 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892231 1065589827 /nfs/dbraw/zinc/58/98/27/1065589827.db2.gz BDFUZNJFXMCPNR-YKSBVNFPSA-N 1 1 498.672 2.869 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892896 1065591760 /nfs/dbraw/zinc/59/17/60/1065591760.db2.gz IRDKDPFEJXNHBG-YSIASYRMSA-N 1 1 450.697 2.997 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(OC)c(Cl)c1 ZINC001292893184 1065592449 /nfs/dbraw/zinc/59/24/49/1065592449.db2.gz LULHIZPFCHAJQP-JXFKEZNVSA-N 1 1 461.010 2.540 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893120 1065592621 /nfs/dbraw/zinc/59/26/21/1065592621.db2.gz LFWNMNDSNAAIBB-KNQAVFIVSA-N 1 1 454.619 2.585 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893415 1065593730 /nfs/dbraw/zinc/59/37/30/1065593730.db2.gz NQKZQAKGFPPPFG-SJLPKXTDSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001292893419 1065594124 /nfs/dbraw/zinc/59/41/24/1065594124.db2.gz NRQHIUQHEDEDEA-QFBILLFUSA-N 1 1 453.509 2.987 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893537 1065594765 /nfs/dbraw/zinc/59/47/65/1065594765.db2.gz PDQQFXBGXFRFIK-FXAWDEMLSA-N 1 1 494.562 2.819 20 0 JFADMO C[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001292920949 1065606485 /nfs/dbraw/zinc/60/64/85/1065606485.db2.gz SNHGVOUBBXCWDW-KRWDZBQOSA-N 1 1 454.537 2.506 20 0 JFADMO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292924223 1065614874 /nfs/dbraw/zinc/61/48/74/1065614874.db2.gz SXSVKHDEOSPHAB-NRFANRHFSA-N 1 1 473.710 2.589 20 0 JFADMO CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001292934488 1065624137 /nfs/dbraw/zinc/62/41/37/1065624137.db2.gz XYKPXLMXRQWUDL-AOJNWGRGSA-N 1 1 457.615 2.941 20 0 JFADMO CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943494 1065628398 /nfs/dbraw/zinc/62/83/98/1065628398.db2.gz OELZNXWKQBSLEG-FPOVZHCZSA-N 1 1 454.619 2.786 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292951616 1065631429 /nfs/dbraw/zinc/63/14/29/1065631429.db2.gz JYSGQYDPPJVDGW-UHFFFAOYSA-N 1 1 481.645 2.618 20 0 JFADMO CN1CC[NH+](C(C)(C)CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292955318 1065633961 /nfs/dbraw/zinc/63/39/61/1065633961.db2.gz IIRXUYDCAUAZFF-CAPFRKAQSA-N 1 1 451.600 2.542 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957741 1065635440 /nfs/dbraw/zinc/63/54/40/1065635440.db2.gz DNWVWSXGUGDAJC-FQEVSTJZSA-N 1 1 458.647 2.912 20 0 JFADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958746 1065636135 /nfs/dbraw/zinc/63/61/35/1065636135.db2.gz ORTGGUHRBYYUEO-DEOSSOPVSA-N 1 1 452.599 2.738 20 0 JFADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958746 1065636141 /nfs/dbraw/zinc/63/61/41/1065636141.db2.gz ORTGGUHRBYYUEO-DEOSSOPVSA-N 1 1 452.599 2.738 20 0 JFADMO COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1OC ZINC001292958256 1065636178 /nfs/dbraw/zinc/63/61/78/1065636178.db2.gz HVBMXDOBYZZDRS-UHFFFAOYSA-N 1 1 458.559 2.647 20 0 JFADMO COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC001292958256 1065636186 /nfs/dbraw/zinc/63/61/86/1065636186.db2.gz HVBMXDOBYZZDRS-UHFFFAOYSA-N 1 1 458.559 2.647 20 0 JFADMO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292960151 1065639486 /nfs/dbraw/zinc/63/94/86/1065639486.db2.gz RBTRSSWOEYMHQG-FQEVSTJZSA-N 1 1 477.698 2.950 20 0 JFADMO C[N@H+]1CCCN(CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001292968182 1065647423 /nfs/dbraw/zinc/64/74/23/1065647423.db2.gz LCBZFYWAMAEFSR-UHFFFAOYSA-N 1 1 454.537 2.701 20 0 JFADMO CN1CCC[N@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001292968182 1065647428 /nfs/dbraw/zinc/64/74/28/1065647428.db2.gz LCBZFYWAMAEFSR-UHFFFAOYSA-N 1 1 454.537 2.701 20 0 JFADMO CN1CCC[N@@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001292968182 1065647437 /nfs/dbraw/zinc/64/74/37/1065647437.db2.gz LCBZFYWAMAEFSR-UHFFFAOYSA-N 1 1 454.537 2.701 20 0 JFADMO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001292970316 1065650376 /nfs/dbraw/zinc/65/03/76/1065650376.db2.gz HIUNBYSMFUZSFP-IBGZPJMESA-N 1 1 462.664 2.611 20 0 JFADMO CCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978227 1065658352 /nfs/dbraw/zinc/65/83/52/1065658352.db2.gz DSDODQVEVMTJLG-LJQANCHMSA-N 1 1 478.588 2.909 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292978161 1065658842 /nfs/dbraw/zinc/65/88/42/1065658842.db2.gz PMMAIEWAXRVVHY-FQEVSTJZSA-N 1 1 474.675 2.846 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292978163 1065658923 /nfs/dbraw/zinc/65/89/23/1065658923.db2.gz PMMAIEWAXRVVHY-HXUWFJFHSA-N 1 1 474.675 2.846 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001292979951 1065662977 /nfs/dbraw/zinc/66/29/77/1065662977.db2.gz ITNJOVGEUIASHZ-UHFFFAOYSA-N 1 1 469.565 2.807 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292980652 1065663847 /nfs/dbraw/zinc/66/38/47/1065663847.db2.gz VOIVYQQXRDMJLI-UHFFFAOYSA-N 1 1 482.677 2.905 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292983454 1065666334 /nfs/dbraw/zinc/66/63/34/1065666334.db2.gz WKZQVHMBCNLXEO-QFIPXVFZSA-N 1 1 475.682 2.678 20 0 JFADMO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292991609 1065679348 /nfs/dbraw/zinc/67/93/48/1065679348.db2.gz QKWYHXSMMGAYDO-SFHVURJKSA-N 1 1 477.057 2.605 20 0 JFADMO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001292995920 1065684244 /nfs/dbraw/zinc/68/42/44/1065684244.db2.gz YDQOGWIRFIINQE-PZJWPPBQSA-N 1 1 454.619 2.612 20 0 JFADMO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001293003159 1065687836 /nfs/dbraw/zinc/68/78/36/1065687836.db2.gz ZQJGMVOJYGSKOQ-UHFFFAOYSA-N 1 1 455.628 2.903 20 0 JFADMO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293024214 1065696947 /nfs/dbraw/zinc/69/69/47/1065696947.db2.gz ZSECVNYCBDEUAY-HSALFYBXSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001293027333 1065699663 /nfs/dbraw/zinc/69/96/63/1065699663.db2.gz KUAMWICWYKFPGO-HXUWFJFHSA-N 1 1 488.702 2.785 20 0 JFADMO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001293030723 1065700961 /nfs/dbraw/zinc/70/09/61/1065700961.db2.gz WZGIGHMOYWHHAA-REWPJTCUSA-N 1 1 488.702 2.785 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031607 1065701384 /nfs/dbraw/zinc/70/13/84/1065701384.db2.gz DHEYZEBDKQLEMZ-JTHBVZDNSA-N 1 1 451.615 2.811 20 0 JFADMO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293035555 1065704061 /nfs/dbraw/zinc/70/40/61/1065704061.db2.gz NSAGEKOXFWGMCN-WOJBJXKFSA-N 1 1 491.681 2.619 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293039446 1065707174 /nfs/dbraw/zinc/70/71/74/1065707174.db2.gz BDVUQPKDBZPBBN-FGZHOGPDSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293039446 1065707188 /nfs/dbraw/zinc/70/71/88/1065707188.db2.gz BDVUQPKDBZPBBN-FGZHOGPDSA-N 1 1 468.646 2.873 20 0 JFADMO CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001293059867 1065714680 /nfs/dbraw/zinc/71/46/80/1065714680.db2.gz HUTANRVOPQDCHN-UGKGYDQZSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001293059867 1065714692 /nfs/dbraw/zinc/71/46/92/1065714692.db2.gz HUTANRVOPQDCHN-UGKGYDQZSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001293066476 1065718050 /nfs/dbraw/zinc/71/80/50/1065718050.db2.gz NBEBJWXLBCEHKP-UHFFFAOYSA-N 1 1 470.618 2.777 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc2c(c1)OC(C)(C)O2 ZINC001293066476 1065718067 /nfs/dbraw/zinc/71/80/67/1065718067.db2.gz NBEBJWXLBCEHKP-UHFFFAOYSA-N 1 1 470.618 2.777 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001293068721 1065721767 /nfs/dbraw/zinc/72/17/67/1065721767.db2.gz LGBBONFJQVNQIZ-UHFFFAOYSA-N 1 1 491.681 2.621 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001293068721 1065721774 /nfs/dbraw/zinc/72/17/74/1065721774.db2.gz LGBBONFJQVNQIZ-UHFFFAOYSA-N 1 1 491.681 2.621 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001293069112 1065722175 /nfs/dbraw/zinc/72/21/75/1065722175.db2.gz QIXWBOMVNTZWPU-NRFANRHFSA-N 1 1 462.589 2.909 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCOc1ccc(Cl)cc1 ZINC001293069024 1065722314 /nfs/dbraw/zinc/72/23/14/1065722314.db2.gz PMWXRCWHYQYUKJ-UHFFFAOYSA-N 1 1 463.026 2.953 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CCOc1ccc(Cl)cc1 ZINC001293069024 1065722322 /nfs/dbraw/zinc/72/23/22/1065722322.db2.gz PMWXRCWHYQYUKJ-UHFFFAOYSA-N 1 1 463.026 2.953 20 0 JFADMO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293089719 1065738960 /nfs/dbraw/zinc/73/89/60/1065738960.db2.gz QACJYYLXQIIVRJ-LJQANCHMSA-N 1 1 463.671 2.560 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001293094699 1065744157 /nfs/dbraw/zinc/74/41/57/1065744157.db2.gz NWSYPSURTGUKND-FCHUYYIVSA-N 1 1 473.710 2.922 20 0 JFADMO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293097281 1065747934 /nfs/dbraw/zinc/74/79/34/1065747934.db2.gz FLTZSFSWZDIQSZ-UHFFFAOYSA-N 1 1 473.641 2.588 20 0 JFADMO CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293103322 1065750707 /nfs/dbraw/zinc/75/07/07/1065750707.db2.gz FGZTXYOYFXVTPB-UHFFFAOYSA-N 1 1 458.582 2.620 20 0 JFADMO CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293103322 1065750716 /nfs/dbraw/zinc/75/07/16/1065750716.db2.gz FGZTXYOYFXVTPB-UHFFFAOYSA-N 1 1 458.582 2.620 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001293116245 1065762420 /nfs/dbraw/zinc/76/24/20/1065762420.db2.gz KFPWLFHNKCNQKC-QFIPXVFZSA-N 1 1 459.683 2.628 20 0 JFADMO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OC)c(OC)c1OC ZINC001293116066 1065762547 /nfs/dbraw/zinc/76/25/47/1065762547.db2.gz IYLHMXXQKUAVLS-GOSISDBHSA-N 1 1 473.618 2.799 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001293124552 1065777275 /nfs/dbraw/zinc/77/72/75/1065777275.db2.gz VMRKFZGHMQCKNV-UHFFFAOYSA-N 1 1 463.586 2.881 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001293129411 1065780063 /nfs/dbraw/zinc/78/00/63/1065780063.db2.gz YTTQHJLWRWIRIJ-SFHVURJKSA-N 1 1 454.591 2.580 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131343 1065783191 /nfs/dbraw/zinc/78/31/91/1065783191.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131343 1065783204 /nfs/dbraw/zinc/78/32/04/1065783204.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001293131359 1065783504 /nfs/dbraw/zinc/78/35/04/1065783504.db2.gz OUVHJXNXJBFMGU-YTFSRNRJSA-N 1 1 462.683 2.667 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131243 1065783543 /nfs/dbraw/zinc/78/35/43/1065783543.db2.gz NEKUPRDGODHMLK-QFIPXVFZSA-N 1 1 462.589 2.593 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293139412 1065790209 /nfs/dbraw/zinc/79/02/09/1065790209.db2.gz RPZXKEPDZJRNQF-SFHVURJKSA-N 1 1 495.719 2.771 20 0 JFADMO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001293178733 1065803473 /nfs/dbraw/zinc/80/34/73/1065803473.db2.gz XSMAGBRKMSRMAJ-VAMGGRTRSA-N 1 1 492.665 2.855 20 0 JFADMO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001293188706 1065813540 /nfs/dbraw/zinc/81/35/40/1065813540.db2.gz MXRKBYVYNBXRCK-JKSUJKDBSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001293188704 1065813628 /nfs/dbraw/zinc/81/36/28/1065813628.db2.gz MXRKBYVYNBXRCK-HOTGVXAUSA-N 1 1 452.563 2.751 20 0 JFADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210314 1065846074 /nfs/dbraw/zinc/84/60/74/1065846074.db2.gz BHXQKCOJUMCHMD-JXFKEZNVSA-N 1 1 453.414 2.883 20 0 JFADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210314 1065846086 /nfs/dbraw/zinc/84/60/86/1065846086.db2.gz BHXQKCOJUMCHMD-JXFKEZNVSA-N 1 1 453.414 2.883 20 0 JFADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210949 1065846522 /nfs/dbraw/zinc/84/65/22/1065846522.db2.gz KNJWXTFHJCAZSH-CBZJRKILSA-N 1 1 456.450 2.622 20 0 JFADMO CN1CCC([N@H+]2CC[C@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210949 1065846535 /nfs/dbraw/zinc/84/65/35/1065846535.db2.gz KNJWXTFHJCAZSH-CBZJRKILSA-N 1 1 456.450 2.622 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293214577 1065848141 /nfs/dbraw/zinc/84/81/41/1065848141.db2.gz ABMLLMORUNVGFE-DYESRHJHSA-N 1 1 467.618 2.594 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293214834 1065848716 /nfs/dbraw/zinc/84/87/16/1065848716.db2.gz CORIIPLHJXKRQL-CEWLAPEOSA-N 1 1 488.608 2.629 20 0 JFADMO Cc1c(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)sc2nc(C)nc(N)c12 ZINC001293215786 1065853379 /nfs/dbraw/zinc/85/33/79/1065853379.db2.gz WBGIYPKRJUHLOQ-QGZVFWFLSA-N 1 1 452.584 2.518 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001293216338 1065854773 /nfs/dbraw/zinc/85/47/73/1065854773.db2.gz HFRMPKJJQXIMDQ-IRLDBZIGSA-N 1 1 481.645 2.982 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001293219201 1065865583 /nfs/dbraw/zinc/86/55/83/1065865583.db2.gz UZCIVPPTMGWJAB-NQIIRXRSSA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001293219693 1065867090 /nfs/dbraw/zinc/86/70/90/1065867090.db2.gz OYHUEWQIBIPCBJ-QGZVFWFLSA-N 1 1 478.439 2.635 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001293219927 1065868272 /nfs/dbraw/zinc/86/82/72/1065868272.db2.gz XXQCRGAPAFEMMK-GXTWGEPZSA-N 1 1 467.437 2.967 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001293226532 1065878782 /nfs/dbraw/zinc/87/87/82/1065878782.db2.gz AUPJHMJVRIWZFB-VQTJNVASSA-N 1 1 470.618 2.940 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293250077 1065915171 /nfs/dbraw/zinc/91/51/71/1065915171.db2.gz FTGHBTREXHLSGL-VQTJNVASSA-N 1 1 454.623 2.578 20 0 JFADMO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CC[NH+](CC)CC1 ZINC001293253033 1065917259 /nfs/dbraw/zinc/91/72/59/1065917259.db2.gz SYQKSKMQUGIAGZ-RTWAWAEBSA-N 1 1 468.650 2.968 20 0 JFADMO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293255442 1065920091 /nfs/dbraw/zinc/92/00/91/1065920091.db2.gz UWFVFAXTXVHDCW-IBGZPJMESA-N 1 1 456.978 2.623 20 0 JFADMO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293255442 1065920099 /nfs/dbraw/zinc/92/00/99/1065920099.db2.gz UWFVFAXTXVHDCW-IBGZPJMESA-N 1 1 456.978 2.623 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293260700 1065923863 /nfs/dbraw/zinc/92/38/63/1065923863.db2.gz ZQUBBMRYYGAZOK-UAFMIMERSA-N 1 1 454.685 2.881 20 0 JFADMO O=C(CCCSc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001293284859 1065932962 /nfs/dbraw/zinc/93/29/62/1065932962.db2.gz ZJSXDWIAOBICLC-GOSISDBHSA-N 1 1 456.450 2.844 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001293298504 1065939298 /nfs/dbraw/zinc/93/92/98/1065939298.db2.gz QRRBQYPBJVYTOQ-CNNODRBYSA-N 1 1 474.675 2.962 20 0 JFADMO CCc1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CC[NH+](C)CC2)n1 ZINC001293325103 1065949392 /nfs/dbraw/zinc/94/93/92/1065949392.db2.gz NXOKXXXLBGHFTB-UHFFFAOYSA-N 1 1 459.616 2.679 20 0 JFADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293329583 1065951048 /nfs/dbraw/zinc/95/10/48/1065951048.db2.gz IGCQRBKACODTKG-CUUWFGFTSA-N 1 1 476.666 2.570 20 0 JFADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352622 1065961048 /nfs/dbraw/zinc/96/10/48/1065961048.db2.gz YBFSTDDQJIHYSB-MOPGFXCFSA-N 1 1 452.640 2.909 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001293359323 1065963841 /nfs/dbraw/zinc/96/38/41/1065963841.db2.gz MWFLJYMKKOPOBT-FQEVSTJZSA-N 1 1 496.660 2.885 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 ZINC001293361666 1065965478 /nfs/dbraw/zinc/96/54/78/1065965478.db2.gz AYSOAGNHNSJCAT-MRXNPFEDSA-N 1 1 464.412 2.627 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293362091 1065965938 /nfs/dbraw/zinc/96/59/38/1065965938.db2.gz CUSXBDQGEGQQGU-JQVVWYNYSA-N 1 1 470.684 2.548 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363047 1065966726 /nfs/dbraw/zinc/96/67/26/1065966726.db2.gz GNDXOVDKXBNWIV-RBUKOAKNSA-N 1 1 470.684 2.547 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363048 1065966762 /nfs/dbraw/zinc/96/67/62/1065966762.db2.gz GNDXOVDKXBNWIV-RTBURBONSA-N 1 1 470.684 2.547 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001293363786 1065967475 /nfs/dbraw/zinc/96/74/75/1065967475.db2.gz AFQWMNDJVDANCS-AKIFATBCSA-N 1 1 483.661 2.972 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001293363980 1065967873 /nfs/dbraw/zinc/96/78/73/1065967873.db2.gz LDNJEICTDNWCMX-NRFANRHFSA-N 1 1 471.650 2.758 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293365104 1065969819 /nfs/dbraw/zinc/96/98/19/1065969819.db2.gz JTABOKKVUOVGQA-RBUKOAKNSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001293365208 1065970086 /nfs/dbraw/zinc/97/00/86/1065970086.db2.gz SBTZZQOHDZEKEQ-VQTJNVASSA-N 1 1 461.010 2.814 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368943 1065971946 /nfs/dbraw/zinc/97/19/46/1065971946.db2.gz AIBPKJVNVRDKFI-SJORKVTESA-N 1 1 482.555 2.882 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001293366650 1065972045 /nfs/dbraw/zinc/97/20/45/1065972045.db2.gz XTONYMVKNMEVLH-FGZHOGPDSA-N 1 1 454.619 2.859 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369281 1065972608 /nfs/dbraw/zinc/97/26/08/1065972608.db2.gz CXVOWFSWVCCMMW-VQTJNVASSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 ZINC001293369567 1065973395 /nfs/dbraw/zinc/97/33/95/1065973395.db2.gz IELQRVUGWJPXOT-HBMCJLEFSA-N 1 1 482.695 2.502 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001293370372 1065973600 /nfs/dbraw/zinc/97/36/00/1065973600.db2.gz AWHROHCAJBHPNI-ORFBVSJDSA-N 1 1 473.666 2.549 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001293371317 1065974146 /nfs/dbraw/zinc/97/41/46/1065974146.db2.gz DWKNNJKLDKFXHF-FQEVSTJZSA-N 1 1 456.639 2.652 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373468 1065977553 /nfs/dbraw/zinc/97/75/53/1065977553.db2.gz QXWYEECKSIRLRW-QZTJIDSGSA-N 1 1 459.607 2.926 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001293373422 1065977602 /nfs/dbraw/zinc/97/76/02/1065977602.db2.gz PZLULYLXQBKZSH-ICSRJNTNSA-N 1 1 452.669 2.528 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001293373836 1065978918 /nfs/dbraw/zinc/97/89/18/1065978918.db2.gz RZDSIDBTYWITDO-AQNXPRMDSA-N 1 1 489.665 2.987 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293374256 1065980207 /nfs/dbraw/zinc/98/02/07/1065980207.db2.gz VKVJMSHHMTUBFV-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374647 1065980793 /nfs/dbraw/zinc/98/07/93/1065980793.db2.gz ZGFDCMPAWPAWMD-DHIUTWEWSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 ZINC001293379502 1065984152 /nfs/dbraw/zinc/98/41/52/1065984152.db2.gz QXJRSNOFRKKDRB-IBGZPJMESA-N 1 1 461.632 2.699 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293380073 1065984974 /nfs/dbraw/zinc/98/49/74/1065984974.db2.gz VRTRJCCBYSEUJJ-TZBSWOFLSA-N 1 1 476.666 2.688 20 0 JFADMO CC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001293388089 1065989273 /nfs/dbraw/zinc/98/92/73/1065989273.db2.gz YJJRSQNCKZNVPB-SJORKVTESA-N 1 1 466.677 2.635 20 0 JFADMO CC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001293388088 1065989410 /nfs/dbraw/zinc/98/94/10/1065989410.db2.gz YJJRSQNCKZNVPB-IRXDYDNUSA-N 1 1 466.677 2.635 20 0 JFADMO CCOc1ccc(-n2c(SCC(=O)N3CC[N@H+](C)[C@@H](C)C3)nnc2-c2cccnc2)cc1 ZINC001293396036 1065991106 /nfs/dbraw/zinc/99/11/06/1065991106.db2.gz IWYMEBLDHPADCR-KRWDZBQOSA-N 1 1 452.584 2.983 20 0 JFADMO CCOc1ccc(-n2c(SCC(=O)N3CC[N@@H+](C)[C@@H](C)C3)nnc2-c2cccnc2)cc1 ZINC001293396036 1065991118 /nfs/dbraw/zinc/99/11/18/1065991118.db2.gz IWYMEBLDHPADCR-KRWDZBQOSA-N 1 1 452.584 2.983 20 0 JFADMO C[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C1([NH+]2CCOCC2)CCCC1 ZINC001293420162 1066001908 /nfs/dbraw/zinc/00/19/08/1066001908.db2.gz PRSYQKNLYBSLNP-INIZCTEOSA-N 1 1 456.008 2.643 20 0 JFADMO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001293462351 1066015507 /nfs/dbraw/zinc/01/55/07/1066015507.db2.gz JVVKJERGVNATJH-FQEVSTJZSA-N 1 1 488.702 2.859 20 0 JFADMO CCC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCOC)CC1 ZINC001293486222 1066023756 /nfs/dbraw/zinc/02/37/56/1066023756.db2.gz XJQIWRUTBFKZLV-FQEVSTJZSA-N 1 1 480.654 2.791 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC[N@H+]1CCOC ZINC001293505197 1066028760 /nfs/dbraw/zinc/02/87/60/1066028760.db2.gz FMWHQMDZMQUGHO-SFHVURJKSA-N 1 1 479.000 2.902 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)s2)CC[N@H+]1CCOC ZINC001293505844 1066029170 /nfs/dbraw/zinc/02/91/70/1066029170.db2.gz JLGWMFKWZMMFCD-INIZCTEOSA-N 1 1 467.039 2.824 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC[N@H+]1CCOC ZINC001293506143 1066029730 /nfs/dbraw/zinc/02/97/30/1066029730.db2.gz BDKLMKBOERZXEQ-MOPGFXCFSA-N 1 1 464.680 2.593 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC001293507074 1066031057 /nfs/dbraw/zinc/03/10/57/1066031057.db2.gz RIJGHGDHTLHHKS-LJQANCHMSA-N 1 1 479.000 2.902 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@H+]1CCOC ZINC001293507257 1066031656 /nfs/dbraw/zinc/03/16/56/1066031656.db2.gz AGFWRDCWCNEDIA-UGKGYDQZSA-N 1 1 493.612 2.574 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC[N@H+]1CCOC ZINC001293508007 1066032356 /nfs/dbraw/zinc/03/23/56/1066032356.db2.gz UZCJIWREECMUNB-QFIPXVFZSA-N 1 1 486.686 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001293508575 1066032824 /nfs/dbraw/zinc/03/28/24/1066032824.db2.gz LBBPUIXJJPMVQI-DENIHFKCSA-N 1 1 488.608 2.572 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CCS1 ZINC001293509598 1066033936 /nfs/dbraw/zinc/03/39/36/1066033936.db2.gz MXGGDSSMSKIGIQ-LJQANCHMSA-N 1 1 464.680 2.783 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CC[N@H+]1CCOC ZINC001293510488 1066035557 /nfs/dbraw/zinc/03/55/57/1066035557.db2.gz OXYCEMQCWMFAFV-QGZVFWFLSA-N 1 1 455.588 2.582 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC001293510138 1066035589 /nfs/dbraw/zinc/03/55/89/1066035589.db2.gz QCTMWRMADSQFBL-LPHOPBHVSA-N 1 1 494.562 2.623 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC001293511365 1066037312 /nfs/dbraw/zinc/03/73/12/1066037312.db2.gz VUNBYIHAQXBXNV-SIKLNZKXSA-N 1 1 454.619 2.868 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293511408 1066037448 /nfs/dbraw/zinc/03/74/48/1066037448.db2.gz WJFHAMDSQTVPQZ-KNKQGSTJSA-N 1 1 472.609 2.906 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ncc(C)s2)C[C@@H]1[NH+]1CCOCC1 ZINC001293511700 1066037922 /nfs/dbraw/zinc/03/79/22/1066037922.db2.gz XQTYJZJDHRVRKA-QRQLOZEOSA-N 1 1 475.663 2.532 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001293511982 1066038177 /nfs/dbraw/zinc/03/81/77/1066038177.db2.gz YGBFLBCBXJTPOZ-KSZLIROESA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001293511982 1066038187 /nfs/dbraw/zinc/03/81/87/1066038187.db2.gz YGBFLBCBXJTPOZ-KSZLIROESA-N 1 1 452.669 2.636 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC(F)(F)C2(OC)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293516866 1066039904 /nfs/dbraw/zinc/03/99/04/1066039904.db2.gz CBJFWURSMABLIY-MOPGFXCFSA-N 1 1 485.620 2.954 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC[N@H+]1CCOC ZINC001293518566 1066040950 /nfs/dbraw/zinc/04/09/50/1066040950.db2.gz HFLWOXXMIBFQLU-HXUWFJFHSA-N 1 1 452.607 2.752 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC(=O)N(C)C2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293520708 1066042566 /nfs/dbraw/zinc/04/25/66/1066042566.db2.gz ZLVGJRPYOISFDO-PZJWPPBQSA-N 1 1 460.667 2.914 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC(F)(F)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293529308 1066048787 /nfs/dbraw/zinc/04/87/87/1066048787.db2.gz IGZSSYMJJHVXKZ-MTQWCTHYSA-N 1 1 471.593 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001293530045 1066049406 /nfs/dbraw/zinc/04/94/06/1066049406.db2.gz CNFLGUVNSWKAOK-FFHOAYQKSA-N 1 1 479.666 2.681 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293540122 1066059271 /nfs/dbraw/zinc/05/92/71/1066059271.db2.gz LXEXICBVLCOJCF-KCZVDYSFSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001293551045 1066066808 /nfs/dbraw/zinc/06/68/08/1066066808.db2.gz DPNAVIYMHAKLAY-LEWJYISDSA-N 1 1 464.010 2.951 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001293560322 1066074610 /nfs/dbraw/zinc/07/46/10/1066074610.db2.gz JEIJEMKZENBGDH-RPWUZVMVSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)CC[N@H+]1CCOC ZINC001293560322 1066074620 /nfs/dbraw/zinc/07/46/20/1066074620.db2.gz JEIJEMKZENBGDH-RPWUZVMVSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC[N@@H+]1CCOC ZINC001293560317 1066074682 /nfs/dbraw/zinc/07/46/82/1066074682.db2.gz JEIJEMKZENBGDH-BJKOFHAPSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)CC[N@H+]1CCOC ZINC001293560317 1066074691 /nfs/dbraw/zinc/07/46/91/1066074691.db2.gz JEIJEMKZENBGDH-BJKOFHAPSA-N 1 1 470.662 2.849 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293562579 1066075728 /nfs/dbraw/zinc/07/57/28/1066075728.db2.gz VFGWTTFEQOXRRS-QPPBQGQZSA-N 1 1 458.676 2.929 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3)n2CCCNC(=O)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293562808 1066076348 /nfs/dbraw/zinc/07/63/48/1066076348.db2.gz VSPQJGJPDNSLJT-UNMCSNQZSA-N 1 1 454.619 2.654 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293565427 1066077303 /nfs/dbraw/zinc/07/73/03/1066077303.db2.gz MKAQYHLSOQDWKI-GHTZIAJQSA-N 1 1 464.010 2.809 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN(C)CC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293566128 1066078712 /nfs/dbraw/zinc/07/87/12/1066078712.db2.gz CHRJVIFQOUWUQO-UYAOXDASSA-N 1 1 496.578 2.995 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCOC)CC[N@H+]1CCOC ZINC001293566353 1066079376 /nfs/dbraw/zinc/07/93/76/1066079376.db2.gz SBMBLLUZJOWBMR-INIZCTEOSA-N 1 1 452.397 2.901 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCN2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293566937 1066080101 /nfs/dbraw/zinc/08/01/01/1066080101.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 1 1 470.662 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2ccco2)CC[N@H+]1CCOC ZINC001293568497 1066080954 /nfs/dbraw/zinc/08/09/54/1066080954.db2.gz QCJLMEOHPSVEAB-GOSISDBHSA-N 1 1 470.549 2.654 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C2CCCCC2)CC[N@H+]1CCOC ZINC001293571958 1066083649 /nfs/dbraw/zinc/08/36/49/1066083649.db2.gz PJCRFXGSXKBBIA-IBGZPJMESA-N 1 1 457.623 2.611 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)cc2)CC[N@H+]1CCOC ZINC001293572708 1066084528 /nfs/dbraw/zinc/08/45/28/1066084528.db2.gz SWUHHMCXFONAAY-JOCHJYFZSA-N 1 1 465.602 2.837 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001293576525 1066087137 /nfs/dbraw/zinc/08/71/37/1066087137.db2.gz ALACXAOIBHOPGU-GUDVDZBRSA-N 1 1 477.679 2.972 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293585521 1066094434 /nfs/dbraw/zinc/09/44/34/1066094434.db2.gz QTZWWILZBNEDOV-VWPQPMDRSA-N 1 1 470.618 2.552 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)CCOC)CCO1 ZINC001293591795 1066097909 /nfs/dbraw/zinc/09/79/09/1066097909.db2.gz ARPDCFWXIXUKNG-NRFANRHFSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001293592611 1066098186 /nfs/dbraw/zinc/09/81/86/1066098186.db2.gz BVDBJTSNKUKMJC-DHIUTWEWSA-N 1 1 462.683 2.841 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293593095 1066098927 /nfs/dbraw/zinc/09/89/27/1066098927.db2.gz DBUKHIFELVODLG-AKHDSKFASA-N 1 1 475.556 2.687 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001293596107 1066106480 /nfs/dbraw/zinc/10/64/80/1066106480.db2.gz PZYVLRIUEYSPQT-SFTDATJTSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1CCOC ZINC001293596146 1066107155 /nfs/dbraw/zinc/10/71/55/1066107155.db2.gz QITGGNRMMXPINJ-JTHBVZDNSA-N 1 1 499.660 2.861 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293597428 1066109515 /nfs/dbraw/zinc/10/95/15/1066109515.db2.gz SXBPGNKOQYMGMP-DHIUTWEWSA-N 1 1 484.645 2.805 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293600623 1066117043 /nfs/dbraw/zinc/11/70/43/1066117043.db2.gz HWRUXIQVFTUZQK-BDTNDASRSA-N 1 1 460.667 2.672 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293600626 1066117124 /nfs/dbraw/zinc/11/71/24/1066117124.db2.gz HWRUXIQVFTUZQK-YPAWHYETSA-N 1 1 460.667 2.672 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Cl)cn2)C[C@H]1[NH+]1CCOCC1 ZINC001293602850 1066119521 /nfs/dbraw/zinc/11/95/21/1066119521.db2.gz PFVYELOYMXEQPA-PKOBYXMFSA-N 1 1 450.031 2.964 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001293607192 1066122783 /nfs/dbraw/zinc/12/27/83/1066122783.db2.gz IGCLNDZHQNINIE-MSOLQXFVSA-N 1 1 496.582 2.945 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293608048 1066123777 /nfs/dbraw/zinc/12/37/77/1066123777.db2.gz LJYFEWTWUGUIHY-PKTZIBPZSA-N 1 1 468.646 2.730 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293609632 1066124723 /nfs/dbraw/zinc/12/47/23/1066124723.db2.gz RLCCTOTUKVDSLW-YTFSRNRJSA-N 1 1 462.683 2.525 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293612051 1066127478 /nfs/dbraw/zinc/12/74/78/1066127478.db2.gz JHRDRMBKERZNGL-UGKGYDQZSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293612048 1066127506 /nfs/dbraw/zinc/12/75/06/1066127506.db2.gz JHRDRMBKERZNGL-DENIHFKCSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293612684 1066129145 /nfs/dbraw/zinc/12/91/45/1066129145.db2.gz PFRKMRRGAYGDAA-CTNGQTDRSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293612684 1066129149 /nfs/dbraw/zinc/12/91/49/1066129149.db2.gz PFRKMRRGAYGDAA-CTNGQTDRSA-N 1 1 457.619 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@H+]1CCOC ZINC001293613443 1066130587 /nfs/dbraw/zinc/13/05/87/1066130587.db2.gz RXTMZLMIPYNXKF-LADGPHEKSA-N 1 1 486.636 2.814 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1CCOC ZINC001293616273 1066132015 /nfs/dbraw/zinc/13/20/15/1066132015.db2.gz GGUGDLXIWNQEAY-JOCHJYFZSA-N 1 1 499.660 2.678 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293616767 1066133191 /nfs/dbraw/zinc/13/31/91/1066133191.db2.gz NTIAITHWENQBOE-BVAGGSTKSA-N 1 1 464.614 2.719 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293627564 1066142044 /nfs/dbraw/zinc/14/20/44/1066142044.db2.gz DEBURZRBKMIWMM-NRFANRHFSA-N 1 1 454.619 2.989 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293627565 1066142114 /nfs/dbraw/zinc/14/21/14/1066142114.db2.gz DEBURZRBKMIWMM-OAQYLSRUSA-N 1 1 454.619 2.989 20 0 JFADMO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](SC)C(C)(C)C)CC[N@H+]1CCOC ZINC001293633380 1066148716 /nfs/dbraw/zinc/14/87/16/1066148716.db2.gz ZXGQXUYIPFMRLD-MOPGFXCFSA-N 1 1 466.696 2.725 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)C[C@@H]1[NH+]1CCOCC1 ZINC001293634296 1066149739 /nfs/dbraw/zinc/14/97/39/1066149739.db2.gz DNJCAQCCLLSGEW-GMAHTHKFSA-N 1 1 498.672 2.793 20 0 JFADMO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCSC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293636741 1066154691 /nfs/dbraw/zinc/15/46/91/1066154691.db2.gz WDOHEHTWXNFMTO-MOPGFXCFSA-N 1 1 492.715 2.958 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293643145 1066158205 /nfs/dbraw/zinc/15/82/05/1066158205.db2.gz AXTMVXOIOSJJMD-MSOLQXFVSA-N 1 1 483.535 2.967 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001293643418 1066158825 /nfs/dbraw/zinc/15/88/25/1066158825.db2.gz DRYLVMUPKQFOGV-HXUWFJFHSA-N 1 1 460.598 2.637 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC001293643417 1066158893 /nfs/dbraw/zinc/15/88/93/1066158893.db2.gz DRYLVMUPKQFOGV-FQEVSTJZSA-N 1 1 460.598 2.637 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293643621 1066159086 /nfs/dbraw/zinc/15/90/86/1066159086.db2.gz GADVAFZYDAUNCH-VQTJNVASSA-N 1 1 473.618 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2CCC[NH+]2CCOCC2)CCS1 ZINC001293644817 1066159860 /nfs/dbraw/zinc/15/98/60/1066159860.db2.gz PIHYZJHMODGVSL-IBGZPJMESA-N 1 1 461.632 2.920 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001293645682 1066161295 /nfs/dbraw/zinc/16/12/95/1066161295.db2.gz XROHBVUXCTVCNA-NHCUHLMSSA-N 1 1 473.618 2.838 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2Cc2snnc2C)CC[N@H+]1CCOC ZINC001293646022 1066161327 /nfs/dbraw/zinc/16/13/27/1066161327.db2.gz JVDVFQBKFPRBRG-LJQANCHMSA-N 1 1 471.631 2.921 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001293645681 1066161403 /nfs/dbraw/zinc/16/14/03/1066161403.db2.gz XROHBVUXCTVCNA-LEWJYISDSA-N 1 1 473.618 2.838 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293650722 1066163462 /nfs/dbraw/zinc/16/34/62/1066163462.db2.gz TUPXLJCUYOENNF-IRFCIJBXSA-N 1 1 461.582 2.968 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)Br)CC[N@H+]1CCOC ZINC001293653289 1066165757 /nfs/dbraw/zinc/16/57/57/1066165757.db2.gz NTDKQWXALFHBHX-XHSDSOJGSA-N 1 1 496.397 2.537 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 ZINC001293671730 1066171514 /nfs/dbraw/zinc/17/15/14/1066171514.db2.gz KNSHBZDASMQVHM-SFHVURJKSA-N 1 1 454.575 2.807 20 0 JFADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001293676538 1066172866 /nfs/dbraw/zinc/17/28/66/1066172866.db2.gz GUZGBZQSMUIGEY-UHFFFAOYSA-N 1 1 452.536 2.893 20 0 JFADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC001293676538 1066172870 /nfs/dbraw/zinc/17/28/70/1066172870.db2.gz GUZGBZQSMUIGEY-UHFFFAOYSA-N 1 1 452.536 2.893 20 0 JFADMO CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001293711175 1066179711 /nfs/dbraw/zinc/17/97/11/1066179711.db2.gz CEHLJOUURNANSX-BUBNMIKSSA-N 1 1 466.630 2.833 20 0 JFADMO CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293711180 1066179925 /nfs/dbraw/zinc/17/99/25/1066179925.db2.gz CEHLJOUURNANSX-LTAGHDIISA-N 1 1 466.630 2.833 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(COCC)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC001293735043 1066192075 /nfs/dbraw/zinc/19/20/75/1066192075.db2.gz AQFQKFRIJYVQOT-UGKGYDQZSA-N 1 1 470.618 2.758 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001293735490 1066193295 /nfs/dbraw/zinc/19/32/95/1066193295.db2.gz FFWSDSJJBHCGBC-HSZRJFAPSA-N 1 1 495.672 2.750 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293741013 1066204629 /nfs/dbraw/zinc/20/46/29/1066204629.db2.gz BVBIQQUAVUHJSK-IEBWSBKVSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293741013 1066204645 /nfs/dbraw/zinc/20/46/45/1066204645.db2.gz BVBIQQUAVUHJSK-IEBWSBKVSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293741007 1066204712 /nfs/dbraw/zinc/20/47/12/1066204712.db2.gz BVBIQQUAVUHJSK-HKUYNNGSSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293741007 1066204721 /nfs/dbraw/zinc/20/47/21/1066204721.db2.gz BVBIQQUAVUHJSK-HKUYNNGSSA-N 1 1 476.025 2.599 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001293744475 1066212688 /nfs/dbraw/zinc/21/26/88/1066212688.db2.gz ZXLRVPDZULBPNW-HKUYNNGSSA-N 1 1 476.025 2.599 20 0 JFADMO COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC001293746406 1066216683 /nfs/dbraw/zinc/21/66/83/1066216683.db2.gz ZNVSBIWMDKUGSZ-QGZVFWFLSA-N 1 1 459.568 2.760 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001293762022 1066246542 /nfs/dbraw/zinc/24/65/42/1066246542.db2.gz MFHDDRCFTNYEPC-OAQYLSRUSA-N 1 1 487.693 2.767 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001293772941 1066262353 /nfs/dbraw/zinc/26/23/53/1066262353.db2.gz FCZDSLNRFUEVMQ-UHFFFAOYSA-N 1 1 472.609 2.615 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001293774182 1066265276 /nfs/dbraw/zinc/26/52/76/1066265276.db2.gz KFHGQAZRGTZOEB-UHFFFAOYSA-N 1 1 469.634 2.644 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001293774182 1066265289 /nfs/dbraw/zinc/26/52/89/1066265289.db2.gz KFHGQAZRGTZOEB-UHFFFAOYSA-N 1 1 469.634 2.644 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001293787648 1066292224 /nfs/dbraw/zinc/29/22/24/1066292224.db2.gz VBEHESRDPKIXQF-UXHICEINSA-N 1 1 454.623 2.742 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001293787955 1066294058 /nfs/dbraw/zinc/29/40/58/1066294058.db2.gz FFOQTGCAAGVXGV-ACRUOGEOSA-N 1 1 487.693 2.872 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001293813625 1066322315 /nfs/dbraw/zinc/32/23/15/1066322315.db2.gz QEXFMUVJOWMVQG-AREMUKBSSA-N 1 1 483.661 2.662 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001293818643 1066325458 /nfs/dbraw/zinc/32/54/58/1066325458.db2.gz LTESBGDYHNRQPC-CZSZKKDXSA-N 1 1 454.619 2.881 20 0 JFADMO CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001293818645 1066325601 /nfs/dbraw/zinc/32/56/01/1066325601.db2.gz LTESBGDYHNRQPC-WATLYSKOSA-N 1 1 454.619 2.881 20 0 JFADMO CCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001293821781 1066329497 /nfs/dbraw/zinc/32/94/97/1066329497.db2.gz VODUJEIXLIPKRN-GBXCKJPGSA-N 1 1 458.582 2.632 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001293856704 1066364130 /nfs/dbraw/zinc/36/41/30/1066364130.db2.gz OEDLKYFNXNFOEN-QFIPXVFZSA-N 1 1 496.704 2.887 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293866573 1066377873 /nfs/dbraw/zinc/37/78/73/1066377873.db2.gz CCLWLORDQKWUON-JAXLGGSGSA-N 1 1 460.667 2.720 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293883293 1066388567 /nfs/dbraw/zinc/38/85/67/1066388567.db2.gz RCAPRVMIVOFCLY-SFHVURJKSA-N 1 1 456.591 2.710 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293905866 1066396088 /nfs/dbraw/zinc/39/60/88/1066396088.db2.gz SBUAGJBGXHGYDU-IBGZPJMESA-N 1 1 492.690 2.931 20 0 JFADMO CCC[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001293905866 1066396102 /nfs/dbraw/zinc/39/61/02/1066396102.db2.gz SBUAGJBGXHGYDU-IBGZPJMESA-N 1 1 492.690 2.931 20 0 JFADMO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001293937439 1066421661 /nfs/dbraw/zinc/42/16/61/1066421661.db2.gz PCIGTBPFSUDPRP-GBESFXJTSA-N 1 1 454.623 2.739 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001293937449 1066421684 /nfs/dbraw/zinc/42/16/84/1066421684.db2.gz PCIGTBPFSUDPRP-OTWHNJEPSA-N 1 1 454.623 2.739 20 0 JFADMO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001293945632 1066437692 /nfs/dbraw/zinc/43/76/92/1066437692.db2.gz RDHACSSYXCKFDU-GGAORHGYSA-N 1 1 482.677 2.715 20 0 JFADMO CCC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC001293960011 1066458526 /nfs/dbraw/zinc/45/85/26/1066458526.db2.gz APJDEZLCYQORFU-YADHBBJMSA-N 1 1 470.618 2.512 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967951 1066467392 /nfs/dbraw/zinc/46/73/92/1066467392.db2.gz YWOYXEJMUWSHID-SOLBZPMBSA-N 1 1 452.393 2.665 20 0 JFADMO CCC[C@H](Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001293991159 1066494423 /nfs/dbraw/zinc/49/44/23/1066494423.db2.gz HDRYBLJFFSTGAU-SBHAEUEKSA-N 1 1 461.582 2.968 20 0 JFADMO CCC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001293994916 1066496850 /nfs/dbraw/zinc/49/68/50/1066496850.db2.gz SBBAMVUSCZDQJD-OALUTQOASA-N 1 1 461.632 2.915 20 0 JFADMO CCC[C@@H](Cn1c(CSc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001293994916 1066496857 /nfs/dbraw/zinc/49/68/57/1066496857.db2.gz SBBAMVUSCZDQJD-OALUTQOASA-N 1 1 461.632 2.915 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294007375 1066506119 /nfs/dbraw/zinc/50/61/19/1066506119.db2.gz UDBHCLBUKWUMJM-KNQAVFIVSA-N 1 1 473.666 2.628 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294012578 1066508525 /nfs/dbraw/zinc/50/85/25/1066508525.db2.gz LPUJQGAYYURLPF-HXUWFJFHSA-N 1 1 461.582 2.848 20 0 JFADMO CCCC(O)(CCC)Cn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294012578 1066508534 /nfs/dbraw/zinc/50/85/34/1066508534.db2.gz LPUJQGAYYURLPF-HXUWFJFHSA-N 1 1 461.582 2.848 20 0 JFADMO CCCC(O)(CCC)Cn1c(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001294012974 1066508979 /nfs/dbraw/zinc/50/89/79/1066508979.db2.gz QKSRYZZJCNXRTK-TZIWHRDSSA-N 1 1 462.683 2.896 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCS2)CC[N@H+]1CCOC ZINC001294054647 1066527091 /nfs/dbraw/zinc/52/70/91/1066527091.db2.gz LFYPSMZSXNDBPQ-XMSQKQJNSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC[N@H+]1CCOC ZINC001294055262 1066528326 /nfs/dbraw/zinc/52/83/26/1066528326.db2.gz SQKUOQNTWRQPIJ-MOPGFXCFSA-N 1 1 452.669 2.639 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001294055666 1066529261 /nfs/dbraw/zinc/52/92/61/1066529261.db2.gz FHESTTHUBPTAIH-SWHJIRTISA-N 1 1 473.618 2.889 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC[N@H+]1CCOC ZINC001294056166 1066529956 /nfs/dbraw/zinc/52/99/56/1066529956.db2.gz ZNBLRUPIHCGQOW-JOCHJYFZSA-N 1 1 472.609 2.833 20 0 JFADMO CCC[C@H]1CN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC[N@H+]1CCOC ZINC001294060169 1066532739 /nfs/dbraw/zinc/53/27/39/1066532739.db2.gz CGYZJXJYFDFKTM-SFHVURJKSA-N 1 1 456.513 2.908 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001294067018 1066537222 /nfs/dbraw/zinc/53/72/22/1066537222.db2.gz LSKWLFQGKMGXJZ-QFIPXVFZSA-N 1 1 457.619 2.814 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC[N@H+]1CCOC ZINC001294067279 1066537764 /nfs/dbraw/zinc/53/77/64/1066537764.db2.gz HJLQMVNLGKUJCX-JOCHJYFZSA-N 1 1 467.618 2.981 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294067411 1066538191 /nfs/dbraw/zinc/53/81/91/1066538191.db2.gz IROAOMMWDNHWGH-GOTSBHOMSA-N 1 1 484.645 2.902 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC[N@H+]1CCOC ZINC001294072592 1066541697 /nfs/dbraw/zinc/54/16/97/1066541697.db2.gz HCUUYLNZYMLARA-CYFREDJKSA-N 1 1 454.575 2.778 20 0 JFADMO CNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001294072858 1066542181 /nfs/dbraw/zinc/54/21/81/1066542181.db2.gz PNUGGFPVJHCGAC-MRXNPFEDSA-N 1 1 459.490 2.714 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294073140 1066542519 /nfs/dbraw/zinc/54/25/19/1066542519.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 1 1 474.625 2.742 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294074357 1066543026 /nfs/dbraw/zinc/54/30/26/1066543026.db2.gz RMEKSDJIEPGPKT-CYFREDJKSA-N 1 1 475.659 2.759 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001294074358 1066543056 /nfs/dbraw/zinc/54/30/56/1066543056.db2.gz RMEKSDJIEPGPKT-DVECYGJZSA-N 1 1 475.659 2.759 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CC[N@H+]1CCOC ZINC001294074523 1066543440 /nfs/dbraw/zinc/54/34/40/1066543440.db2.gz RZNIVLAHYOHKFT-SFHVURJKSA-N 1 1 456.570 2.681 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294074582 1066543651 /nfs/dbraw/zinc/54/36/51/1066543651.db2.gz TZDFAYXOLVONJK-NTKDMRAZSA-N 1 1 461.582 2.827 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC[N@H+]1CCOC ZINC001294076486 1066545511 /nfs/dbraw/zinc/54/55/11/1066545511.db2.gz JMYSIXHKBZZINZ-HXUWFJFHSA-N 1 1 459.545 2.942 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294076805 1066545955 /nfs/dbraw/zinc/54/59/55/1066545955.db2.gz LISXMOOJQALOPQ-RBUKOAKNSA-N 1 1 450.534 2.701 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294076804 1066546004 /nfs/dbraw/zinc/54/60/04/1066546004.db2.gz LISXMOOJQALOPQ-OALUTQOASA-N 1 1 450.534 2.701 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CC[N@H+]1CCOC ZINC001294077380 1066546321 /nfs/dbraw/zinc/54/63/21/1066546321.db2.gz OISBZPQWZCUOHF-SFHVURJKSA-N 1 1 456.620 2.794 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294077876 1066547446 /nfs/dbraw/zinc/54/74/46/1066547446.db2.gz SZYHRQLURPAIKV-NRFANRHFSA-N 1 1 451.575 2.729 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001294078065 1066547926 /nfs/dbraw/zinc/54/79/26/1066547926.db2.gz VKJPLQFAAIMWPR-OFVILXPXSA-N 1 1 465.602 2.580 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@H+]1CCOC ZINC001294078602 1066548236 /nfs/dbraw/zinc/54/82/36/1066548236.db2.gz BKCZSBXOLXZFKD-RTWAWAEBSA-N 1 1 471.650 2.619 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294081929 1066550278 /nfs/dbraw/zinc/55/02/78/1066550278.db2.gz IUOBVRLKJDUFSB-RCCFBDPRSA-N 1 1 454.566 2.602 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@H+]1CCOC ZINC001294082195 1066550658 /nfs/dbraw/zinc/55/06/58/1066550658.db2.gz QOZCWNCBYRFYCR-UXHICEINSA-N 1 1 467.680 2.631 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@H+]1CCOC ZINC001294082432 1066551393 /nfs/dbraw/zinc/55/13/93/1066551393.db2.gz REKFVFBIBVNCHH-TZIWHRDSSA-N 1 1 458.607 2.561 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CC[N@H+]1CCOC ZINC001294082497 1066551464 /nfs/dbraw/zinc/55/14/64/1066551464.db2.gz KSFGXINHVVHRIU-GOSISDBHSA-N 1 1 456.620 2.794 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@@H+](CC)CCC)CCO1 ZINC001294083868 1066553246 /nfs/dbraw/zinc/55/32/46/1066553246.db2.gz PNQGVXIIWRQCGT-LJQANCHMSA-N 1 1 467.618 2.929 20 0 JFADMO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC[N@H+]1CCOC ZINC001294087544 1066559477 /nfs/dbraw/zinc/55/94/77/1066559477.db2.gz UEYKPINVXBJYOR-NJDAHSKKSA-N 1 1 451.656 2.855 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001294089494 1066560420 /nfs/dbraw/zinc/56/04/20/1066560420.db2.gz BLFAFOBCGYRIOB-BVZFJXPGSA-N 1 1 490.599 2.563 20 0 JFADMO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001294091310 1066562278 /nfs/dbraw/zinc/56/22/78/1066562278.db2.gz NMHLQPGVZGKOMF-HXUWFJFHSA-N 1 1 457.596 2.899 20 0 JFADMO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[N@@H+](C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635945 719143898 /nfs/dbraw/zinc/14/38/98/719143898.db2.gz XSEVHCNBKTZTAN-HOFKKMOUSA-N 1 1 461.610 2.587 20 0 JFADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)CC2 ZINC001164648818 719308479 /nfs/dbraw/zinc/30/84/79/719308479.db2.gz ROKDROFJQUZVDR-UHFFFAOYSA-N 1 1 469.968 2.913 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2cc1OC(C)=O ZINC001164650450 719313650 /nfs/dbraw/zinc/31/36/50/719313650.db2.gz DSYPTOVUXRFGMH-UHFFFAOYSA-N 1 1 466.542 2.882 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(Cl)nn4)C3)C2)cc[nH+]1 ZINC001164663723 719356554 /nfs/dbraw/zinc/35/65/54/719356554.db2.gz GXAKMCVVSYYLHP-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(F)(F)c4cc(Cl)ncn4)C3)C2)cc[nH+]1 ZINC001164664564 719356684 /nfs/dbraw/zinc/35/66/84/719356684.db2.gz OHPCNEZZRYUZRF-LJQANCHMSA-N 1 1 453.925 2.654 20 0 JFADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCn3c(CN4CCOCC4)nnc3C2)n1 ZINC001164679664 719589349 /nfs/dbraw/zinc/58/93/49/719589349.db2.gz CECLWOAKPYGYRZ-UHFFFAOYSA-N 1 1 490.637 2.864 20 0 JFADMO CCOc1ccc([N-]S(=O)(=O)c2cccnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164679468 719633935 /nfs/dbraw/zinc/63/39/35/719633935.db2.gz BNOWWUVBJGCSMV-UHFFFAOYSA-N 1 1 484.626 2.953 20 0 JFADMO CCOc1ccc([N-]S(=O)(=O)c2cccnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164679468 719633936 /nfs/dbraw/zinc/63/39/36/719633936.db2.gz BNOWWUVBJGCSMV-UHFFFAOYSA-N 1 1 484.626 2.953 20 0 JFADMO COC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164681579 719672511 /nfs/dbraw/zinc/67/25/11/719672511.db2.gz NCRWLRHKAQJUPR-SFHVURJKSA-N 1 1 490.608 2.838 20 0 JFADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4c(n2)N2CCC[C@H]2C(=O)N4C)CC3)cs1 ZINC001164692867 719809311 /nfs/dbraw/zinc/80/93/11/719809311.db2.gz NFBKLBLWSZVVEU-SFHVURJKSA-N 1 1 453.616 2.822 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693720 719813482 /nfs/dbraw/zinc/81/34/82/719813482.db2.gz YJGGKZPVIZUGEF-HKBQPEDESA-N 1 1 463.629 2.791 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693720 719813484 /nfs/dbraw/zinc/81/34/84/719813484.db2.gz YJGGKZPVIZUGEF-HKBQPEDESA-N 1 1 463.629 2.791 20 0 JFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164708189 719866154 /nfs/dbraw/zinc/86/61/54/719866154.db2.gz YHORAYIGCLKKTR-WNSKOXEYSA-N 1 1 474.562 2.538 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2c1C ZINC001164699246 719867375 /nfs/dbraw/zinc/86/73/75/719867375.db2.gz BCCFDRFHXXLHSM-WAIKUNEKSA-N 1 1 476.599 2.718 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1C ZINC001164699239 719867509 /nfs/dbraw/zinc/86/75/09/719867509.db2.gz BCCFDRFHXXLHSM-HJPURHCSSA-N 1 1 476.599 2.718 20 0 JFADMO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164698151 719882732 /nfs/dbraw/zinc/88/27/32/719882732.db2.gz DIZXVIQDCYVXDR-DNVJHFABSA-N 1 1 470.577 2.767 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001164699067 719895338 /nfs/dbraw/zinc/89/53/38/719895338.db2.gz WQTRJDJRWZUPCJ-UHFFFAOYSA-N 1 1 471.627 2.799 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164715594 720107772 /nfs/dbraw/zinc/10/77/72/720107772.db2.gz IHCFWXUHEQABBW-FQEVSTJZSA-N 1 1 495.653 2.825 20 0 JFADMO COCCn1ccc2c1ncnc2N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716252 720121822 /nfs/dbraw/zinc/12/18/22/720121822.db2.gz JNPDWYUAXYBUFN-NRFANRHFSA-N 1 1 450.587 2.980 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164719495 720123148 /nfs/dbraw/zinc/12/31/48/720123148.db2.gz XMCHXHJVJKFBNL-OAHLLOKOSA-N 1 1 465.385 2.785 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164714615 720129988 /nfs/dbraw/zinc/12/99/88/720129988.db2.gz XPJWMRHLFJPHSB-QFIPXVFZSA-N 1 1 485.654 2.769 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164710413 720145792 /nfs/dbraw/zinc/14/57/92/720145792.db2.gz AZVMKPGIBGRBQX-QFIPXVFZSA-N 1 1 492.624 2.815 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815941 720159046 /nfs/dbraw/zinc/15/90/46/720159046.db2.gz IZKLKEWVGZPRNX-BWKNWUBXSA-N 1 1 481.622 2.853 20 0 JFADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820164 720183421 /nfs/dbraw/zinc/18/34/21/720183421.db2.gz ZSDSTVKTMQTGLF-HOFKKMOUSA-N 1 1 462.642 2.988 20 0 JFADMO COc1cc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164716517 720184708 /nfs/dbraw/zinc/18/47/08/720184708.db2.gz GIJJLRANIAMYDF-HXUWFJFHSA-N 1 1 452.559 2.597 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)NC1CCCCC1)CCC2 ZINC001164810929 720213176 /nfs/dbraw/zinc/21/31/76/720213176.db2.gz FPCGCCNYQNLCND-UHFFFAOYSA-N 1 1 452.603 2.951 20 0 JFADMO COC(=O)C[C@@H](c1ccnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1)C1CC1 ZINC001164814521 720233791 /nfs/dbraw/zinc/23/37/91/720233791.db2.gz WWAMFNTZCIBVPV-OAQYLSRUSA-N 1 1 453.587 2.946 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCC(C)CC1)CCC2 ZINC001164812107 720235877 /nfs/dbraw/zinc/23/58/77/720235877.db2.gz BCESSOJSVPWRJI-UHFFFAOYSA-N 1 1 452.603 2.761 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CCC2 ZINC001164813858 720236156 /nfs/dbraw/zinc/23/61/56/720236156.db2.gz QJESSCCDLMYBNE-UHFFFAOYSA-N 1 1 462.554 2.722 20 0 JFADMO COc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)c(OC)c1 ZINC001164812198 720240414 /nfs/dbraw/zinc/24/04/14/720240414.db2.gz CYKNRMUAIUVRQK-UHFFFAOYSA-N 1 1 464.570 2.968 20 0 JFADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CCC2 ZINC001164818330 720244046 /nfs/dbraw/zinc/24/40/46/720244046.db2.gz YOTPYWMHRWSHID-UHFFFAOYSA-N 1 1 455.941 2.548 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)C2)C1 ZINC001164723249 720285488 /nfs/dbraw/zinc/28/54/88/720285488.db2.gz VPJJOMRSQHDLER-MHZLTWQESA-N 1 1 476.625 2.761 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3c(C)c(C)n4Cc3ccccc3)C2)C1 ZINC001164723249 720285499 /nfs/dbraw/zinc/28/54/99/720285499.db2.gz VPJJOMRSQHDLER-MHZLTWQESA-N 1 1 476.625 2.761 20 0 JFADMO COCCOc1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1OCCOC ZINC001164727774 720350354 /nfs/dbraw/zinc/35/03/54/720350354.db2.gz UNDHFQUMOAEWID-XZOQPEGZSA-N 1 1 479.581 2.928 20 0 JFADMO Cc1nc(CN2CCN(C)C3(CCN(c4cc[nH+]c(N5CCCCC5)n4)CC3)C2=O)cs1 ZINC001164819821 720377964 /nfs/dbraw/zinc/37/79/64/720377964.db2.gz IQFNFADAVUNQQU-UHFFFAOYSA-N 1 1 455.632 2.545 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164735746 720420203 /nfs/dbraw/zinc/42/02/03/720420203.db2.gz YJWUPDYIXRMRQL-SFTDATJTSA-N 1 1 451.552 2.921 20 0 JFADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164735744 720420941 /nfs/dbraw/zinc/42/09/41/720420941.db2.gz YJWUPDYIXRMRQL-NHCUHLMSSA-N 1 1 451.552 2.921 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164729316 720428026 /nfs/dbraw/zinc/42/80/26/720428026.db2.gz GWQGTYONFRENCA-YADHBBJMSA-N 1 1 460.563 2.917 20 0 JFADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1[nH+]cnc3c1ccn3C1CCCC1)C2 ZINC001164831235 720456111 /nfs/dbraw/zinc/45/61/11/720456111.db2.gz NVKFKTKWVPHBBF-LJQANCHMSA-N 1 1 465.602 2.733 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1C ZINC001164841330 720594415 /nfs/dbraw/zinc/59/44/15/720594415.db2.gz RVNWTWSSACDXJN-XYJFISCASA-N 1 1 471.993 2.983 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@@H]21 ZINC001164840649 720600087 /nfs/dbraw/zinc/60/00/87/720600087.db2.gz QCSFIQUIQSVCPS-FSSWDIPSSA-N 1 1 465.650 2.646 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC[C@@H]21 ZINC001164840137 720602352 /nfs/dbraw/zinc/60/23/52/720602352.db2.gz PDLSDWDZZAENAH-FUDKSRODSA-N 1 1 472.659 2.831 20 0 JFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745085 720648292 /nfs/dbraw/zinc/64/82/92/720648292.db2.gz UIEONOFOVKDLGE-UXHICEINSA-N 1 1 464.957 2.797 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164841977 720683540 /nfs/dbraw/zinc/68/35/40/720683540.db2.gz KQWLPRKZEHJPPK-KRWDZBQOSA-N 1 1 450.992 2.642 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164836418 720720148 /nfs/dbraw/zinc/72/01/48/720720148.db2.gz AERSUEUMRHGDCF-QGZVFWFLSA-N 1 1 450.992 2.642 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164740354 720749701 /nfs/dbraw/zinc/74/97/01/720749701.db2.gz KFXIDPLEXYMCGF-KBPBESRZSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)n1 ZINC001164740354 720749712 /nfs/dbraw/zinc/74/97/12/720749712.db2.gz KFXIDPLEXYMCGF-KBPBESRZSA-N 1 1 453.877 2.589 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737481 720752964 /nfs/dbraw/zinc/75/29/64/720752964.db2.gz BVUDTDBCTXSXIA-JKSUJKDBSA-N 1 1 454.918 2.592 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741856 720753674 /nfs/dbraw/zinc/75/36/74/720753674.db2.gz NFSJDYMXDMQGHX-CVEARBPZSA-N 1 1 459.888 2.869 20 0 JFADMO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741856 720753681 /nfs/dbraw/zinc/75/36/81/720753681.db2.gz NFSJDYMXDMQGHX-CVEARBPZSA-N 1 1 459.888 2.869 20 0 JFADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744869 720804226 /nfs/dbraw/zinc/80/42/26/720804226.db2.gz JALJNGWKUSXINT-HUUCEWRRSA-N 1 1 454.865 2.504 20 0 JFADMO O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740796 720814308 /nfs/dbraw/zinc/81/43/08/720814308.db2.gz AJEPVDSLXWIVJE-GIFXNVAJSA-N 1 1 471.609 2.983 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746035 720816877 /nfs/dbraw/zinc/81/68/77/720816877.db2.gz XRPCNTZXBOMDLL-GVDBMIGSSA-N 1 1 466.968 2.712 20 0 JFADMO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164743227 720821655 /nfs/dbraw/zinc/82/16/55/720821655.db2.gz RLVHGRNKXLPNKV-GBESFXJTSA-N 1 1 454.579 2.795 20 0 JFADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737990 720828304 /nfs/dbraw/zinc/82/83/04/720828304.db2.gz DBQBPOPIJJKACM-IRFCIJBXSA-N 1 1 451.575 2.502 20 0 JFADMO CCOC(=O)c1cnc(C2CC2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737993 720828413 /nfs/dbraw/zinc/82/84/13/720828413.db2.gz DBQBPOPIJJKACM-SVFBPWRDSA-N 1 1 451.575 2.502 20 0 JFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164747961 720835545 /nfs/dbraw/zinc/83/55/45/720835545.db2.gz SCCRPUSGPVYYKT-FDFHNCONSA-N 1 1 459.602 2.576 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164745762 720838827 /nfs/dbraw/zinc/83/88/27/720838827.db2.gz NGDMGAABSQSOQK-JENIJYKNSA-N 1 1 467.599 2.839 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2s1 ZINC001164745765 720838940 /nfs/dbraw/zinc/83/89/40/720838940.db2.gz NGDMGAABSQSOQK-ZIFCJYIRSA-N 1 1 467.599 2.839 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744715 720840656 /nfs/dbraw/zinc/84/06/56/720840656.db2.gz LHSYEOAJOJOKBC-CNNODRBYSA-N 1 1 495.628 2.824 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001164739516 720847183 /nfs/dbraw/zinc/84/71/83/720847183.db2.gz AVRLSXKWRXRTNE-WMTXJRDZSA-N 1 1 463.630 2.925 20 0 JFADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751800 720847788 /nfs/dbraw/zinc/84/77/88/720847788.db2.gz YSUUVCOYSXTROO-AYRHNUGRSA-N 1 1 499.667 2.774 20 0 JFADMO Clc1nc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752015 720854031 /nfs/dbraw/zinc/85/40/31/720854031.db2.gz SMDFLNRQPGDJKA-QLFBSQMISA-N 1 1 460.373 2.698 20 0 JFADMO NC(=S)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2sccc21 ZINC001164747620 720861235 /nfs/dbraw/zinc/86/12/35/720861235.db2.gz ILAZZOVJTFWGFT-FRQCXROJSA-N 1 1 453.641 2.901 20 0 JFADMO CS(=O)(=O)c1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755732 720868546 /nfs/dbraw/zinc/86/85/46/720868546.db2.gz YJLAIRNQNCEQHL-CVDCTZTESA-N 1 1 492.045 2.684 20 0 JFADMO NC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1Cl ZINC001164755460 720875088 /nfs/dbraw/zinc/87/50/88/720875088.db2.gz XHYYAMSWQUUPFT-DVECYGJZSA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754581 720876267 /nfs/dbraw/zinc/87/62/67/720876267.db2.gz SBGZXPKJRXSEQY-IBVKSMDESA-N 1 1 476.581 2.846 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164756319 720897961 /nfs/dbraw/zinc/89/79/61/720897961.db2.gz PSDCFZXNKJEYSS-RBJSKKJNSA-N 1 1 489.620 2.881 20 0 JFADMO CON(C)C(=O)c1cccnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749970 720899340 /nfs/dbraw/zinc/89/93/40/720899340.db2.gz BFTWTGVMSFRLJR-GJZUVCINSA-N 1 1 465.598 2.865 20 0 JFADMO CS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164752365 720905548 /nfs/dbraw/zinc/90/55/48/720905548.db2.gz NYHWAQQGDJQLJM-XUZZJYLKSA-N 1 1 456.612 2.635 20 0 JFADMO CC(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164750918 720909818 /nfs/dbraw/zinc/90/98/18/720909818.db2.gz LCGSNURLSBXPAR-ZEQKJWHPSA-N 1 1 499.681 2.918 20 0 JFADMO c1ncn(Cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)n1 ZINC001164748511 720910459 /nfs/dbraw/zinc/91/04/59/720910459.db2.gz GNNMUVTXXYMOMA-AHWVRZQESA-N 1 1 459.598 2.872 20 0 JFADMO O=c1ccccn1-c1nccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755165 720915513 /nfs/dbraw/zinc/91/55/13/720915513.db2.gz ZGPYAEYFJWGILL-HOFKKMOUSA-N 1 1 472.593 2.778 20 0 JFADMO COC(=O)CSc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750051 720920629 /nfs/dbraw/zinc/92/06/29/720920629.db2.gz IWEIGWSISWOTGU-OFVILXPXSA-N 1 1 483.638 2.892 20 0 JFADMO Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747889 720929010 /nfs/dbraw/zinc/92/90/10/720929010.db2.gz DPJQSKQWFFEPMG-RDGATRHJSA-N 1 1 460.586 2.516 20 0 JFADMO COCc1nc(OC)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748589 720935019 /nfs/dbraw/zinc/93/50/19/720935019.db2.gz HEFMEIRXMQYNMP-BWKNWUBXSA-N 1 1 453.587 2.782 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164759098 721020375 /nfs/dbraw/zinc/02/03/75/721020375.db2.gz KPBQBWMWSRPZIH-DFZDUAMZSA-N 1 1 498.631 2.978 20 0 JFADMO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164759098 721020382 /nfs/dbraw/zinc/02/03/82/721020382.db2.gz KPBQBWMWSRPZIH-DFZDUAMZSA-N 1 1 498.631 2.978 20 0 JFADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867949 721049067 /nfs/dbraw/zinc/04/90/67/721049067.db2.gz LEBRBHAPWBDXSX-JKSUJKDBSA-N 1 1 467.904 2.726 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164871016 721052608 /nfs/dbraw/zinc/05/26/08/721052608.db2.gz XTLQWDSLRLHEAX-QZTJIDSGSA-N 1 1 453.930 2.945 20 0 JFADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866199 721076857 /nfs/dbraw/zinc/07/68/57/721076857.db2.gz SAECLJROTKXAHD-HOTGVXAUSA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864910 721087800 /nfs/dbraw/zinc/08/78/00/721087800.db2.gz HIEPJALVESZSRW-CVEARBPZSA-N 1 1 463.991 2.903 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867316 721120318 /nfs/dbraw/zinc/12/03/18/721120318.db2.gz XUGCGTYXGXLTTE-RBUKOAKNSA-N 1 1 467.570 2.728 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867317 721121114 /nfs/dbraw/zinc/12/11/14/721121114.db2.gz XUGCGTYXGXLTTE-RTBURBONSA-N 1 1 467.570 2.728 20 0 JFADMO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164764910 721135348 /nfs/dbraw/zinc/13/53/48/721135348.db2.gz ILPXPPMRRVBFMX-PZJWPPBQSA-N 1 1 476.629 2.940 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C[C@H]3C2)cn1 ZINC001164773950 721158948 /nfs/dbraw/zinc/15/89/48/721158948.db2.gz ZLEPWJDGUJOATK-IFMALSPDSA-N 1 1 459.602 2.616 20 0 JFADMO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164875308 721171200 /nfs/dbraw/zinc/17/12/00/721171200.db2.gz KUBDBZBLSFLAAM-DQEYMECFSA-N 1 1 472.593 2.855 20 0 JFADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5C[N@H+](Cc6cnn(C)c6)CC[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164769342 721190558 /nfs/dbraw/zinc/19/05/58/721190558.db2.gz MCNKAHZHGLGORL-YADHBBJMSA-N 1 1 472.593 2.938 20 0 JFADMO O=C(N[C@@H]1CCO[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)C1)c1cnccn1 ZINC001164870659 721213529 /nfs/dbraw/zinc/21/35/29/721213529.db2.gz GZDQCGYQEZYIJZ-JPYJTQIMSA-N 1 1 456.978 2.679 20 0 JFADMO COc1ccc(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164765539 721227430 /nfs/dbraw/zinc/22/74/30/721227430.db2.gz RWJPBVOTOMPXEZ-RTBURBONSA-N 1 1 464.570 2.861 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)C1 ZINC001164877805 721262216 /nfs/dbraw/zinc/26/22/16/721262216.db2.gz RSIWXASPTFCWRH-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)CC2)C1 ZINC001164874463 721281404 /nfs/dbraw/zinc/28/14/04/721281404.db2.gz RYRMVXXIUHGPIC-UHFFFAOYSA-N 1 1 489.083 2.832 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)C1 ZINC001164874456 721285539 /nfs/dbraw/zinc/28/55/39/721285539.db2.gz RXFMDSHABFVUPV-UHFFFAOYSA-N 1 1 466.611 2.760 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC2)C1 ZINC001164873793 721294501 /nfs/dbraw/zinc/29/45/01/721294501.db2.gz AMWNMRZTAVGCOU-UHFFFAOYSA-N 1 1 485.460 2.781 20 0 JFADMO O=C(NCc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@H]2OCC[C@@H]21 ZINC001164874182 721302986 /nfs/dbraw/zinc/30/29/86/721302986.db2.gz BIPUDDTUKLWSIW-NJDAHSKKSA-N 1 1 455.990 2.884 20 0 JFADMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1nc(Cl)ccc1C[NH+]1CCCC1)c1ccnnc1 ZINC001164875624 721322834 /nfs/dbraw/zinc/32/28/34/721322834.db2.gz GHTOWMNPRAPDFJ-LRQRDZAKSA-N 1 1 456.978 2.535 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4COC[C@]4(COCC(=O)N4CCCC4)C3)c2c1C ZINC001164889762 721337440 /nfs/dbraw/zinc/33/74/40/721337440.db2.gz ZEGQXRACCQQSJI-FNZWTVRRSA-N 1 1 499.681 2.996 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001164777403 721351783 /nfs/dbraw/zinc/35/17/83/721351783.db2.gz GTBRTELBKKJKIM-HSZRJFAPSA-N 1 1 477.009 2.690 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3N3CCOCC3)C2)C1 ZINC001164777403 721351787 /nfs/dbraw/zinc/35/17/87/721351787.db2.gz GTBRTELBKKJKIM-HSZRJFAPSA-N 1 1 477.009 2.690 20 0 JFADMO O=C1CO[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881555 721364000 /nfs/dbraw/zinc/36/40/00/721364000.db2.gz DTJJYWJLMOBJCV-DNQXCXABSA-N 1 1 459.525 2.795 20 0 JFADMO O=C1CO[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2N1c1cccc(F)c1 ZINC001164881555 721364004 /nfs/dbraw/zinc/36/40/04/721364004.db2.gz DTJJYWJLMOBJCV-DNQXCXABSA-N 1 1 459.525 2.795 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C2)C1 ZINC001164782259 721371060 /nfs/dbraw/zinc/37/10/60/721371060.db2.gz LTWYERODTCBFGC-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C2)C1 ZINC001164782259 721371064 /nfs/dbraw/zinc/37/10/64/721371064.db2.gz LTWYERODTCBFGC-DEOSSOPVSA-N 1 1 489.642 2.590 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc2c1 ZINC001164890518 721386942 /nfs/dbraw/zinc/38/69/42/721386942.db2.gz NSLLFMATYXUZJT-KOSHJBKYSA-N 1 1 474.005 2.835 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2c1 ZINC001164890521 721387221 /nfs/dbraw/zinc/38/72/21/721387221.db2.gz NSLLFMATYXUZJT-UUOWRZLLSA-N 1 1 474.005 2.835 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4C(=O)NCc4ccccc4)C3)O2)CC1 ZINC001164886313 721387986 /nfs/dbraw/zinc/38/79/86/721387986.db2.gz FBJVVBRRCSBGJS-KCWPFWIISA-N 1 1 463.626 2.777 20 0 JFADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891359 721400425 /nfs/dbraw/zinc/40/04/25/721400425.db2.gz VMMMTZWHFDHJKQ-JPYJTQIMSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891402 721401101 /nfs/dbraw/zinc/40/11/01/721401101.db2.gz VVSVXJODMQULAR-MBSDFSHPSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2)OCC ZINC001164883537 721411736 /nfs/dbraw/zinc/41/17/36/721411736.db2.gz APHAXFNLXJUZPZ-NTKDMRAZSA-N 1 1 482.069 2.837 20 0 JFADMO CCOC(Cc1c(Cl)ncnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2)OCC ZINC001164883538 721412297 /nfs/dbraw/zinc/41/22/97/721412297.db2.gz APHAXFNLXJUZPZ-YADARESESA-N 1 1 482.069 2.837 20 0 JFADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164883520 721417940 /nfs/dbraw/zinc/41/79/40/721417940.db2.gz AMGLGZVGIQSSLM-HYBUGGRVSA-N 1 1 464.054 2.982 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)C3)O2)CC1 ZINC001164890144 721420599 /nfs/dbraw/zinc/42/05/99/721420599.db2.gz SDZHWLRYEMPBPP-LVXARBLLSA-N 1 1 479.604 2.779 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C3)O2)CC1 ZINC001164884587 721420667 /nfs/dbraw/zinc/42/06/67/721420667.db2.gz FBXMSAIMJGAIRZ-YIXXDRMTSA-N 1 1 492.672 2.689 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)O2)CC1 ZINC001164894391 721428747 /nfs/dbraw/zinc/42/87/47/721428747.db2.gz LXGDITUHCSZOGQ-UWJYYQICSA-N 1 1 466.964 2.989 20 0 JFADMO Fc1ccccc1N1CCN(c2cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)ncn2)CC1 ZINC001164787991 721429215 /nfs/dbraw/zinc/42/92/15/721429215.db2.gz RQQFDDGPURZUPL-OALUTQOASA-N 1 1 465.602 2.967 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5ccccc5nc4N4CCCC4)C3)O2)CC1 ZINC001164897957 721431516 /nfs/dbraw/zinc/43/15/16/721431516.db2.gz VFZUDHAVSYCDCY-RLWLMLJZSA-N 1 1 450.631 2.995 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(Cl)n1 ZINC001164898492 721446954 /nfs/dbraw/zinc/44/69/54/721446954.db2.gz VZXBBNSXOCANMT-UZLBHIALSA-N 1 1 458.985 2.506 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164785959 721451655 /nfs/dbraw/zinc/45/16/55/721451655.db2.gz KIHRMHUEBVASMU-XMMPIXPASA-N 1 1 458.647 2.648 20 0 JFADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788712 721454849 /nfs/dbraw/zinc/45/48/49/721454849.db2.gz SVHMKNHDRQEXLO-IBGZPJMESA-N 1 1 471.602 2.869 20 0 JFADMO CCOC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)c12 ZINC001164788712 721454850 /nfs/dbraw/zinc/45/48/50/721454850.db2.gz SVHMKNHDRQEXLO-IBGZPJMESA-N 1 1 471.602 2.869 20 0 JFADMO CCOC(=O)c1c[nH]c2ncnc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788712 721454851 /nfs/dbraw/zinc/45/48/51/721454851.db2.gz SVHMKNHDRQEXLO-IBGZPJMESA-N 1 1 471.602 2.869 20 0 JFADMO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164788661 721455192 /nfs/dbraw/zinc/45/51/92/721455192.db2.gz SESKCFAHSRPTOS-GOSISDBHSA-N 1 1 479.647 2.504 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164788650 721464238 /nfs/dbraw/zinc/46/42/38/721464238.db2.gz VDPYOMDHVQLDEK-OAQYLSRUSA-N 1 1 460.619 2.757 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164789308 721467835 /nfs/dbraw/zinc/46/78/35/721467835.db2.gz MGNYGXZXCCCGOT-JOCHJYFZSA-N 1 1 499.656 2.646 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(C(=O)OC)n1)CC2 ZINC001164790591 721469576 /nfs/dbraw/zinc/46/95/76/721469576.db2.gz RSQOTNUODPAUDU-QGZVFWFLSA-N 1 1 452.983 2.651 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796347 721499530 /nfs/dbraw/zinc/49/95/30/721499530.db2.gz QUFIFHXCOKSGHE-YTTGMZPUSA-N 1 1 457.600 2.667 20 0 JFADMO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904671 721541706 /nfs/dbraw/zinc/54/17/06/721541706.db2.gz FXRNUNGTGPYYSU-DOTOQJQBSA-N 1 1 474.924 2.524 20 0 JFADMO COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc-2n1 ZINC001164798946 721551378 /nfs/dbraw/zinc/55/13/78/721551378.db2.gz AEVJMNLLZMBTJB-URVUXULASA-N 1 1 451.527 2.621 20 0 JFADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164904631 721552753 /nfs/dbraw/zinc/55/27/53/721552753.db2.gz DZJVINFESPGYLA-TZIWHRDSSA-N 1 1 453.566 2.553 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164905312 721555935 /nfs/dbraw/zinc/55/59/35/721555935.db2.gz GPZDICCDHXSRTE-PZJWPPBQSA-N 1 1 462.591 2.887 20 0 JFADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCCC1 ZINC001164904220 721559817 /nfs/dbraw/zinc/55/98/17/721559817.db2.gz DKXXBXLFFVYDHR-PZJWPPBQSA-N 1 1 460.575 2.737 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164809364 721568990 /nfs/dbraw/zinc/56/89/90/721568990.db2.gz WOXFYWHHVPYQQY-YPAWHYETSA-N 1 1 453.587 2.822 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@@H]2CCCO[C@@H]12 ZINC001164809364 721568993 /nfs/dbraw/zinc/56/89/93/721568993.db2.gz WOXFYWHHVPYQQY-YPAWHYETSA-N 1 1 453.587 2.822 20 0 JFADMO COCCN1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1=O ZINC001164901327 721575248 /nfs/dbraw/zinc/57/52/48/721575248.db2.gz DYJVWPWETGRCDL-SJLPKXTDSA-N 1 1 455.628 2.707 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805030 721577872 /nfs/dbraw/zinc/57/78/72/721577872.db2.gz KCNBRYAHWXAOCY-AKFKNWHVSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805030 721577874 /nfs/dbraw/zinc/57/78/74/721577874.db2.gz KCNBRYAHWXAOCY-AKFKNWHVSA-N 1 1 471.627 2.519 20 0 JFADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)C2)cc1 ZINC001164902812 721579801 /nfs/dbraw/zinc/57/98/01/721579801.db2.gz IFHRBFIGAZUGJX-AREMUKBSSA-N 1 1 457.582 2.701 20 0 JFADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)C2)cc1 ZINC001164902812 721579803 /nfs/dbraw/zinc/57/98/03/721579803.db2.gz IFHRBFIGAZUGJX-AREMUKBSSA-N 1 1 457.582 2.701 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164805028 721580907 /nfs/dbraw/zinc/58/09/07/721580907.db2.gz KBSPASBLQBNKHB-GDXZIDHASA-N 1 1 473.643 2.812 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164805028 721580909 /nfs/dbraw/zinc/58/09/09/721580909.db2.gz KBSPASBLQBNKHB-GDXZIDHASA-N 1 1 473.643 2.812 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808899 721581084 /nfs/dbraw/zinc/58/10/84/721581084.db2.gz RNMDLZLMMUGSAH-FUDKSRODSA-N 1 1 473.643 2.812 20 0 JFADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164808899 721581087 /nfs/dbraw/zinc/58/10/87/721581087.db2.gz RNMDLZLMMUGSAH-FUDKSRODSA-N 1 1 473.643 2.812 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)n1 ZINC001164796435 721596175 /nfs/dbraw/zinc/59/61/75/721596175.db2.gz BZVJHSDWXUHWFP-CEXWTWQISA-N 1 1 473.643 2.745 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)c2c1C ZINC001164801543 721598794 /nfs/dbraw/zinc/59/87/94/721598794.db2.gz OYZSWYYPMNQQGW-IHPCNDPISA-N 1 1 493.637 2.718 20 0 JFADMO O=C1CCC(=O)N1Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908947 721714683 /nfs/dbraw/zinc/71/46/83/721714683.db2.gz ZUORQZXTDOEQHY-HSZRJFAPSA-N 1 1 455.509 2.863 20 0 JFADMO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC001164906142 721716464 /nfs/dbraw/zinc/71/64/64/721716464.db2.gz KELDMQFBRCRLBY-QFIPXVFZSA-N 1 1 477.581 2.999 20 0 JFADMO FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913847 721733529 /nfs/dbraw/zinc/73/35/29/721733529.db2.gz YXZDJJIFJZGPAP-QHCPKHFHSA-N 1 1 458.557 2.988 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001165011121 721735753 /nfs/dbraw/zinc/73/57/53/721735753.db2.gz MIDGIRNADXSRLF-UHFFFAOYSA-N 1 1 485.963 2.765 20 0 JFADMO CN1c2cnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2N2CCC[C@H]2C1=O ZINC001164909548 721755333 /nfs/dbraw/zinc/75/53/33/721755333.db2.gz HOZNVOSLUGDCMK-NRFANRHFSA-N 1 1 459.554 2.605 20 0 JFADMO CN1c2cnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2N2CCC[C@H]2C1=O ZINC001164909548 721755334 /nfs/dbraw/zinc/75/53/34/721755334.db2.gz HOZNVOSLUGDCMK-NRFANRHFSA-N 1 1 459.554 2.605 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@@H]32)nc1 ZINC001165013561 721758148 /nfs/dbraw/zinc/75/81/48/721758148.db2.gz NVXHJTQVDAUIAI-HYVLGVRCSA-N 1 1 452.603 2.918 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001165013563 721758407 /nfs/dbraw/zinc/75/84/07/721758407.db2.gz NVXHJTQVDAUIAI-KHUIQGCPSA-N 1 1 452.603 2.918 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013569 721759949 /nfs/dbraw/zinc/75/99/49/721759949.db2.gz NWSNBGWEBIGGDZ-JOCHJYFZSA-N 1 1 450.587 2.930 20 0 JFADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001165014808 721765465 /nfs/dbraw/zinc/76/54/65/721765465.db2.gz JJTRNRLHAGEOID-UHFFFAOYSA-N 1 1 496.619 2.563 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917623 721780613 /nfs/dbraw/zinc/78/06/13/721780613.db2.gz YKOBWZOLHKCWEI-VWLOTQADSA-N 1 1 497.983 2.963 20 0 JFADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917623 721780618 /nfs/dbraw/zinc/78/06/18/721780618.db2.gz YKOBWZOLHKCWEI-VWLOTQADSA-N 1 1 497.983 2.963 20 0 JFADMO c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c12 ZINC001164915642 721785591 /nfs/dbraw/zinc/78/55/91/721785591.db2.gz MJMAMPVDKOVCBM-HHHXNRCGSA-N 1 1 470.577 2.982 20 0 JFADMO COc1cccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21 ZINC001164916392 721785725 /nfs/dbraw/zinc/78/57/25/721785725.db2.gz QMLZISNWFKMMCF-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO COc1cccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21 ZINC001164916392 721785729 /nfs/dbraw/zinc/78/57/29/721785729.db2.gz QMLZISNWFKMMCF-QHCPKHFHSA-N 1 1 455.946 2.795 20 0 JFADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164915545 721785806 /nfs/dbraw/zinc/78/58/06/721785806.db2.gz LBCGLHYJQUMRER-DEOSSOPVSA-N 1 1 458.006 2.834 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1C ZINC001164913379 721793934 /nfs/dbraw/zinc/79/39/34/721793934.db2.gz CPIFMOSCQFXZCT-RUZDIDTESA-N 1 1 497.621 2.988 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1C ZINC001164913379 721793935 /nfs/dbraw/zinc/79/39/35/721793935.db2.gz CPIFMOSCQFXZCT-RUZDIDTESA-N 1 1 497.621 2.988 20 0 JFADMO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4nc(Cl)ccc4C[NH+]4CCCC4)C[C@@H]32)cc1 ZINC001165026561 721795810 /nfs/dbraw/zinc/79/58/10/721795810.db2.gz ZTCTUJGCILGGCY-LEWJYISDSA-N 1 1 456.974 2.956 20 0 JFADMO COC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc2c1OC ZINC001164915016 721797884 /nfs/dbraw/zinc/79/78/84/721797884.db2.gz UAHCYFGVICUPNO-AREMUKBSSA-N 1 1 478.549 2.533 20 0 JFADMO COC(=O)c1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc2c1OC ZINC001164915016 721797888 /nfs/dbraw/zinc/79/78/88/721797888.db2.gz UAHCYFGVICUPNO-AREMUKBSSA-N 1 1 478.549 2.533 20 0 JFADMO CCOC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C(=O)OCC ZINC001165024592 721806632 /nfs/dbraw/zinc/80/66/32/721806632.db2.gz MHDVSBDLLOVJHD-IOMROCGXSA-N 1 1 467.570 2.962 20 0 JFADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@H]21 ZINC001165021426 721827315 /nfs/dbraw/zinc/82/73/15/721827315.db2.gz FPLBXCHTQDTMQW-JMUQELJHSA-N 1 1 450.587 2.517 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1=O ZINC001164920942 721844048 /nfs/dbraw/zinc/84/40/48/721844048.db2.gz LWVAETSMAPWHEJ-WOJBJXKFSA-N 1 1 487.670 2.994 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1=O ZINC001164922569 721844145 /nfs/dbraw/zinc/84/41/45/721844145.db2.gz RAMMHAUMZXAADX-QUCCMNQESA-N 1 1 499.681 2.866 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1=O ZINC001164920531 721844175 /nfs/dbraw/zinc/84/41/75/721844175.db2.gz KDIUHNDDKVAEQQ-AZUAARDMSA-N 1 1 499.681 2.866 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(C3)COCCN(c3ncc(F)cn3)C4)c2)CC1 ZINC001164924206 721846562 /nfs/dbraw/zinc/84/65/62/721846562.db2.gz XGSZENCUNGRGOQ-XMMPIXPASA-N 1 1 456.566 2.607 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)cc1 ZINC001164931733 721854093 /nfs/dbraw/zinc/85/40/93/721854093.db2.gz VNIVOMUIFMCHEK-UXHICEINSA-N 1 1 489.045 2.845 20 0 JFADMO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)cc1 ZINC001164931733 721854094 /nfs/dbraw/zinc/85/40/94/721854094.db2.gz VNIVOMUIFMCHEK-UXHICEINSA-N 1 1 489.045 2.845 20 0 JFADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]21)NC1CCC1 ZINC001164934657 721895947 /nfs/dbraw/zinc/89/59/47/721895947.db2.gz RSCHYULAZSXNNE-LFAGZIFBSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]21)NC1CCC1 ZINC001164934657 721895948 /nfs/dbraw/zinc/89/59/48/721895948.db2.gz RSCHYULAZSXNNE-LFAGZIFBSA-N 1 1 461.610 2.935 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc5c(n4)N4CCC[C@@H]4C(=O)N5C)CC3)C2)cc1 ZINC001164940562 721926504 /nfs/dbraw/zinc/92/65/04/721926504.db2.gz TWTQAQZGFHOPEA-OAQYLSRUSA-N 1 1 462.598 2.602 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938680 721930203 /nfs/dbraw/zinc/93/02/03/721930203.db2.gz DQFXVBDXLYSHSE-MGBGTMOVSA-N 1 1 472.611 2.571 20 0 JFADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938680 721930206 /nfs/dbraw/zinc/93/02/06/721930206.db2.gz DQFXVBDXLYSHSE-MGBGTMOVSA-N 1 1 472.611 2.571 20 0 JFADMO CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946762 721974424 /nfs/dbraw/zinc/97/44/24/721974424.db2.gz KOXNVPCRENIVHC-UHFFFAOYSA-N 1 1 490.608 2.949 20 0 JFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945142 721976874 /nfs/dbraw/zinc/97/68/74/721976874.db2.gz DQXVBNZDXJZIAU-FPLPWBNLSA-N 1 1 459.550 2.720 20 0 JFADMO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945142 721976879 /nfs/dbraw/zinc/97/68/79/721976879.db2.gz DQXVBNZDXJZIAU-FPLPWBNLSA-N 1 1 459.550 2.720 20 0 JFADMO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165050542 721980506 /nfs/dbraw/zinc/98/05/06/721980506.db2.gz UURMGZRFIZCZAI-VWLOTQADSA-N 1 1 471.561 2.524 20 0 JFADMO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001165050542 721980509 /nfs/dbraw/zinc/98/05/09/721980509.db2.gz UURMGZRFIZCZAI-VWLOTQADSA-N 1 1 471.561 2.524 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164950876 721999945 /nfs/dbraw/zinc/99/99/45/721999945.db2.gz LFTXGEKZPXHRRS-AKIFATBCSA-N 1 1 476.606 2.658 20 0 JFADMO O=C(N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164950876 721999947 /nfs/dbraw/zinc/99/99/47/721999947.db2.gz LFTXGEKZPXHRRS-AKIFATBCSA-N 1 1 476.606 2.658 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](NC(=O)c4cccn4C)[C@H]4COC[C@H]43)c2c1C ZINC001164960096 722037457 /nfs/dbraw/zinc/03/74/57/722037457.db2.gz JGWPVDZFTFUYBZ-WSTZPKSXSA-N 1 1 480.638 2.876 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164960311 722047824 /nfs/dbraw/zinc/04/78/24/722047824.db2.gz UWTJFXZNWFOYAW-IPJJNNNSSA-N 1 1 495.624 2.824 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cccn4)c3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164961212 722050551 /nfs/dbraw/zinc/05/05/51/722050551.db2.gz WGCJHUKWBWXOTO-GOSISDBHSA-N 1 1 493.612 2.676 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cccn4)c3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164961212 722050553 /nfs/dbraw/zinc/05/05/53/722050553.db2.gz WGCJHUKWBWXOTO-GOSISDBHSA-N 1 1 493.612 2.676 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cccn4)c3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164961213 722050630 /nfs/dbraw/zinc/05/06/30/722050630.db2.gz WGCJHUKWBWXOTO-SFHVURJKSA-N 1 1 493.612 2.676 20 0 JFADMO CC(C)(C)C(=O)Nc1ccnc(N2CCc3onc(Cn4cccn4)c3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164961213 722050632 /nfs/dbraw/zinc/05/06/32/722050632.db2.gz WGCJHUKWBWXOTO-SFHVURJKSA-N 1 1 493.612 2.676 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)nc1 ZINC001164978653 722093774 /nfs/dbraw/zinc/09/37/74/722093774.db2.gz JBNHLDSBEKRSEX-GNXKAVGDSA-N 1 1 452.603 2.918 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 ZINC001164981935 722095498 /nfs/dbraw/zinc/09/54/98/722095498.db2.gz PNAIHXUYEMTEFB-AEFFLSMTSA-N 1 1 453.616 2.983 20 0 JFADMO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983937 722105326 /nfs/dbraw/zinc/10/53/26/722105326.db2.gz RHJUFUFWUZLVCE-DLBZAZTESA-N 1 1 452.937 2.863 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982701 722125177 /nfs/dbraw/zinc/12/51/77/722125177.db2.gz XSOPVADRLWCLLK-ROUUACIJSA-N 1 1 479.412 2.742 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974197 722144164 /nfs/dbraw/zinc/14/41/64/722144164.db2.gz CMNUEPWHSCHMKL-GMAHTHKFSA-N 1 1 473.643 2.528 20 0 JFADMO c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ncn3)CC2)cc1 ZINC001164985407 722148784 /nfs/dbraw/zinc/14/87/84/722148784.db2.gz ZJBUFTOCLZIJCC-AHWVRZQESA-N 1 1 485.636 2.926 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971104 722153413 /nfs/dbraw/zinc/15/34/13/722153413.db2.gz AQSBOCKIYATXQA-SJORKVTESA-N 1 1 452.937 2.863 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(=O)OCC ZINC001164977119 722157770 /nfs/dbraw/zinc/15/77/70/722157770.db2.gz XDTFCBMIPWXQFI-CTNGQTDRSA-N 1 1 468.554 2.557 20 0 JFADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c12 ZINC001164984517 722178238 /nfs/dbraw/zinc/17/82/38/722178238.db2.gz FCFXBXNTUMIGAI-ZWKOTPCHSA-N 1 1 456.572 2.769 20 0 JFADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164995861 722194964 /nfs/dbraw/zinc/19/49/64/722194964.db2.gz YYKLQKJJWMXHOA-AREMUKBSSA-N 1 1 482.604 2.534 20 0 JFADMO CC(C)N(c1cccc(N2CCN(C)CC2)n1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164997429 722220589 /nfs/dbraw/zinc/22/05/89/722220589.db2.gz DNNDERWTCPJLNK-UHFFFAOYSA-N 1 1 477.657 2.603 20 0 JFADMO COCCO[C@@H]1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164998243 722223423 /nfs/dbraw/zinc/22/34/23/722223423.db2.gz HKQJYKIEUUYYBI-JWQCQUIFSA-N 1 1 462.598 2.621 20 0 JFADMO COCCO[C@@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H]1Cc1cnn(C)c1 ZINC001164998243 722223426 /nfs/dbraw/zinc/22/34/26/722223426.db2.gz HKQJYKIEUUYYBI-JWQCQUIFSA-N 1 1 462.598 2.621 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001165001484 722236509 /nfs/dbraw/zinc/23/65/09/722236509.db2.gz GOAGOCQVAKTKNK-UHFFFAOYSA-N 1 1 481.988 2.607 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4cccnc4)nc4ccccc42)CC3)CC1 ZINC001165001731 722237033 /nfs/dbraw/zinc/23/70/33/722237033.db2.gz KQZHZOBZGSLFIT-UHFFFAOYSA-N 1 1 452.566 2.839 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)COC(=O)Nc2ccc(Cl)nc2)CC3)CC1 ZINC001165002221 722240129 /nfs/dbraw/zinc/24/01/29/722240129.db2.gz RGDCYITUXCPUAG-UHFFFAOYSA-N 1 1 481.935 2.519 20 0 JFADMO CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001299739981 1059477164 /nfs/dbraw/zinc/47/71/64/1059477164.db2.gz IYJGMOVVBPCBCJ-KHCICDEESA-N 1 1 464.655 2.700 20 0 JFADMO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000389801798 1059686226 /nfs/dbraw/zinc/68/62/26/1059686226.db2.gz KJEJCLIXMJWAQR-LLVKDONJSA-N 1 1 453.346 2.863 20 0 JFADMO CO[C@@H]1C[C@H](C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)N(C(=O)OCc2ccccc2)C1 ZINC001264874038 1059712671 /nfs/dbraw/zinc/71/26/71/1059712671.db2.gz LGEVBTXIMVVJSK-WUMKDDEVSA-N 1 1 451.567 2.976 20 0 JFADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cnnc(-c4ccccc4)c3)c2)CC1 ZINC001264942742 1059733907 /nfs/dbraw/zinc/73/39/07/1059733907.db2.gz FAGLUXIONRNXHF-UHFFFAOYSA-N 1 1 451.552 2.722 20 0 JFADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cnnc(-c4ccccc4)c3)c2)CC1 ZINC001264942742 1059733927 /nfs/dbraw/zinc/73/39/27/1059733927.db2.gz FAGLUXIONRNXHF-UHFFFAOYSA-N 1 1 451.552 2.722 20 0 JFADMO CCc1c(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)cnn1CCC(C)C ZINC001264953704 1059738108 /nfs/dbraw/zinc/73/81/08/1059738108.db2.gz QNXZPYIJQMDHBT-UHFFFAOYSA-N 1 1 454.619 2.954 20 0 JFADMO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001264960858 1059740657 /nfs/dbraw/zinc/74/06/57/1059740657.db2.gz FVQPMSALEZYMNP-IBGZPJMESA-N 1 1 451.995 2.906 20 0 JFADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@H](C)C1 ZINC001265127362 1059774857 /nfs/dbraw/zinc/77/48/57/1059774857.db2.gz ALTDLQIXKISFPN-KCOOYEKVSA-N 1 1 453.624 2.513 20 0 JFADMO C[NH+](C)[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC001265217801 1059797468 /nfs/dbraw/zinc/79/74/68/1059797468.db2.gz IMKRQNYTWFLPLJ-MRXNPFEDSA-N 1 1 455.930 2.758 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265246698 1059805154 /nfs/dbraw/zinc/80/51/54/1059805154.db2.gz CXMLDQXJLDDJFZ-SFHVURJKSA-N 1 1 453.568 2.653 20 0 JFADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001265393743 1059841396 /nfs/dbraw/zinc/84/13/96/1059841396.db2.gz HKLBZAAMPQBDCL-VQTJNVASSA-N 1 1 458.628 2.704 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001265393784 1059842302 /nfs/dbraw/zinc/84/23/02/1059842302.db2.gz IRYGYTIZWNABDH-HFRGRHLUSA-N 1 1 450.583 2.542 20 0 JFADMO C[C@H](NC(=O)c1cncc(I)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400118 1059843969 /nfs/dbraw/zinc/84/39/69/1059843969.db2.gz LSGNDWGKJAPFKA-KSSFIOAISA-N 1 1 451.308 2.706 20 0 JFADMO C[C@H](NC(=O)c1cncc(I)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400118 1059843992 /nfs/dbraw/zinc/84/39/92/1059843992.db2.gz LSGNDWGKJAPFKA-KSSFIOAISA-N 1 1 451.308 2.706 20 0 JFADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400701 1059844949 /nfs/dbraw/zinc/84/49/49/1059844949.db2.gz VGBPVAMDGGOMKU-JXFKEZNVSA-N 1 1 454.552 2.937 20 0 JFADMO C[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400701 1059844982 /nfs/dbraw/zinc/84/49/82/1059844982.db2.gz VGBPVAMDGGOMKU-JXFKEZNVSA-N 1 1 454.552 2.937 20 0 JFADMO Cc1c(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001265501717 1059873791 /nfs/dbraw/zinc/87/37/91/1059873791.db2.gz GLMHKVQMJDIUGM-UHFFFAOYSA-N 1 1 459.959 2.873 20 0 JFADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001265661221 1059905937 /nfs/dbraw/zinc/90/59/37/1059905937.db2.gz PPSSLDZTGQFSBU-FQEVSTJZSA-N 1 1 451.615 2.826 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)cc2)CC1 ZINC001265679936 1059909423 /nfs/dbraw/zinc/90/94/23/1059909423.db2.gz UCUJVCRZYKKQGV-JOCHJYFZSA-N 1 1 456.612 2.848 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=CC[C@@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001265681077 1059909497 /nfs/dbraw/zinc/90/94/97/1059909497.db2.gz GLVTXTSGGUCJCW-OAQYLSRUSA-N 1 1 456.587 2.945 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC001265681252 1059910025 /nfs/dbraw/zinc/91/00/25/1059910025.db2.gz LTGCBBDMFPKVOB-SFHVURJKSA-N 1 1 457.596 2.539 20 0 JFADMO CCN(CC)C(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001265876424 1059938071 /nfs/dbraw/zinc/93/80/71/1059938071.db2.gz DZIBFKYSYRZFDH-UHFFFAOYSA-N 1 1 450.027 2.752 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286838821 1061095924 /nfs/dbraw/zinc/09/59/24/1061095924.db2.gz OQDKFEGFPGACHN-OYRHEFFESA-N 1 1 487.693 2.719 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001286839588 1061097456 /nfs/dbraw/zinc/09/74/56/1061097456.db2.gz VIEDWGQCQKHDTP-NRFANRHFSA-N 1 1 490.052 2.820 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286846928 1061152905 /nfs/dbraw/zinc/15/29/05/1061152905.db2.gz FJRLQYBAJHMFKD-OAQYLSRUSA-N 1 1 454.619 2.669 20 0 JFADMO CC(=O)N1CCC(Cn2c(CC3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001286855020 1061207592 /nfs/dbraw/zinc/20/75/92/1061207592.db2.gz BTZMBKGPCLHEIT-UHFFFAOYSA-N 1 1 460.667 2.816 20 0 JFADMO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001286860692 1061228784 /nfs/dbraw/zinc/22/87/84/1061228784.db2.gz IJQSIDKTIZQVOW-UHFFFAOYSA-N 1 1 482.633 2.639 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC001289587178 1061231770 /nfs/dbraw/zinc/23/17/70/1061231770.db2.gz WOAFFEGQBRLEBI-LEWJYISDSA-N 1 1 472.634 2.944 20 0 JFADMO CC(=O)N1CCC[C@@H](Cn2c(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)nnc2C(C)(C)C)C1 ZINC001286861539 1061232211 /nfs/dbraw/zinc/23/22/11/1061232211.db2.gz NVMCWWKHAGNPQK-OAQYLSRUSA-N 1 1 470.666 2.507 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001289593948 1061236179 /nfs/dbraw/zinc/23/61/79/1061236179.db2.gz JNQFCWBTSQUWJH-BGYRXZFFSA-N 1 1 458.607 2.650 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001289599776 1061243654 /nfs/dbraw/zinc/24/36/54/1061243654.db2.gz FWCNXVCCSWWRJM-PMACEKPBSA-N 1 1 471.650 2.614 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC4CCCCC4)CC3)n2CC[N@H+](C)C(C)C)o1 ZINC001289600464 1061244971 /nfs/dbraw/zinc/24/49/71/1061244971.db2.gz LWXPLKXIFCYGRL-UHFFFAOYSA-N 1 1 471.650 2.758 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccccc2C[N@H+](C)C(C)C)o1 ZINC001289601413 1061246586 /nfs/dbraw/zinc/24/65/86/1061246586.db2.gz WWNMMLUEUQMWLL-UHFFFAOYSA-N 1 1 493.656 2.945 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@H+](C)C(C)C)cc1Br ZINC001289602543 1061248881 /nfs/dbraw/zinc/24/88/81/1061248881.db2.gz SRTZPNVGVCLWNE-KRWDZBQOSA-N 1 1 476.423 2.570 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286870539 1061266691 /nfs/dbraw/zinc/26/66/91/1061266691.db2.gz BXVPSWSMSZAZGQ-CTNGQTDRSA-N 1 1 488.608 2.583 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001286871425 1061271970 /nfs/dbraw/zinc/27/19/70/1061271970.db2.gz NZPIOFZAQCNMQL-WIYYLYMNSA-N 1 1 493.578 2.985 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@@H]2C)CC1 ZINC001286871704 1061274765 /nfs/dbraw/zinc/27/47/65/1061274765.db2.gz PDARXRGLFHPRIW-FXAWDEMLSA-N 1 1 490.603 2.631 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3nccc(C(F)F)n3)C[C@H]2C)CC1 ZINC001286871707 1061274964 /nfs/dbraw/zinc/27/49/64/1061274964.db2.gz PDARXRGLFHPRIW-YLJYHZDGSA-N 1 1 490.603 2.631 20 0 JFADMO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1 ZINC001289662198 1061282326 /nfs/dbraw/zinc/28/23/26/1061282326.db2.gz KKISZVZOWHMYCC-SFHVURJKSA-N 1 1 480.654 2.941 20 0 JFADMO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001289662302 1061282603 /nfs/dbraw/zinc/28/26/03/1061282603.db2.gz LNXWWSJFPRXYSM-OFNKIYASSA-N 1 1 497.669 2.598 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286881994 1061308072 /nfs/dbraw/zinc/30/80/72/1061308072.db2.gz HYIAKRMSPSCACP-QRVBRYPASA-N 1 1 490.599 2.703 20 0 JFADMO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)cc1 ZINC001289700604 1061312683 /nfs/dbraw/zinc/31/26/83/1061312683.db2.gz VWGCFOOFDYROOJ-OAQYLSRUSA-N 1 1 495.672 2.742 20 0 JFADMO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286884651 1061320310 /nfs/dbraw/zinc/32/03/10/1061320310.db2.gz DTPSCWUBSMQSRE-JOCHJYFZSA-N 1 1 454.619 2.689 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccnc4)n3CCSCC(F)(F)F)C[C@H]2C)CC1 ZINC001286886187 1061327729 /nfs/dbraw/zinc/32/77/29/1061327729.db2.gz BFAFIOKKFDBBGS-APWZRJJASA-N 1 1 497.591 2.624 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289721648 1061328758 /nfs/dbraw/zinc/32/87/58/1061328758.db2.gz NGKIDJMFJGPWQZ-YLJYHZDGSA-N 1 1 490.674 2.748 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289721648 1061328775 /nfs/dbraw/zinc/32/87/75/1061328775.db2.gz NGKIDJMFJGPWQZ-YLJYHZDGSA-N 1 1 490.674 2.748 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H]2CCCn3cc[nH+]c32)cc1C ZINC001289721607 1061328808 /nfs/dbraw/zinc/32/88/08/1061328808.db2.gz MPVOHTNNOJEGPK-ROUUACIJSA-N 1 1 464.574 2.621 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(C)O)C[C@@H]2C)CC1 ZINC001286886641 1061330506 /nfs/dbraw/zinc/33/05/06/1061330506.db2.gz GQNNPZJZZQAGMD-URXFXBBRSA-N 1 1 498.672 2.624 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886705 1061330783 /nfs/dbraw/zinc/33/07/83/1061330783.db2.gz HRVPQSJDUDYGBO-MVERNJQCSA-N 1 1 495.716 2.986 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCOc3ccc(F)c(F)c3)C[C@@H]2C)CC1 ZINC001286886772 1061331652 /nfs/dbraw/zinc/33/16/52/1061331652.db2.gz IMAPZVVXIUNXDI-JTSKRJEESA-N 1 1 490.599 2.922 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001286886850 1061332000 /nfs/dbraw/zinc/33/20/00/1061332000.db2.gz JPKWFPKGIJCWFQ-GBXCKJPGSA-N 1 1 483.661 2.843 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001286886852 1061332115 /nfs/dbraw/zinc/33/21/15/1061332115.db2.gz JPKWFPKGIJCWFQ-RDPSFJRHSA-N 1 1 483.661 2.843 20 0 JFADMO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886976 1061332751 /nfs/dbraw/zinc/33/27/51/1061332751.db2.gz LIEWYTHLPYXJSJ-RDGATRHJSA-N 1 1 481.689 2.912 20 0 JFADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886977 1061333044 /nfs/dbraw/zinc/33/30/44/1061333044.db2.gz LIEWYTHLPYXJSJ-WIOPSUGQSA-N 1 1 481.689 2.912 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289725501 1061333101 /nfs/dbraw/zinc/33/31/01/1061333101.db2.gz BYMDKTBHVNWAES-IBGZPJMESA-N 1 1 484.645 2.978 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC(=O)Nc3ccccc3)C[C@@H]2C)CC1 ZINC001286887180 1061334422 /nfs/dbraw/zinc/33/44/22/1061334422.db2.gz OLWOTIJXZRFPHZ-UGKGYDQZSA-N 1 1 481.645 2.593 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3cccs3)C[C@H]2C)CC1 ZINC001286887218 1061335135 /nfs/dbraw/zinc/33/51/35/1061335135.db2.gz PGMSRRMRJXFXGT-RQBNJVACSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001286887409 1061336381 /nfs/dbraw/zinc/33/63/81/1061336381.db2.gz QTZWDJYRQJUAOI-ZJSXRUAMSA-N 1 1 468.646 2.853 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC001286887857 1061339047 /nfs/dbraw/zinc/33/90/47/1061339047.db2.gz HAOPDTRDASTTFQ-JFJDKTSWSA-N 1 1 490.693 2.755 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286888400 1061341221 /nfs/dbraw/zinc/34/12/21/1061341221.db2.gz YKHXSSRBOFLMJN-AUSIDOKSSA-N 1 1 484.693 2.759 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@](C)(O)c3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286888439 1061341261 /nfs/dbraw/zinc/34/12/61/1061341261.db2.gz YULWAUFLLLYJBH-QRJOEMBSSA-N 1 1 489.064 2.951 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3Cc3cccc(OCC(C)C)c3)C[C@@H]2C)CC1 ZINC001286888460 1061341537 /nfs/dbraw/zinc/34/15/37/1061341537.db2.gz YYJCAJCTHSIEAJ-YADARESESA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001286888785 1061344354 /nfs/dbraw/zinc/34/43/54/1061344354.db2.gz FUPGVVDPCGZGKB-LJQANCHMSA-N 1 1 461.010 2.625 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001289737678 1061350147 /nfs/dbraw/zinc/35/01/47/1061350147.db2.gz GQTQACPSDPANGT-OAQYLSRUSA-N 1 1 499.641 2.756 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2NC(=O)CC2(C)C)cc1C ZINC001289739704 1061353490 /nfs/dbraw/zinc/35/34/90/1061353490.db2.gz KGOSNFZKDZLIOJ-NRFANRHFSA-N 1 1 481.645 2.982 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001289740235 1061354274 /nfs/dbraw/zinc/35/42/74/1061354274.db2.gz MCWDGPKFKXSJPW-FQEVSTJZSA-N 1 1 478.601 2.834 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289741238 1061356437 /nfs/dbraw/zinc/35/64/37/1061356437.db2.gz TZQVHECFLJHTFC-FXAWDEMLSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)CCCOc2ccc(F)cc2)CC1 ZINC001286891665 1061361778 /nfs/dbraw/zinc/36/17/78/1061361778.db2.gz MLNWTZUGWUGJNG-UHFFFAOYSA-N 1 1 481.576 2.549 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001286892540 1061365237 /nfs/dbraw/zinc/36/52/37/1061365237.db2.gz WRVWFWUAIGDKBQ-KRWDZBQOSA-N 1 1 467.952 2.639 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC001286893431 1061369091 /nfs/dbraw/zinc/36/90/91/1061369091.db2.gz NUVIMFHIPYJGKY-UHFFFAOYSA-N 1 1 481.626 2.807 20 0 JFADMO Cc1ccc(NC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@H+]3CCCO)CC2)nc1 ZINC001289750319 1061371623 /nfs/dbraw/zinc/37/16/23/1061371623.db2.gz FGRVHGZJDXEBGJ-JOCHJYFZSA-N 1 1 483.661 2.882 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001289752733 1061374583 /nfs/dbraw/zinc/37/45/83/1061374583.db2.gz DIYUTZFYDMHJES-FQEVSTJZSA-N 1 1 463.586 2.753 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001289752733 1061374600 /nfs/dbraw/zinc/37/46/00/1061374600.db2.gz DIYUTZFYDMHJES-FQEVSTJZSA-N 1 1 463.586 2.753 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001286895678 1061376110 /nfs/dbraw/zinc/37/61/10/1061376110.db2.gz YOGBNEQFVULYNB-CPJSRVTESA-N 1 1 495.672 2.862 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286899327 1061388223 /nfs/dbraw/zinc/38/82/23/1061388223.db2.gz RNHCPEXRJXUIBZ-KDURUIRLSA-N 1 1 465.602 2.836 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286899327 1061388242 /nfs/dbraw/zinc/38/82/42/1061388242.db2.gz RNHCPEXRJXUIBZ-KDURUIRLSA-N 1 1 465.602 2.836 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286900475 1061392247 /nfs/dbraw/zinc/39/22/47/1061392247.db2.gz IBRXDMOJGGHUBE-QIHGHFSNSA-N 1 1 476.666 2.903 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001289772159 1061393071 /nfs/dbraw/zinc/39/30/71/1061393071.db2.gz FNKVRJZBRZWBBF-MOPGFXCFSA-N 1 1 461.632 2.519 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001286902266 1061396938 /nfs/dbraw/zinc/39/69/38/1061396938.db2.gz MKPPUXDLVOEZCZ-VHYCJAOWSA-N 1 1 468.646 2.900 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286902415 1061397588 /nfs/dbraw/zinc/39/75/88/1061397588.db2.gz AAXNUOSWWWXQSN-JABWIYMSSA-N 1 1 476.666 2.557 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2(O)CCOCC2)cc1C ZINC001289788899 1061415637 /nfs/dbraw/zinc/41/56/37/1061415637.db2.gz ZJOPYGMLCBCONL-UHFFFAOYSA-N 1 1 487.645 2.562 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2(O)CCOCC2)cc1C ZINC001289788899 1061415647 /nfs/dbraw/zinc/41/56/47/1061415647.db2.gz ZJOPYGMLCBCONL-UHFFFAOYSA-N 1 1 487.645 2.562 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286905306 1061418158 /nfs/dbraw/zinc/41/81/58/1061418158.db2.gz MWGOGTHKAJWRAY-TZIWHRDSSA-N 1 1 482.633 2.685 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286905626 1061420507 /nfs/dbraw/zinc/42/05/07/1061420507.db2.gz UUHJAEPOQPVDCP-OAQYLSRUSA-N 1 1 490.052 2.697 20 0 JFADMO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792121 1061423491 /nfs/dbraw/zinc/42/34/91/1061423491.db2.gz KLWSHTCVUVGSHP-ZWKOTPCHSA-N 1 1 462.545 2.528 20 0 JFADMO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792119 1061423526 /nfs/dbraw/zinc/42/35/26/1061423526.db2.gz KLWSHTCVUVGSHP-QZTJIDSGSA-N 1 1 462.545 2.528 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289792462 1061425595 /nfs/dbraw/zinc/42/55/95/1061425595.db2.gz UZKYGFUIVAHPKC-FDFHNCONSA-N 1 1 484.645 2.640 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286907355 1061436626 /nfs/dbraw/zinc/43/66/26/1061436626.db2.gz QWDMDKMHANAPPU-OXQOHEQNSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286907355 1061436636 /nfs/dbraw/zinc/43/66/36/1061436636.db2.gz QWDMDKMHANAPPU-OXQOHEQNSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286908077 1061440710 /nfs/dbraw/zinc/44/07/10/1061440710.db2.gz XQMNUDAUGURFLR-CRAIPNDOSA-N 1 1 464.973 2.563 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286908077 1061440712 /nfs/dbraw/zinc/44/07/12/1061440712.db2.gz XQMNUDAUGURFLR-CRAIPNDOSA-N 1 1 464.973 2.563 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001289812247 1061461692 /nfs/dbraw/zinc/46/16/92/1061461692.db2.gz OGUKGFJXGRLWLX-DEOSSOPVSA-N 1 1 475.659 2.911 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286911720 1061464776 /nfs/dbraw/zinc/46/47/76/1061464776.db2.gz KUWXQGOZGHMXGN-ILBGXUMGSA-N 1 1 498.672 2.936 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001289819107 1061477895 /nfs/dbraw/zinc/47/78/95/1061477895.db2.gz PDLXOBRCAMYBRU-OAQYLSRUSA-N 1 1 475.659 2.829 20 0 JFADMO CC(=O)NC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286916669 1061500870 /nfs/dbraw/zinc/50/08/70/1061500870.db2.gz PVDGEKIPWYHRPI-AREMUKBSSA-N 1 1 484.645 2.556 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289827700 1061503500 /nfs/dbraw/zinc/50/35/00/1061503500.db2.gz JVCXORXLAPBWRP-GGAORHGYSA-N 1 1 457.619 2.995 20 0 JFADMO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286918449 1061506258 /nfs/dbraw/zinc/50/62/58/1061506258.db2.gz FDSXLUWOQXBKBI-QHCPKHFHSA-N 1 1 489.064 2.984 20 0 JFADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@@H]2C1 ZINC001289852184 1061524513 /nfs/dbraw/zinc/52/45/13/1061524513.db2.gz XMNHEYZXYACMHL-UHTWSYAYSA-N 1 1 453.362 2.750 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc[nH+]c2C)C1 ZINC001286925484 1061534698 /nfs/dbraw/zinc/53/46/98/1061534698.db2.gz HUNBIIRKBNZYFL-PWRODBHTSA-N 1 1 457.623 2.754 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001286927289 1061544575 /nfs/dbraw/zinc/54/45/75/1061544575.db2.gz ITSCUPYANVUPNF-QHCPKHFHSA-N 1 1 468.646 2.527 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC(=O)N2)cc1 ZINC001289864052 1061547703 /nfs/dbraw/zinc/54/77/03/1061547703.db2.gz TYLLUFMJKJYEIB-HSALFYBXSA-N 1 1 472.659 2.703 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H]2CCC(=O)N2)cc1 ZINC001289864052 1061547719 /nfs/dbraw/zinc/54/77/19/1061547719.db2.gz TYLLUFMJKJYEIB-HSALFYBXSA-N 1 1 472.659 2.703 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[N@H+](C)C(C)C)C1 ZINC001286928538 1061548826 /nfs/dbraw/zinc/54/88/26/1061548826.db2.gz PWWOZMKAHUAFCJ-NZQKXSOJSA-N 1 1 470.618 2.873 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289875310 1061557620 /nfs/dbraw/zinc/55/76/20/1061557620.db2.gz IFIHMKWHVWXRGB-HXUWFJFHSA-N 1 1 492.715 2.835 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289878679 1061563099 /nfs/dbraw/zinc/56/30/99/1061563099.db2.gz ISXLPIBHRZFOPI-NHCUHLMSSA-N 1 1 486.686 2.903 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001286933889 1061567162 /nfs/dbraw/zinc/56/71/62/1061567162.db2.gz BPFAIKIMEFEQGC-FQEVSTJZSA-N 1 1 454.619 2.736 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286933965 1061567548 /nfs/dbraw/zinc/56/75/48/1061567548.db2.gz CDZGODDTRROEFI-RUZDIDTESA-N 1 1 482.673 2.887 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CCN(CC[NH+](C)C)CC2)CCO1 ZINC001294093599 1061572717 /nfs/dbraw/zinc/57/27/17/1061572717.db2.gz GBZBYUFWXKNJMQ-QFIPXVFZSA-N 1 1 475.707 2.913 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC[N@H+]1CCOC ZINC001294098053 1061577517 /nfs/dbraw/zinc/57/75/17/1061577517.db2.gz RMFSVNFLZWAGMY-LJQANCHMSA-N 1 1 458.636 2.582 20 0 JFADMO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC[N@H+]1CCOC ZINC001294098052 1061577577 /nfs/dbraw/zinc/57/75/77/1061577577.db2.gz RMFSVNFLZWAGMY-IBGZPJMESA-N 1 1 458.636 2.582 20 0 JFADMO CC(=O)Nc1ccc(F)c(C(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001294104065 1061583859 /nfs/dbraw/zinc/58/38/59/1061583859.db2.gz YUOQCXVIFFSWSN-UHFFFAOYSA-N 1 1 454.546 2.885 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001289908393 1061597276 /nfs/dbraw/zinc/59/72/76/1061597276.db2.gz GFOGRLCKHKGGHO-RXVVDRJESA-N 1 1 456.616 2.821 20 0 JFADMO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294121418 1061602389 /nfs/dbraw/zinc/60/23/89/1061602389.db2.gz WSXCQPDHNFLRIE-QFIPXVFZSA-N 1 1 470.618 2.895 20 0 JFADMO CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286944047 1061608449 /nfs/dbraw/zinc/60/84/49/1061608449.db2.gz BDGYCQGQMIWXKA-IBGZPJMESA-N 1 1 498.607 2.529 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001289917664 1061610495 /nfs/dbraw/zinc/61/04/95/1061610495.db2.gz TXCKMWOVFCXWBQ-ASPBEGMCSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001289917664 1061610498 /nfs/dbraw/zinc/61/04/98/1061610498.db2.gz TXCKMWOVFCXWBQ-ASPBEGMCSA-N 1 1 468.627 2.743 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001289932944 1061626750 /nfs/dbraw/zinc/62/67/50/1061626750.db2.gz XJNJFTYNHBACSF-UHFFFAOYSA-N 1 1 491.640 2.737 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286945945 1061628976 /nfs/dbraw/zinc/62/89/76/1061628976.db2.gz NTHVUOUCNOLQNX-GBXCKJPGSA-N 1 1 468.646 2.873 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001289947782 1061638044 /nfs/dbraw/zinc/63/80/44/1061638044.db2.gz KZAIERTXVVPWCK-HOTGVXAUSA-N 1 1 465.524 2.636 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001289947784 1061638107 /nfs/dbraw/zinc/63/81/07/1061638107.db2.gz KZAIERTXVVPWCK-JKSUJKDBSA-N 1 1 465.524 2.636 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCC(C)(C)O)n1 ZINC001289955431 1061652828 /nfs/dbraw/zinc/65/28/28/1061652828.db2.gz SJFWCDPXCMDPBE-UHFFFAOYSA-N 1 1 455.651 2.804 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)(C)C)n1 ZINC001289973087 1061684093 /nfs/dbraw/zinc/68/40/93/1061684093.db2.gz QEIPJASIDOJUCS-UHFFFAOYSA-N 1 1 469.634 2.598 20 0 JFADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CCOC(C)(C)C)n1 ZINC001289973087 1061684118 /nfs/dbraw/zinc/68/41/18/1061684118.db2.gz QEIPJASIDOJUCS-UHFFFAOYSA-N 1 1 469.634 2.598 20 0 JFADMO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286950882 1061685155 /nfs/dbraw/zinc/68/51/55/1061685155.db2.gz ATGGSSMXWIKATR-TYPHKJRUSA-N 1 1 489.665 2.592 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001294188765 1061698147 /nfs/dbraw/zinc/69/81/47/1061698147.db2.gz GGUGJMFLTZZIKB-OAQYLSRUSA-N 1 1 459.587 2.959 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC001294189302 1061698266 /nfs/dbraw/zinc/69/82/66/1061698266.db2.gz KEHVSETUZFYXPF-SFHVURJKSA-N 1 1 458.356 2.907 20 0 JFADMO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC001294189508 1061699631 /nfs/dbraw/zinc/69/96/31/1061699631.db2.gz MFNGRHVOPNQRNT-SFHVURJKSA-N 1 1 451.976 2.868 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001289979166 1061699673 /nfs/dbraw/zinc/69/96/73/1061699673.db2.gz IXGUACXVVLMCTI-OAQYLSRUSA-N 1 1 498.676 2.516 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980354 1061701696 /nfs/dbraw/zinc/70/16/96/1061701696.db2.gz WKQQDZHWIGNICX-KRWDZBQOSA-N 1 1 483.564 2.644 20 0 JFADMO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286953707 1061701794 /nfs/dbraw/zinc/70/17/94/1061701794.db2.gz UFWDMYPIGWHMHB-LJQANCHMSA-N 1 1 456.639 2.686 20 0 JFADMO C[C@H]1C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@H+]1C ZINC001294202033 1061708327 /nfs/dbraw/zinc/70/83/27/1061708327.db2.gz PQVTWTYKWPDQML-LPHOPBHVSA-N 1 1 459.568 2.861 20 0 JFADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 ZINC001294204851 1061709371 /nfs/dbraw/zinc/70/93/71/1061709371.db2.gz MQYGPXSYXWLDHA-OAHLLOKOSA-N 1 1 457.356 2.542 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985611 1061710278 /nfs/dbraw/zinc/71/02/78/1061710278.db2.gz NULFJDGDOCVRRJ-CTNGQTDRSA-N 1 1 485.633 2.719 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)n1 ZINC001289985611 1061710303 /nfs/dbraw/zinc/71/03/03/1061710303.db2.gz NULFJDGDOCVRRJ-CTNGQTDRSA-N 1 1 485.633 2.719 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001289986620 1061712273 /nfs/dbraw/zinc/71/22/73/1061712273.db2.gz YUYMPNBFRWEIKU-ZRZAMGCNSA-N 1 1 496.704 2.806 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001294209051 1061712727 /nfs/dbraw/zinc/71/27/27/1061712727.db2.gz NFFVPIMMXRRXHR-GOSISDBHSA-N 1 1 495.719 2.591 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294209639 1061712773 /nfs/dbraw/zinc/71/27/73/1061712773.db2.gz XKIXVNXOTGMBLM-UHFFFAOYSA-N 1 1 469.556 2.910 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001294209866 1061713887 /nfs/dbraw/zinc/71/38/87/1061713887.db2.gz CBQWGGOWEFUHJL-OAQYLSRUSA-N 1 1 458.582 2.963 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286956970 1061718094 /nfs/dbraw/zinc/71/80/94/1061718094.db2.gz DKSAJIHJJSLDID-UHFFFAOYSA-N 1 1 497.669 2.964 20 0 JFADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286956970 1061718114 /nfs/dbraw/zinc/71/81/14/1061718114.db2.gz DKSAJIHJJSLDID-UHFFFAOYSA-N 1 1 497.669 2.964 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294213995 1061721682 /nfs/dbraw/zinc/72/16/82/1061721682.db2.gz FJWNOUZBGWFDMP-MRXNPFEDSA-N 1 1 487.468 2.781 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 ZINC001294214297 1061722712 /nfs/dbraw/zinc/72/27/12/1061722712.db2.gz GNAJBGMOPLDVAK-INIZCTEOSA-N 1 1 454.666 2.635 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294215103 1061724932 /nfs/dbraw/zinc/72/49/32/1061724932.db2.gz QHGXLYMUYAAOAF-ZWKOTPCHSA-N 1 1 459.570 2.503 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1CCn1cc[nH+]c1C ZINC001286958437 1061725022 /nfs/dbraw/zinc/72/50/22/1061725022.db2.gz MXSKVMPSQZRQDG-FQEVSTJZSA-N 1 1 457.604 2.929 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C ZINC001294217034 1061727439 /nfs/dbraw/zinc/72/74/39/1061727439.db2.gz OPVAYFDWTAUFKU-SFHVURJKSA-N 1 1 480.704 2.869 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001286959011 1061727857 /nfs/dbraw/zinc/72/78/57/1061727857.db2.gz RKSIJFZYOPMIKK-UEXGIBASSA-N 1 1 487.674 2.554 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294217396 1061727890 /nfs/dbraw/zinc/72/78/90/1061727890.db2.gz GTCLOMCUVSQLOJ-ICSRJNTNSA-N 1 1 459.547 2.808 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001294219590 1061730970 /nfs/dbraw/zinc/73/09/70/1061730970.db2.gz JWIIPFKCNDBUDN-GOSISDBHSA-N 1 1 453.595 2.647 20 0 JFADMO O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001290007547 1061731927 /nfs/dbraw/zinc/73/19/27/1061731927.db2.gz IJUKRNLDQDLJJD-QFIPXVFZSA-N 1 1 455.427 2.668 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001294221950 1061732639 /nfs/dbraw/zinc/73/26/39/1061732639.db2.gz XXFBQSMIFILEAS-UHFFFAOYSA-N 1 1 480.592 2.959 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1 ZINC001294224194 1061734086 /nfs/dbraw/zinc/73/40/86/1061734086.db2.gz PVYJZHQSCWELPL-QGZVFWFLSA-N 1 1 455.632 2.866 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC(NC(C)=O)CC1 ZINC001294223990 1061734129 /nfs/dbraw/zinc/73/41/29/1061734129.db2.gz NGSOGRUGDYGBBZ-UHFFFAOYSA-N 1 1 494.644 2.512 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001294223696 1061734364 /nfs/dbraw/zinc/73/43/64/1061734364.db2.gz JAYJJTAAYUOQSU-QHCPKHFHSA-N 1 1 472.682 2.924 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224412 1061734793 /nfs/dbraw/zinc/73/47/93/1061734793.db2.gz SZJMKUDMTDFWLW-CTNGQTDRSA-N 1 1 472.638 2.649 20 0 JFADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001290014470 1061736980 /nfs/dbraw/zinc/73/69/80/1061736980.db2.gz SAMOZBINROOLEC-MJGOQNOKSA-N 1 1 454.999 2.724 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001294225760 1061737271 /nfs/dbraw/zinc/73/72/71/1061737271.db2.gz HTICVKDMLBVMOO-OAQYLSRUSA-N 1 1 454.619 2.913 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294225991 1061738073 /nfs/dbraw/zinc/73/80/73/1061738073.db2.gz KZGPNUSMOZKFJI-IBGZPJMESA-N 1 1 450.628 2.961 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001294227134 1061741161 /nfs/dbraw/zinc/74/11/61/1061741161.db2.gz ATHBPKYSESIIEI-WIYYLYMNSA-N 1 1 461.680 2.523 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294229290 1061745798 /nfs/dbraw/zinc/74/57/98/1061745798.db2.gz XEFMHXONZLWDAX-UHFFFAOYSA-N 1 1 472.588 2.939 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001294229788 1061746387 /nfs/dbraw/zinc/74/63/87/1061746387.db2.gz RXCHEBOGQRPUCC-BGYRXZFFSA-N 1 1 491.681 2.743 20 0 JFADMO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CC[S@](=O)C(C)(C)C)CC2)c1 ZINC001290033218 1061749055 /nfs/dbraw/zinc/74/90/55/1061749055.db2.gz DWGFYFVDGWHTEY-UMSFTDKQSA-N 1 1 486.686 2.692 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286974447 1061768479 /nfs/dbraw/zinc/76/84/79/1061768479.db2.gz FYGGNSNLLKHKFJ-NHCUHLMSSA-N 1 1 496.681 2.970 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286974447 1061768503 /nfs/dbraw/zinc/76/85/03/1061768503.db2.gz FYGGNSNLLKHKFJ-NHCUHLMSSA-N 1 1 496.681 2.970 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286974448 1061769228 /nfs/dbraw/zinc/76/92/28/1061769228.db2.gz FYGGNSNLLKHKFJ-RTWAWAEBSA-N 1 1 496.681 2.970 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286974448 1061769241 /nfs/dbraw/zinc/76/92/41/1061769241.db2.gz FYGGNSNLLKHKFJ-RTWAWAEBSA-N 1 1 496.681 2.970 20 0 JFADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCN(C)CC(F)(F)F)c1 ZINC001290054906 1061774875 /nfs/dbraw/zinc/77/48/75/1061774875.db2.gz LZCBYNZQSNVDHN-TZIWHRDSSA-N 1 1 496.578 2.817 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290060047 1061780488 /nfs/dbraw/zinc/78/04/88/1061780488.db2.gz PSKDVDVLAVMXDL-UHFFFAOYSA-N 1 1 498.672 2.971 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001286976329 1061783410 /nfs/dbraw/zinc/78/34/10/1061783410.db2.gz DEIRSKQUWCELBO-HBFSDRIKSA-N 1 1 475.663 2.790 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001294309362 1061799038 /nfs/dbraw/zinc/79/90/38/1061799038.db2.gz VXIGVHDTWFSVFQ-PWRODBHTSA-N 1 1 496.722 2.674 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294309936 1061799933 /nfs/dbraw/zinc/79/99/33/1061799933.db2.gz CZRSTJZAMGYUFN-HKUYNNGSSA-N 1 1 496.582 2.838 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294310744 1061801604 /nfs/dbraw/zinc/80/16/04/1061801604.db2.gz JAUOAZZRUOINSC-RTWAWAEBSA-N 1 1 491.706 2.704 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001294312041 1061803417 /nfs/dbraw/zinc/80/34/17/1061803417.db2.gz SBSKTEPKLVZLNS-QRVBRYPASA-N 1 1 485.599 2.957 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001294315557 1061807627 /nfs/dbraw/zinc/80/76/27/1061807627.db2.gz KHOWUEXXWBTYAK-QFIPXVFZSA-N 1 1 459.683 2.630 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294316766 1061811326 /nfs/dbraw/zinc/81/13/26/1061811326.db2.gz RIDDPBSYGKKNJE-JOCHJYFZSA-N 1 1 453.635 2.977 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294316598 1061811467 /nfs/dbraw/zinc/81/14/67/1061811467.db2.gz HOWLAPWMKXPALI-RTWAWAEBSA-N 1 1 457.623 2.794 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294318969 1061820559 /nfs/dbraw/zinc/82/05/59/1061820559.db2.gz XPELATLUQKFFJR-FGZHOGPDSA-N 1 1 487.693 2.796 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294319418 1061821940 /nfs/dbraw/zinc/82/19/40/1061821940.db2.gz ZIUZISXVZREZMK-DNRQZRRGSA-N 1 1 476.666 2.640 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001294322687 1061826732 /nfs/dbraw/zinc/82/67/32/1061826732.db2.gz UEAJOQPTLXMEDW-RCZVLFRGSA-N 1 1 481.689 2.926 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294322032 1061826756 /nfs/dbraw/zinc/82/67/56/1061826756.db2.gz PKLOMPFNKVBPCP-RGZWJVDOSA-N 1 1 490.052 2.581 20 0 JFADMO CC(C)(C)OC(=O)N[C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC001290096778 1061828898 /nfs/dbraw/zinc/82/88/98/1061828898.db2.gz BCFLGXCRQAKSLJ-KRWDZBQOSA-N 1 1 456.381 2.853 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001286983020 1061831646 /nfs/dbraw/zinc/83/16/46/1061831646.db2.gz VBDSWOWOQQOBIZ-UWVAXJGDSA-N 1 1 484.066 2.703 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(=O)NCc1ccco1 ZINC001290102876 1061832382 /nfs/dbraw/zinc/83/23/82/1061832382.db2.gz ILKRDIAPQPESFI-UHFFFAOYSA-N 1 1 480.613 2.958 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294325095 1061832758 /nfs/dbraw/zinc/83/27/58/1061832758.db2.gz JDHINGUNHXVERT-VSKRKVRLSA-N 1 1 498.676 2.613 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001286983181 1061833114 /nfs/dbraw/zinc/83/31/14/1061833114.db2.gz RJGQPFGFZSDGJA-QRVBRYPASA-N 1 1 488.658 2.531 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001290106921 1061834682 /nfs/dbraw/zinc/83/46/82/1061834682.db2.gz GYKCWMPHFNCWLZ-BGYRXZFFSA-N 1 1 475.659 2.624 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC1CCS(=O)(=O)CC1 ZINC001290106921 1061834697 /nfs/dbraw/zinc/83/46/97/1061834697.db2.gz GYKCWMPHFNCWLZ-BGYRXZFFSA-N 1 1 475.659 2.624 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290106737 1061834757 /nfs/dbraw/zinc/83/47/57/1061834757.db2.gz DFJAESYVEXMVPK-JOCHJYFZSA-N 1 1 464.618 2.529 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294326084 1061834982 /nfs/dbraw/zinc/83/49/82/1061834982.db2.gz PNHJGBUTBFAVQA-UXHICEINSA-N 1 1 471.650 2.905 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294326084 1061834994 /nfs/dbraw/zinc/83/49/94/1061834994.db2.gz PNHJGBUTBFAVQA-UXHICEINSA-N 1 1 471.650 2.905 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294327553 1061842986 /nfs/dbraw/zinc/84/29/86/1061842986.db2.gz ARLAQONVDAZVML-AFXVXQJMSA-N 1 1 490.693 2.804 20 0 JFADMO Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@H](O)CN3C(=O)OCc3ccccc3)CC2)c1 ZINC001290115025 1061843696 /nfs/dbraw/zinc/84/36/96/1061843696.db2.gz HGHYYSNFHNXSFE-OZXSUGGESA-N 1 1 451.567 2.801 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001290114200 1061843736 /nfs/dbraw/zinc/84/37/36/1061843736.db2.gz WGVXHYZMRBMRTQ-UHFFFAOYSA-N 1 1 454.619 2.669 20 0 JFADMO Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)c1 ZINC001290115023 1061843939 /nfs/dbraw/zinc/84/39/39/1061843939.db2.gz HGHYYSNFHNXSFE-BVAGGSTKSA-N 1 1 451.567 2.801 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290120747 1061850997 /nfs/dbraw/zinc/85/09/97/1061850997.db2.gz QSVUCEPZEQKFOV-NRFANRHFSA-N 1 1 454.619 2.845 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001290128214 1061859203 /nfs/dbraw/zinc/85/92/03/1061859203.db2.gz AOZVLTVZSCPOJF-HSZRJFAPSA-N 1 1 481.689 2.832 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001290133831 1061869044 /nfs/dbraw/zinc/86/90/44/1061869044.db2.gz XGOSAKFFLHCPAV-SFHVURJKSA-N 1 1 452.525 2.659 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001290133831 1061869062 /nfs/dbraw/zinc/86/90/62/1061869062.db2.gz XGOSAKFFLHCPAV-SFHVURJKSA-N 1 1 452.525 2.659 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001294335844 1061872973 /nfs/dbraw/zinc/87/29/73/1061872973.db2.gz RODVWAJABGLGMV-VXKWHMMOSA-N 1 1 487.693 2.911 20 0 JFADMO CC(C)(C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001286988316 1061874626 /nfs/dbraw/zinc/87/46/26/1061874626.db2.gz OUFUIJUPBKNNGZ-JOCHJYFZSA-N 1 1 484.645 2.883 20 0 JFADMO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001290141522 1061876349 /nfs/dbraw/zinc/87/63/49/1061876349.db2.gz YYFCIGSDYRCEHA-PZJWPPBQSA-N 1 1 454.619 2.687 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290144598 1061879864 /nfs/dbraw/zinc/87/98/64/1061879864.db2.gz BYNVVKPHMRCSBZ-SLFFLAALSA-N 1 1 456.635 2.765 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CCOCCCO)cc1 ZINC001286989471 1061881044 /nfs/dbraw/zinc/88/10/44/1061881044.db2.gz JCXWNYVHZDTGLD-OAQYLSRUSA-N 1 1 471.646 2.800 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001294341774 1061890966 /nfs/dbraw/zinc/89/09/66/1061890966.db2.gz JZVAMEUGQYSRPE-PZJWPPBQSA-N 1 1 456.639 2.686 20 0 JFADMO CC(C)(C)c1ccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CC(=O)NCC(F)F)cc1 ZINC001286991963 1061893159 /nfs/dbraw/zinc/89/31/59/1061893159.db2.gz YPUXXMPUKGYYTC-SFHVURJKSA-N 1 1 490.599 2.782 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCCN1CCOC1=O ZINC001290153740 1061894944 /nfs/dbraw/zinc/89/49/44/1061894944.db2.gz WIPPHWKHZBSRRA-UHFFFAOYSA-N 1 1 470.618 2.567 20 0 JFADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCCN1CCOC1=O ZINC001290153740 1061894971 /nfs/dbraw/zinc/89/49/71/1061894971.db2.gz WIPPHWKHZBSRRA-UHFFFAOYSA-N 1 1 470.618 2.567 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCCn1cnnn1 ZINC001290163905 1061902795 /nfs/dbraw/zinc/90/27/95/1061902795.db2.gz BLQLMTKGNARDSW-UHFFFAOYSA-N 1 1 451.623 2.811 20 0 JFADMO CC(C)(C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998367 1061911204 /nfs/dbraw/zinc/91/12/04/1061911204.db2.gz QWDGZRKFRUSEPG-NRFANRHFSA-N 1 1 480.455 2.926 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001287004213 1061921973 /nfs/dbraw/zinc/92/19/73/1061921973.db2.gz GAGRCIFUSMDUDO-VXKWHMMOSA-N 1 1 489.686 2.594 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCn2cc[nH+]c2C)CC1 ZINC001294357347 1061925910 /nfs/dbraw/zinc/92/59/10/1061925910.db2.gz KHNYNLBGEKOMIX-UHFFFAOYSA-N 1 1 450.591 2.602 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001287006547 1061927373 /nfs/dbraw/zinc/92/73/73/1061927373.db2.gz GCOOQJLGYSYZGM-HXUWFJFHSA-N 1 1 466.696 2.844 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287007121 1061929991 /nfs/dbraw/zinc/92/99/91/1061929991.db2.gz QOHDBZYHCMMSLR-OAQYLSRUSA-N 1 1 492.665 2.851 20 0 JFADMO Cc1ccccc1CCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001290185820 1061930988 /nfs/dbraw/zinc/93/09/88/1061930988.db2.gz HWWLHSUJSBNCSH-UHFFFAOYSA-N 1 1 468.646 2.746 20 0 JFADMO CC(C)(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCN1CCSCC1 ZINC001287010569 1061941588 /nfs/dbraw/zinc/94/15/88/1061941588.db2.gz MLRZQYVIZKNKHQ-UHFFFAOYSA-N 1 1 478.629 2.715 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCC(C)(C)O)cc1OC ZINC001294372582 1061941750 /nfs/dbraw/zinc/94/17/50/1061941750.db2.gz JQSBVXKDTMIBIY-HXUWFJFHSA-N 1 1 473.618 2.814 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCC(C)(C)O)cc1OC ZINC001294372582 1061941770 /nfs/dbraw/zinc/94/17/70/1061941770.db2.gz JQSBVXKDTMIBIY-HXUWFJFHSA-N 1 1 473.618 2.814 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294374332 1061947161 /nfs/dbraw/zinc/94/71/61/1061947161.db2.gz OGPUBWUAWZFUGM-YIGJPRQDSA-N 1 1 461.582 2.993 20 0 JFADMO CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294377476 1061950883 /nfs/dbraw/zinc/95/08/83/1061950883.db2.gz RTZMNQZEQQAYNS-NRFANRHFSA-N 1 1 469.634 2.767 20 0 JFADMO CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294377479 1061951085 /nfs/dbraw/zinc/95/10/85/1061951085.db2.gz RTZMNQZEQQAYNS-OAQYLSRUSA-N 1 1 469.634 2.767 20 0 JFADMO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001290217852 1061963071 /nfs/dbraw/zinc/96/30/71/1061963071.db2.gz MVEILQPXXZPQMZ-FQEVSTJZSA-N 1 1 474.675 2.953 20 0 JFADMO Cc1cccnc1Cn1c(N2CC[NH+](CCOC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001290230054 1061978932 /nfs/dbraw/zinc/97/89/32/1061978932.db2.gz XTTKAPOFGNILIA-RUZDIDTESA-N 1 1 472.634 2.617 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001287030065 1061979656 /nfs/dbraw/zinc/97/96/56/1061979656.db2.gz IPAMUMXJXPSDRF-FCHUYYIVSA-N 1 1 468.646 2.860 20 0 JFADMO C[C@@H]1C[N@H+](CCCCNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414288 1061979912 /nfs/dbraw/zinc/97/99/12/1061979912.db2.gz JPVZEZIWQKRCTK-IXFSTUDKSA-N 1 1 452.596 2.538 20 0 JFADMO CC1=CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001290231829 1061980088 /nfs/dbraw/zinc/98/00/88/1061980088.db2.gz ZSXPGUAVEOTROG-CEXWTWQISA-N 1 1 452.669 2.801 20 0 JFADMO O=C(CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)CC1)Nc1ccccc1Cl ZINC001290236020 1061982647 /nfs/dbraw/zinc/98/26/47/1061982647.db2.gz VBXOXNIKNZAOEY-QFIPXVFZSA-N 1 1 455.990 2.872 20 0 JFADMO O=C(CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)CC1)Nc1ccccc1Cl ZINC001290236020 1061982669 /nfs/dbraw/zinc/98/26/69/1061982669.db2.gz VBXOXNIKNZAOEY-QFIPXVFZSA-N 1 1 455.990 2.872 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CSCCS1 ZINC001287032476 1061987312 /nfs/dbraw/zinc/98/73/12/1061987312.db2.gz SEWMXXZXJFFRPA-LJQANCHMSA-N 1 1 480.748 2.850 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1CSCCS1 ZINC001287032476 1061987331 /nfs/dbraw/zinc/98/73/31/1061987331.db2.gz SEWMXXZXJFFRPA-LJQANCHMSA-N 1 1 480.748 2.850 20 0 JFADMO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001294434575 1061988345 /nfs/dbraw/zinc/98/83/45/1061988345.db2.gz GRNJMOCNGYWJKV-GOSISDBHSA-N 1 1 463.652 2.585 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287033500 1061991578 /nfs/dbraw/zinc/99/15/78/1061991578.db2.gz QSKIXIFRZVIWLH-IBGZPJMESA-N 1 1 459.614 2.574 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287033510 1061991638 /nfs/dbraw/zinc/99/16/38/1061991638.db2.gz QSKIXIFRZVIWLH-LJQANCHMSA-N 1 1 459.614 2.574 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 ZINC001294453549 1061997774 /nfs/dbraw/zinc/99/77/74/1061997774.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 1 1 473.691 2.704 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001294453690 1061998445 /nfs/dbraw/zinc/99/84/45/1061998445.db2.gz DCZNBUQODSWFGX-NRFANRHFSA-N 1 1 469.634 2.913 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 ZINC001294453716 1061998684 /nfs/dbraw/zinc/99/86/84/1061998684.db2.gz DZPXLIGKMUADCE-MRXNPFEDSA-N 1 1 469.619 2.556 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 ZINC001294454121 1062000113 /nfs/dbraw/zinc/00/01/13/1062000113.db2.gz OBYXPCZTTARYNQ-GOSISDBHSA-N 1 1 488.040 2.523 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)C1 ZINC001294454143 1062000261 /nfs/dbraw/zinc/00/02/61/1062000261.db2.gz OQBLWTXWUFHREG-LJQANCHMSA-N 1 1 455.607 2.910 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)c2ccccc2)C1 ZINC001294454112 1062000349 /nfs/dbraw/zinc/00/03/49/1062000349.db2.gz OARVWMHPXXRYRB-NRFANRHFSA-N 1 1 453.635 2.819 20 0 JFADMO Cc1cnn([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001290270978 1062000308 /nfs/dbraw/zinc/00/03/08/1062000308.db2.gz CYMMQERNNUARHM-IBGZPJMESA-N 1 1 470.647 2.956 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294454941 1062001145 /nfs/dbraw/zinc/00/11/45/1062001145.db2.gz UVXIKIHMRRWZKI-HXUWFJFHSA-N 1 1 469.634 2.840 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 ZINC001294455076 1062001281 /nfs/dbraw/zinc/00/12/81/1062001281.db2.gz CCHJTBDLKLAZSC-LJQANCHMSA-N 1 1 473.643 2.863 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455082 1062001417 /nfs/dbraw/zinc/00/14/17/1062001417.db2.gz CDCYYZHIVMTZFS-JYFHCDHNSA-N 1 1 490.693 2.745 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287035862 1062001701 /nfs/dbraw/zinc/00/17/01/1062001701.db2.gz BOTZPKVNOFNHHQ-GOSISDBHSA-N 1 1 450.628 2.692 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287035862 1062001727 /nfs/dbraw/zinc/00/17/27/1062001727.db2.gz BOTZPKVNOFNHHQ-GOSISDBHSA-N 1 1 450.628 2.692 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 ZINC001294455722 1062003121 /nfs/dbraw/zinc/00/31/21/1062003121.db2.gz ZLSIBYAMBMWCGO-LJQANCHMSA-N 1 1 457.648 2.847 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456832 1062004686 /nfs/dbraw/zinc/00/46/86/1062004686.db2.gz KBFFDQCACRUCRV-ZWKOTPCHSA-N 1 1 466.627 2.552 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)C1 ZINC001294458015 1062005458 /nfs/dbraw/zinc/00/54/58/1062005458.db2.gz PGMZVFUUTXHLKH-FQEVSTJZSA-N 1 1 475.659 2.943 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294461109 1062009963 /nfs/dbraw/zinc/00/99/63/1062009963.db2.gz ROURTHCWPWVHRG-RTBURBONSA-N 1 1 461.632 2.557 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294461272 1062010392 /nfs/dbraw/zinc/01/03/92/1062010392.db2.gz VXECKCANFGCLPV-GOSISDBHSA-N 1 1 481.066 2.986 20 0 JFADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CSc3nc(-c4ccccc4)no3)c2)CC1 ZINC001294462948 1062012667 /nfs/dbraw/zinc/01/26/67/1062012667.db2.gz MZAMQBYUUWVNKK-UHFFFAOYSA-N 1 1 451.552 2.784 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)CC1 ZINC001287042852 1062013369 /nfs/dbraw/zinc/01/33/69/1062013369.db2.gz WXOMZADPLILBRC-UHFFFAOYSA-N 1 1 477.679 2.711 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001294464160 1062014420 /nfs/dbraw/zinc/01/44/20/1062014420.db2.gz VBAWOOLGNQEMSG-HXUWFJFHSA-N 1 1 468.627 2.982 20 0 JFADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCS(C)(=O)=O)CC1 ZINC001287043303 1062014398 /nfs/dbraw/zinc/01/43/98/1062014398.db2.gz XPQYHTPWBVHXRM-UHFFFAOYSA-N 1 1 488.427 2.812 20 0 JFADMO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CCCS(C)(=O)=O)CC1 ZINC001287043176 1062014684 /nfs/dbraw/zinc/01/46/84/1062014684.db2.gz RZBCZRNJGMPMLD-UHFFFAOYSA-N 1 1 456.616 2.849 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465980 1062015035 /nfs/dbraw/zinc/01/50/35/1062015035.db2.gz AIOXZKZHQGWMQV-GOTSBHOMSA-N 1 1 489.686 2.933 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 ZINC001294467218 1062015828 /nfs/dbraw/zinc/01/58/28/1062015828.db2.gz FFUNKNVSSIPRPL-NNWRFLSQSA-N 1 1 475.659 2.736 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467553 1062016843 /nfs/dbraw/zinc/01/68/43/1062016843.db2.gz GWIKKUJZYRJLNO-FPOVZHCZSA-N 1 1 475.659 2.600 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468076 1062017552 /nfs/dbraw/zinc/01/75/52/1062017552.db2.gz KILTVIMFZGCXNQ-FCHUYYIVSA-N 1 1 454.619 2.609 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468244 1062018996 /nfs/dbraw/zinc/01/89/96/1062018996.db2.gz LIHRDKUIBQAHAD-PZJWPPBQSA-N 1 1 475.659 2.714 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(F)c2)C1 ZINC001294468882 1062019565 /nfs/dbraw/zinc/01/95/65/1062019565.db2.gz RDDIQSWTFUXLFF-HSALFYBXSA-N 1 1 493.649 2.955 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294469287 1062021132 /nfs/dbraw/zinc/02/11/32/1062021132.db2.gz XGEZTHYKQKMCGJ-BZSNNMDCSA-N 1 1 496.703 2.561 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001294469190 1062021318 /nfs/dbraw/zinc/02/13/18/1062021318.db2.gz VPCUEJJSBXTASC-FGTMMUONSA-N 1 1 459.607 2.784 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001294469192 1062021401 /nfs/dbraw/zinc/02/14/01/1062021401.db2.gz VPCUEJJSBXTASC-SQNIBIBYSA-N 1 1 459.607 2.784 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045110 1062022072 /nfs/dbraw/zinc/02/20/72/1062022072.db2.gz JCUOJHBVFPLALA-RBUKOAKNSA-N 1 1 488.599 2.746 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)CN(C)C2=O)C1 ZINC001294469602 1062022466 /nfs/dbraw/zinc/02/24/66/1062022466.db2.gz CCISUUPYRYGMSW-NBGIEHNGSA-N 1 1 454.619 2.812 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)C1 ZINC001294469922 1062022864 /nfs/dbraw/zinc/02/28/64/1062022864.db2.gz ILMJTXDHHYYRIZ-HBMCJLEFSA-N 1 1 492.665 2.934 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@@H]2C)C1 ZINC001294469669 1062023158 /nfs/dbraw/zinc/02/31/58/1062023158.db2.gz DWPINEDLKZETFZ-AXHZCLLHSA-N 1 1 474.675 2.989 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001287045566 1062024499 /nfs/dbraw/zinc/02/44/99/1062024499.db2.gz NLBFLKNEEMIIKB-HXUWFJFHSA-N 1 1 472.609 2.938 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)C1 ZINC001294471886 1062025391 /nfs/dbraw/zinc/02/53/91/1062025391.db2.gz SSUZSQKXKKFKIT-QRVBRYPASA-N 1 1 462.639 2.742 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC2)C1 ZINC001294471885 1062025465 /nfs/dbraw/zinc/02/54/65/1062025465.db2.gz SSUZSQKXKKFKIT-GBESFXJTSA-N 1 1 462.639 2.742 20 0 JFADMO COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O ZINC001294480490 1062030902 /nfs/dbraw/zinc/03/09/02/1062030902.db2.gz FXWTVGSSCOMSNL-LPHOPBHVSA-N 1 1 459.543 2.808 20 0 JFADMO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001290305267 1062032466 /nfs/dbraw/zinc/03/24/66/1062032466.db2.gz VEBDJKCJDGMRCR-IBGZPJMESA-N 1 1 486.642 2.859 20 0 JFADMO Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290316131 1062039507 /nfs/dbraw/zinc/03/95/07/1062039507.db2.gz SMMCVZBFYWEYHT-QGZVFWFLSA-N 1 1 475.663 2.630 20 0 JFADMO Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290316131 1062039532 /nfs/dbraw/zinc/03/95/32/1062039532.db2.gz SMMCVZBFYWEYHT-QGZVFWFLSA-N 1 1 475.663 2.630 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001294505165 1062040529 /nfs/dbraw/zinc/04/05/29/1062040529.db2.gz HPOCRIPIJVCYJQ-UHFFFAOYSA-N 1 1 499.635 2.784 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294505447 1062040789 /nfs/dbraw/zinc/04/07/89/1062040789.db2.gz JFMKFMOTJCSAQM-XMMPIXPASA-N 1 1 455.607 2.581 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001294505505 1062041454 /nfs/dbraw/zinc/04/14/54/1062041454.db2.gz KYWNODBAWILWHN-OAQYLSRUSA-N 1 1 458.582 2.963 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294506176 1062043030 /nfs/dbraw/zinc/04/30/30/1062043030.db2.gz HIVGKUJDXYOCDM-MRXNPFEDSA-N 1 1 480.455 2.835 20 0 JFADMO Cc1csc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@@H+](C)C3CCCC3)C2)n1 ZINC001290318978 1062043283 /nfs/dbraw/zinc/04/32/83/1062043283.db2.gz PQEFELHNMUXBOR-QZTJIDSGSA-N 1 1 495.719 2.912 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294506204 1062043854 /nfs/dbraw/zinc/04/38/54/1062043854.db2.gz HWYSMHXZFCRKJH-HOTGVXAUSA-N 1 1 467.368 2.882 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294513386 1062047956 /nfs/dbraw/zinc/04/79/56/1062047956.db2.gz DEQTWFVMYMOQLI-MRXNPFEDSA-N 1 1 453.513 2.577 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001294514485 1062049470 /nfs/dbraw/zinc/04/94/70/1062049470.db2.gz TZXMOGGUGKMCNR-UHFFFAOYSA-N 1 1 482.677 2.597 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294514888 1062050466 /nfs/dbraw/zinc/05/04/66/1062050466.db2.gz XMKHUEHWYWVZOF-UHFFFAOYSA-N 1 1 455.529 2.900 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294516264 1062053580 /nfs/dbraw/zinc/05/35/80/1062053580.db2.gz QHUOEPMSDINASJ-QUCCMNQESA-N 1 1 457.598 2.815 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001294521225 1062056840 /nfs/dbraw/zinc/05/68/40/1062056840.db2.gz BVLDSQBGLXUNLN-UHFFFAOYSA-N 1 1 453.635 2.977 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294521518 1062057309 /nfs/dbraw/zinc/05/73/09/1062057309.db2.gz CRBVLWJTUHRHSA-QHCPKHFHSA-N 1 1 463.623 2.755 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294521679 1062057519 /nfs/dbraw/zinc/05/75/19/1062057519.db2.gz GJCJFGWWSWZJLJ-UHFFFAOYSA-N 1 1 483.661 2.947 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294523173 1062059532 /nfs/dbraw/zinc/05/95/32/1062059532.db2.gz XIDXTZHSDCLOIJ-VXKWHMMOSA-N 1 1 459.660 2.981 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 ZINC001294523978 1062060923 /nfs/dbraw/zinc/06/09/23/1062060923.db2.gz JIAJRENTGAUIFA-KRWDZBQOSA-N 1 1 460.970 2.995 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001294526664 1062062897 /nfs/dbraw/zinc/06/28/97/1062062897.db2.gz IOZDIFSCIHKEQT-UHFFFAOYSA-N 1 1 459.664 2.814 20 0 JFADMO CCC[N@@H+](CC)CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294528840 1062065345 /nfs/dbraw/zinc/06/53/45/1062065345.db2.gz GPQDSVCOOAWIHQ-NRFANRHFSA-N 1 1 455.651 2.656 20 0 JFADMO Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC001290354375 1062066029 /nfs/dbraw/zinc/06/60/29/1062066029.db2.gz RMBGBAYDYIMDOX-LJQANCHMSA-N 1 1 488.706 2.610 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294529517 1062066036 /nfs/dbraw/zinc/06/60/36/1062066036.db2.gz LKXAOVPYKGHJGX-YSTOQKLRSA-N 1 1 462.639 2.863 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001294530325 1062066753 /nfs/dbraw/zinc/06/67/53/1062066753.db2.gz CRBUKDNCGUXURI-VXNXHJTFSA-N 1 1 450.583 2.939 20 0 JFADMO CC[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001294530325 1062066773 /nfs/dbraw/zinc/06/67/73/1062066773.db2.gz CRBUKDNCGUXURI-VXNXHJTFSA-N 1 1 450.583 2.939 20 0 JFADMO CCCN(Cc1ccc(F)cc1C)c1nnc(-c2cnccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294533644 1062069091 /nfs/dbraw/zinc/06/90/91/1062069091.db2.gz YGBUJXVRDMQERD-UHFFFAOYSA-N 1 1 480.592 2.763 20 0 JFADMO CCCN(Cc1ccc(F)cc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001294537046 1062070066 /nfs/dbraw/zinc/07/00/66/1062070066.db2.gz CUVQWYBKOOVIJI-XMMPIXPASA-N 1 1 473.572 2.901 20 0 JFADMO CCCN(CCC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001294555629 1062077523 /nfs/dbraw/zinc/07/75/23/1062077523.db2.gz QBFFDRYOCPNOEP-UHFFFAOYSA-N 1 1 453.595 2.658 20 0 JFADMO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001294555866 1062077807 /nfs/dbraw/zinc/07/78/07/1062077807.db2.gz YODDJUBSMWKHEO-PCCBWWKXSA-N 1 1 459.587 2.956 20 0 JFADMO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001287059188 1062088283 /nfs/dbraw/zinc/08/82/83/1062088283.db2.gz DGEDQVHXQBHHPG-FPOVZHCZSA-N 1 1 492.665 2.512 20 0 JFADMO CCCN(CCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294585733 1062097067 /nfs/dbraw/zinc/09/70/67/1062097067.db2.gz QMFXNNRUPGFLKZ-IBGZPJMESA-N 1 1 477.654 2.578 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001290400125 1062101010 /nfs/dbraw/zinc/10/10/10/1062101010.db2.gz ACQKLAMDJVJZNS-LJQANCHMSA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H]2OCCC2(C)C)cs1 ZINC001290400125 1062101015 /nfs/dbraw/zinc/10/10/15/1062101015.db2.gz ACQKLAMDJVJZNS-LJQANCHMSA-N 1 1 462.664 2.996 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)cs1 ZINC001290400995 1062104349 /nfs/dbraw/zinc/10/43/49/1062104349.db2.gz JIFQHUGOMMGLIL-HXUWFJFHSA-N 1 1 482.702 2.842 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC001290403288 1062109977 /nfs/dbraw/zinc/10/99/77/1062109977.db2.gz LCJZEYGPIUOPSO-NRFANRHFSA-N 1 1 488.683 2.779 20 0 JFADMO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC001290403288 1062109989 /nfs/dbraw/zinc/10/99/89/1062109989.db2.gz LCJZEYGPIUOPSO-NRFANRHFSA-N 1 1 488.683 2.779 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287062984 1062111090 /nfs/dbraw/zinc/11/10/90/1062111090.db2.gz GGWFUMWSZBHJGV-NHCUHLMSSA-N 1 1 476.666 2.819 20 0 JFADMO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC001290404339 1062114367 /nfs/dbraw/zinc/11/43/67/1062114367.db2.gz ICUBBQRPUIXROE-MSOLQXFVSA-N 1 1 459.664 2.955 20 0 JFADMO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287065071 1062132024 /nfs/dbraw/zinc/13/20/24/1062132024.db2.gz KXVVKKULBJQINB-OAQYLSRUSA-N 1 1 499.660 2.726 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCCn2ccnn2)cs1 ZINC001290416466 1062137851 /nfs/dbraw/zinc/13/78/51/1062137851.db2.gz AFGJQEXFDNRARE-UHFFFAOYSA-N 1 1 457.652 2.872 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001294631625 1062139069 /nfs/dbraw/zinc/13/90/69/1062139069.db2.gz CILFYCWYQXXMBQ-MRXNPFEDSA-N 1 1 482.555 2.635 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(F)c(OC)c3)CC2)C1 ZINC001294633539 1062143501 /nfs/dbraw/zinc/14/35/01/1062143501.db2.gz PKTDBXUFZNLWRD-IBGZPJMESA-N 1 1 487.624 2.623 20 0 JFADMO CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001294635589 1062147589 /nfs/dbraw/zinc/14/75/89/1062147589.db2.gz BGTXRQNZUBOJED-RBUKOAKNSA-N 1 1 475.638 2.503 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001294637026 1062149863 /nfs/dbraw/zinc/14/98/63/1062149863.db2.gz AKACAQIJCYYCPJ-HXUWFJFHSA-N 1 1 496.660 2.741 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287066751 1062150370 /nfs/dbraw/zinc/15/03/70/1062150370.db2.gz IHRCZAWFQBHJBC-UHFFFAOYSA-N 1 1 477.654 2.740 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001287066917 1062151986 /nfs/dbraw/zinc/15/19/86/1062151986.db2.gz KGPVSEHIJZWFAX-KRWDZBQOSA-N 1 1 460.554 2.520 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001287066917 1062151996 /nfs/dbraw/zinc/15/19/96/1062151996.db2.gz KGPVSEHIJZWFAX-KRWDZBQOSA-N 1 1 460.554 2.520 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@@H]2CC)C1 ZINC001294639842 1062156582 /nfs/dbraw/zinc/15/65/82/1062156582.db2.gz XUWXAGXZOZGVKN-FHWLQOOXSA-N 1 1 452.669 2.779 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCC[N@H+]2CCCO)cs1 ZINC001290421861 1062159368 /nfs/dbraw/zinc/15/93/68/1062159368.db2.gz RXHPABUEJIQXAH-GOSISDBHSA-N 1 1 481.464 2.970 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cs1 ZINC001290421862 1062159426 /nfs/dbraw/zinc/15/94/26/1062159426.db2.gz RXHPABUEJIQXAH-SFHVURJKSA-N 1 1 481.464 2.970 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001294641295 1062160437 /nfs/dbraw/zinc/16/04/37/1062160437.db2.gz LSQBQXYYQHINAN-FHWLQOOXSA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294641313 1062161975 /nfs/dbraw/zinc/16/19/75/1062161975.db2.gz LWXIBTRLWBARBC-GBESFXJTSA-N 1 1 458.582 2.991 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641304 1062162092 /nfs/dbraw/zinc/16/20/92/1062162092.db2.gz LUCOUFWDKIYMCY-UYWIDEMCSA-N 1 1 478.638 2.562 20 0 JFADMO CC(C)(C)OC(=O)NCCCn1c(N2CC[C@@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001287068040 1062168443 /nfs/dbraw/zinc/16/84/43/1062168443.db2.gz GMSLJGBTNCAMRQ-SFHVURJKSA-N 1 1 450.628 2.649 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 ZINC001294645284 1062171728 /nfs/dbraw/zinc/17/17/28/1062171728.db2.gz ATANGAPXMLEJAC-FPOVZHCZSA-N 1 1 471.650 2.615 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645486 1062171780 /nfs/dbraw/zinc/17/17/80/1062171780.db2.gz MSFIMTMQAVXSIV-PXDATVDWSA-N 1 1 451.567 2.930 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3c4ccccc4CCN3C(C)=O)C2)cc(OC)c1 ZINC001294645486 1062171797 /nfs/dbraw/zinc/17/17/97/1062171797.db2.gz MSFIMTMQAVXSIV-PXDATVDWSA-N 1 1 451.567 2.930 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294645712 1062174165 /nfs/dbraw/zinc/17/41/65/1062174165.db2.gz FLKXAHOLRMBPEZ-PKOBYXMFSA-N 1 1 479.000 2.811 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294646730 1062178548 /nfs/dbraw/zinc/17/85/48/1062178548.db2.gz NWUWDLMEUHRVOD-UYAOXDASSA-N 1 1 470.618 2.751 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294647007 1062179514 /nfs/dbraw/zinc/17/95/14/1062179514.db2.gz QSBZNCOAVSWHHG-SJLPKXTDSA-N 1 1 482.050 2.962 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCc2cccc(C(N)=O)c2)cs1 ZINC001290428102 1062179784 /nfs/dbraw/zinc/17/97/84/1062179784.db2.gz DKIXMJRGYHZUHP-UHFFFAOYSA-N 1 1 467.643 2.896 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001294647028 1062180778 /nfs/dbraw/zinc/18/07/78/1062180778.db2.gz RFTQZUKQNQXHSV-NRFANRHFSA-N 1 1 468.646 2.971 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCSC2)cs1 ZINC001290428654 1062181580 /nfs/dbraw/zinc/18/15/80/1062181580.db2.gz NZXWBTIFAMWASF-OAQYLSRUSA-N 1 1 450.678 2.812 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294647286 1062182730 /nfs/dbraw/zinc/18/27/30/1062182730.db2.gz SOAQKKAJOZIZCR-QUCCMNQESA-N 1 1 470.618 2.751 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290432011 1062194082 /nfs/dbraw/zinc/19/40/82/1062194082.db2.gz MFIXOCHRFVWSFT-UHFFFAOYSA-N 1 1 473.672 2.998 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001294649967 1062194661 /nfs/dbraw/zinc/19/46/61/1062194661.db2.gz GALGWIPNJOCKFT-WOJBJXKFSA-N 1 1 464.618 2.681 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656837 1062201813 /nfs/dbraw/zinc/20/18/13/1062201813.db2.gz IJQIMPHSKGDSQH-OALUTQOASA-N 1 1 456.591 2.615 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658487 1062205435 /nfs/dbraw/zinc/20/54/35/1062205435.db2.gz QXBSATXLRRINLH-PMACEKPBSA-N 1 1 467.618 2.653 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287072181 1062206132 /nfs/dbraw/zinc/20/61/32/1062206132.db2.gz SUQHFWIRJCUZLP-HXUWFJFHSA-N 1 1 453.591 2.629 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001294659026 1062206633 /nfs/dbraw/zinc/20/66/33/1062206633.db2.gz RXZKJNFIJJJICU-PMACEKPBSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001294659402 1062208020 /nfs/dbraw/zinc/20/80/20/1062208020.db2.gz UWTUEQBXGDKYPL-PCCBWWKXSA-N 1 1 492.665 2.791 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290440874 1062211057 /nfs/dbraw/zinc/21/10/57/1062211057.db2.gz YMRCIEVLQUABKZ-VQIMIIECSA-N 1 1 477.704 2.518 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440870 1062211241 /nfs/dbraw/zinc/21/12/41/1062211241.db2.gz YMRCIEVLQUABKZ-LPHOPBHVSA-N 1 1 477.704 2.518 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001294661927 1062213717 /nfs/dbraw/zinc/21/37/17/1062213717.db2.gz CNNURWAIYXRRHD-XZOQPEGZSA-N 1 1 467.662 2.984 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294665616 1062217325 /nfs/dbraw/zinc/21/73/25/1062217325.db2.gz ZPJVLTLSKJYKCM-IBGZPJMESA-N 1 1 480.704 2.523 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666158 1062218721 /nfs/dbraw/zinc/21/87/21/1062218721.db2.gz AMCPZYKBEAUXEP-LJQANCHMSA-N 1 1 458.582 2.820 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294667934 1062223064 /nfs/dbraw/zinc/22/30/64/1062223064.db2.gz CWLODQKQRRETAB-HXUWFJFHSA-N 1 1 466.696 2.603 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 ZINC001294669843 1062225965 /nfs/dbraw/zinc/22/59/65/1062225965.db2.gz MHWSKPWIXQPPRA-DOIPELPJSA-N 1 1 460.667 2.891 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294670351 1062227805 /nfs/dbraw/zinc/22/78/05/1062227805.db2.gz SMKLCANDIYSGOB-RTWAWAEBSA-N 1 1 475.659 2.829 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001294671373 1062229312 /nfs/dbraw/zinc/22/93/12/1062229312.db2.gz WDQLKUISCRYHFG-NRFANRHFSA-N 1 1 464.618 2.607 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001294674670 1062234204 /nfs/dbraw/zinc/23/42/04/1062234204.db2.gz LZSWEORHYGYNER-OWSLCNJRSA-N 1 1 461.529 2.502 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001294674672 1062234398 /nfs/dbraw/zinc/23/43/98/1062234398.db2.gz LZSWEORHYGYNER-XSLAGTTESA-N 1 1 461.529 2.502 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294691959 1062251641 /nfs/dbraw/zinc/25/16/41/1062251641.db2.gz DXIYIHIUDJOMFD-HXUWFJFHSA-N 1 1 489.665 2.836 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC ZINC001294693791 1062253392 /nfs/dbraw/zinc/25/33/92/1062253392.db2.gz IFHJOZFTKUDBGL-QGZVFWFLSA-N 1 1 480.455 2.883 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 ZINC001294694233 1062254300 /nfs/dbraw/zinc/25/43/00/1062254300.db2.gz KDJAIMUATKGMCL-NRFANRHFSA-N 1 1 483.665 2.578 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 ZINC001294694686 1062255349 /nfs/dbraw/zinc/25/53/49/1062255349.db2.gz LJQIELDDIDHHIV-NRFANRHFSA-N 1 1 472.659 2.980 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O ZINC001294695883 1062257129 /nfs/dbraw/zinc/25/71/29/1062257129.db2.gz ARCKCNGZMRBCBT-FQEVSTJZSA-N 1 1 491.658 2.852 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294697990 1062260177 /nfs/dbraw/zinc/26/01/77/1062260177.db2.gz HQFYHJIGCDXEDU-FQEVSTJZSA-N 1 1 489.068 2.516 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294699318 1062262602 /nfs/dbraw/zinc/26/26/02/1062262602.db2.gz OREQPDUVAQPQKG-UXHICEINSA-N 1 1 458.611 2.658 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(=O)NC ZINC001294700230 1062265255 /nfs/dbraw/zinc/26/52/55/1062265255.db2.gz VOXFMHUCZPEJCW-JOCHJYFZSA-N 1 1 464.618 2.968 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001294705595 1062269032 /nfs/dbraw/zinc/26/90/32/1062269032.db2.gz BWNGYOSQGJGDNI-BHDDXSALSA-N 1 1 496.722 2.748 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294706328 1062269649 /nfs/dbraw/zinc/26/96/49/1062269649.db2.gz ASICCRCNEYRCAP-RTWAWAEBSA-N 1 1 457.623 2.794 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294705893 1062269731 /nfs/dbraw/zinc/26/97/31/1062269731.db2.gz FICFZRBVKHVORR-OALUTQOASA-N 1 1 454.685 2.601 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001294706820 1062271031 /nfs/dbraw/zinc/27/10/31/1062271031.db2.gz LTCOGUFEJSBMMR-JOCHJYFZSA-N 1 1 459.683 2.630 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294707724 1062271793 /nfs/dbraw/zinc/27/17/93/1062271793.db2.gz AIOBDAOTUODWEQ-RBUKOAKNSA-N 1 1 458.582 2.962 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 ZINC001294708405 1062274629 /nfs/dbraw/zinc/27/46/29/1062274629.db2.gz ISZMWOJJMDSIAI-JOCHJYFZSA-N 1 1 454.619 2.833 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708576 1062275672 /nfs/dbraw/zinc/27/56/72/1062275672.db2.gz SEPWKUORRGGTND-VQTJNVASSA-N 1 1 496.703 2.573 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294710997 1062279604 /nfs/dbraw/zinc/27/96/04/1062279604.db2.gz OWBCTMYQGLVUAJ-MSOLQXFVSA-N 1 1 456.557 3.000 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713126 1062283666 /nfs/dbraw/zinc/28/36/66/1062283666.db2.gz TYYZGJYNWYPDKH-MOPGFXCFSA-N 1 1 459.639 2.607 20 0 JFADMO CC(C)(C)[S@](=O)CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287091029 1062283763 /nfs/dbraw/zinc/28/37/63/1062283763.db2.gz YLSWVERVHCPUEG-UUWRZZSWSA-N 1 1 493.649 2.844 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294712968 1062284279 /nfs/dbraw/zinc/28/42/79/1062284279.db2.gz WTHSIEVGNWGJNQ-LEWJYISDSA-N 1 1 494.731 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001294712947 1062284321 /nfs/dbraw/zinc/28/43/21/1062284321.db2.gz WLHODXFZPBKNKS-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713338 1062286411 /nfs/dbraw/zinc/28/64/11/1062286411.db2.gz YRISVMFDAFXHDE-FCHUYYIVSA-N 1 1 459.660 2.951 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713614 1062287075 /nfs/dbraw/zinc/28/70/75/1062287075.db2.gz ZTGQBKDCJAIRGQ-PMACEKPBSA-N 1 1 463.623 2.896 20 0 JFADMO CC(C)(Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)C(F)(F)F ZINC001287092330 1062287630 /nfs/dbraw/zinc/28/76/30/1062287630.db2.gz AHBZPSRYFKTROX-OALUTQOASA-N 1 1 497.562 2.932 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H]2CCOC2)cc1F ZINC001290501044 1062293142 /nfs/dbraw/zinc/29/31/42/1062293142.db2.gz IETAMAHLJPYOPJ-SFHVURJKSA-N 1 1 455.538 2.571 20 0 JFADMO CC(C)(Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287094454 1062294873 /nfs/dbraw/zinc/29/48/73/1062294873.db2.gz VWAWLTRPXSAAFE-IBGZPJMESA-N 1 1 483.535 2.778 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@H]2C)cc1F ZINC001290502054 1062296595 /nfs/dbraw/zinc/29/65/95/1062296595.db2.gz VTRJIMJUVBMVLJ-HRCADAONSA-N 1 1 475.594 2.805 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N(C)[C@@H](C)CC(N)=O)cn1 ZINC001290502969 1062298649 /nfs/dbraw/zinc/29/86/49/1062298649.db2.gz BOMLXTCJRTVKIX-INIZCTEOSA-N 1 1 462.533 2.646 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001290503947 1062299944 /nfs/dbraw/zinc/29/99/44/1062299944.db2.gz NMIMRUXCMKWECJ-AWEZNQCLSA-N 1 1 475.541 2.572 20 0 JFADMO Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001290503805 1062299989 /nfs/dbraw/zinc/29/99/89/1062299989.db2.gz LWYXUFRONDPEJI-UHFFFAOYSA-N 1 1 456.639 2.856 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(CC(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)cn1 ZINC001290504663 1062301954 /nfs/dbraw/zinc/30/19/54/1062301954.db2.gz XNVLDCDXAMWSJP-FQEVSTJZSA-N 1 1 471.631 2.818 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001290506012 1062303241 /nfs/dbraw/zinc/30/32/41/1062303241.db2.gz FXTIVRNELMJJQZ-UWJYYQICSA-N 1 1 483.539 2.744 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001290506009 1062303464 /nfs/dbraw/zinc/30/34/64/1062303464.db2.gz FXTIVRNELMJJQZ-DYESRHJHSA-N 1 1 483.539 2.744 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001290506835 1062304909 /nfs/dbraw/zinc/30/49/09/1062304909.db2.gz FZSMITRSGLSECU-KRWDZBQOSA-N 1 1 453.513 2.721 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001290508035 1062306725 /nfs/dbraw/zinc/30/67/25/1062306725.db2.gz QMJXQUWGWNUWJH-NRFANRHFSA-N 1 1 456.616 2.672 20 0 JFADMO CC(C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287099578 1062308408 /nfs/dbraw/zinc/30/84/08/1062308408.db2.gz IJSHGIPEFLDZDC-MRXNPFEDSA-N 1 1 464.408 2.637 20 0 JFADMO Cc1[nH+]ccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001290511187 1062309399 /nfs/dbraw/zinc/30/93/99/1062309399.db2.gz MZXYKUCGRVSXLM-NQIIRXRSSA-N 1 1 486.646 2.564 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001290511340 1062310368 /nfs/dbraw/zinc/31/03/68/1062310368.db2.gz RGVDHAXNKVSRFS-MRXNPFEDSA-N 1 1 489.422 2.733 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001290513578 1062312256 /nfs/dbraw/zinc/31/22/56/1062312256.db2.gz DSVOIVHFEMFXAI-GOSISDBHSA-N 1 1 465.606 2.707 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001290514471 1062313048 /nfs/dbraw/zinc/31/30/48/1062313048.db2.gz MRIJDOIPQMIOTF-UHFFFAOYSA-N 1 1 475.594 2.540 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCS(C)(=O)=O ZINC001290514852 1062313582 /nfs/dbraw/zinc/31/35/82/1062313582.db2.gz RMUXVKPYYVMWPE-UHFFFAOYSA-N 1 1 469.571 2.676 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CCNS(C)(=O)=O ZINC001290514907 1062314028 /nfs/dbraw/zinc/31/40/28/1062314028.db2.gz SPOWFLWJINSRPX-INIZCTEOSA-N 1 1 491.687 2.712 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001290515249 1062315131 /nfs/dbraw/zinc/31/51/31/1062315131.db2.gz WGYXNPBZXFUHPQ-UHFFFAOYSA-N 1 1 466.487 2.958 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001290515775 1062317000 /nfs/dbraw/zinc/31/70/00/1062317000.db2.gz SUIZEASSOYTTCD-IBGZPJMESA-N 1 1 461.611 2.802 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC001294734310 1062317393 /nfs/dbraw/zinc/31/73/93/1062317393.db2.gz SQQFCBYTIXPHJT-HSZRJFAPSA-N 1 1 486.636 2.814 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001290517810 1062318441 /nfs/dbraw/zinc/31/84/41/1062318441.db2.gz KYROHVCYSHCUDR-KRWDZBQOSA-N 1 1 495.588 2.576 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC001290517941 1062318984 /nfs/dbraw/zinc/31/89/84/1062318984.db2.gz PNSIMFPDQRDART-USXNREEHSA-N 1 1 483.642 2.931 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)o1 ZINC001290518090 1062319915 /nfs/dbraw/zinc/31/99/15/1062319915.db2.gz VJBCCKZXXVOPRE-UHFFFAOYSA-N 1 1 476.379 2.988 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1=O ZINC001294735219 1062319851 /nfs/dbraw/zinc/31/98/51/1062319851.db2.gz NFLLOVBDVVBMAI-UHFFFAOYSA-N 1 1 453.635 2.835 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001290520731 1062320220 /nfs/dbraw/zinc/32/02/20/1062320220.db2.gz BZRZRDJJFMYECV-AWEZNQCLSA-N 1 1 458.364 2.580 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001287108739 1062320473 /nfs/dbraw/zinc/32/04/73/1062320473.db2.gz DKZIIENYHBVRTD-JOCHJYFZSA-N 1 1 454.619 2.609 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001290521518 1062321452 /nfs/dbraw/zinc/32/14/52/1062321452.db2.gz KOLVCEXRRIFQDH-AEFFLSMTSA-N 1 1 476.578 2.776 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001290521519 1062321626 /nfs/dbraw/zinc/32/16/26/1062321626.db2.gz KOLVCEXRRIFQDH-FUHWJXTLSA-N 1 1 476.578 2.776 20 0 JFADMO CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1=O ZINC001294739827 1062323036 /nfs/dbraw/zinc/32/30/36/1062323036.db2.gz JYCGCIZZOGCWKV-QFIPXVFZSA-N 1 1 470.666 2.853 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001290522254 1062323741 /nfs/dbraw/zinc/32/37/41/1062323741.db2.gz VZVNTUYVQIVVIQ-SFHVURJKSA-N 1 1 464.393 2.676 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001290523970 1062324308 /nfs/dbraw/zinc/32/43/08/1062324308.db2.gz WITXAGGQCVXQAD-FQEVSTJZSA-N 1 1 458.588 2.765 20 0 JFADMO CCCN1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC001294740691 1062324716 /nfs/dbraw/zinc/32/47/16/1062324716.db2.gz PPNPFLAYTPHZKU-DEOSSOPVSA-N 1 1 482.673 2.869 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cnccn2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001290524212 1062324952 /nfs/dbraw/zinc/32/49/52/1062324952.db2.gz ZMOWUOXKKARCIY-SFHVURJKSA-N 1 1 459.558 2.596 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001290525044 1062327598 /nfs/dbraw/zinc/32/75/98/1062327598.db2.gz VQFSXHNIBOSMJK-HXUWFJFHSA-N 1 1 466.590 2.963 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001290530252 1062331786 /nfs/dbraw/zinc/33/17/86/1062331786.db2.gz YVKUBELBHXEMCZ-QFHJOOASSA-N 1 1 466.652 2.660 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001290530251 1062331925 /nfs/dbraw/zinc/33/19/25/1062331925.db2.gz YVKUBELBHXEMCZ-PSBWJHGTSA-N 1 1 466.652 2.660 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287113755 1062333632 /nfs/dbraw/zinc/33/36/32/1062333632.db2.gz OBVGQMUWGAWWSJ-FQEVSTJZSA-N 1 1 464.618 2.504 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001294744207 1062335093 /nfs/dbraw/zinc/33/50/93/1062335093.db2.gz OOKZTRQZNKJHNQ-NRFANRHFSA-N 1 1 473.666 2.520 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001287114023 1062335127 /nfs/dbraw/zinc/33/51/27/1062335127.db2.gz BJNXVTBPRHKNHX-UHFFFAOYSA-N 1 1 495.716 2.784 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287114023 1062335151 /nfs/dbraw/zinc/33/51/51/1062335151.db2.gz BJNXVTBPRHKNHX-UHFFFAOYSA-N 1 1 495.716 2.784 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001287114023 1062335171 /nfs/dbraw/zinc/33/51/71/1062335171.db2.gz BJNXVTBPRHKNHX-UHFFFAOYSA-N 1 1 495.716 2.784 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294744136 1062335210 /nfs/dbraw/zinc/33/52/10/1062335210.db2.gz MWOYEZAAIPDHJN-QFIPXVFZSA-N 1 1 467.618 2.690 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001294744178 1062335261 /nfs/dbraw/zinc/33/52/61/1062335261.db2.gz ODMFLGDIUKZZQV-GGPKGHCWSA-N 1 1 476.647 2.550 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294744454 1062335790 /nfs/dbraw/zinc/33/57/90/1062335790.db2.gz USRRENYVENTGFK-HOTGVXAUSA-N 1 1 467.496 2.567 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001287114344 1062336421 /nfs/dbraw/zinc/33/64/21/1062336421.db2.gz GMXFTSCLNYJJIL-XMMPIXPASA-N 1 1 482.673 2.725 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294744709 1062336342 /nfs/dbraw/zinc/33/63/42/1062336342.db2.gz AWACUMBDCOZNMG-NRFANRHFSA-N 1 1 474.053 2.731 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)C1 ZINC001294745143 1062337278 /nfs/dbraw/zinc/33/72/78/1062337278.db2.gz JPUSHPDDMQDDKC-INIZCTEOSA-N 1 1 479.398 3.000 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001287114786 1062339108 /nfs/dbraw/zinc/33/91/08/1062339108.db2.gz PTSLDJMIJQUEMI-CEWLAPEOSA-N 1 1 460.667 2.984 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294749451 1062339964 /nfs/dbraw/zinc/33/99/64/1062339964.db2.gz KKINUKUVGSIQSE-OALUTQOASA-N 1 1 456.591 2.538 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294751425 1062340701 /nfs/dbraw/zinc/34/07/01/1062340701.db2.gz VTXSANHVEUQNMO-QFBILLFUSA-N 1 1 464.973 2.563 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001287116197 1062345784 /nfs/dbraw/zinc/34/57/84/1062345784.db2.gz KQGCXTHPEUWLEL-QGZVFWFLSA-N 1 1 460.573 2.934 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001294755788 1062346037 /nfs/dbraw/zinc/34/60/37/1062346037.db2.gz SMIGOYBLUKWWMD-IHPCNDPISA-N 1 1 461.632 2.958 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001294757101 1062346656 /nfs/dbraw/zinc/34/66/56/1062346656.db2.gz JENWXFHQYCQISV-ROUUACIJSA-N 1 1 472.556 2.823 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294757423 1062347206 /nfs/dbraw/zinc/34/72/06/1062347206.db2.gz LHEUWENQLJKIDD-NBGIEHNGSA-N 1 1 454.619 2.648 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290547441 1062348285 /nfs/dbraw/zinc/34/82/85/1062348285.db2.gz MILKLINXUHRVLC-VGSWGCGISA-N 1 1 464.618 2.736 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294758262 1062348716 /nfs/dbraw/zinc/34/87/16/1062348716.db2.gz UQKGHOPYJSPYRX-QFIPXVFZSA-N 1 1 454.619 2.833 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294759486 1062349228 /nfs/dbraw/zinc/34/92/28/1062349228.db2.gz DISAXJZHWGVIGG-BHIFYINESA-N 1 1 485.629 2.709 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294759780 1062350326 /nfs/dbraw/zinc/35/03/26/1062350326.db2.gz HCPJEDNGUZPTCC-YADARESESA-N 1 1 464.655 2.544 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290549394 1062352028 /nfs/dbraw/zinc/35/20/28/1062352028.db2.gz JLHSPJIJBCJECN-SFHVURJKSA-N 1 1 470.666 2.898 20 0 JFADMO CCCn1nc(-c2nnc(N(C)CC)n2CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2c1=O ZINC001294764492 1062353333 /nfs/dbraw/zinc/35/33/33/1062353333.db2.gz LCCOLTAUNGZDRD-UHFFFAOYSA-N 1 1 466.634 2.547 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294764869 1062354291 /nfs/dbraw/zinc/35/42/91/1062354291.db2.gz OORFXVPMDDXQCX-WOZUAGRISA-N 1 1 478.638 2.591 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001287120395 1062362584 /nfs/dbraw/zinc/36/25/84/1062362584.db2.gz QMIHHSDTQBENKA-FPOVZHCZSA-N 1 1 473.666 2.625 20 0 JFADMO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768367 1062362746 /nfs/dbraw/zinc/36/27/46/1062362746.db2.gz NPYZCRJTZAWZRN-MOPGFXCFSA-N 1 1 494.644 2.509 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCCOC(C)C)CC1 ZINC001290562352 1062364005 /nfs/dbraw/zinc/36/40/05/1062364005.db2.gz FDGXAEJZKHCMOM-UHFFFAOYSA-N 1 1 466.634 2.752 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 ZINC001290566041 1062368981 /nfs/dbraw/zinc/36/89/81/1062368981.db2.gz XCJMPXKRUCVUMP-SFHVURJKSA-N 1 1 485.555 2.771 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)C)n2CCOc2ncccc2F)CC1 ZINC001290567128 1062369809 /nfs/dbraw/zinc/36/98/09/1062369809.db2.gz UXMJQUASAVIYGW-UHFFFAOYSA-N 1 1 456.570 2.687 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001287126708 1062393245 /nfs/dbraw/zinc/39/32/45/1062393245.db2.gz FOELQJIJMQKJHF-SFHVURJKSA-N 1 1 468.631 2.842 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001287126707 1062393469 /nfs/dbraw/zinc/39/34/69/1062393469.db2.gz FOELQJIJMQKJHF-GOSISDBHSA-N 1 1 468.631 2.842 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001294789619 1062397721 /nfs/dbraw/zinc/39/77/21/1062397721.db2.gz MNEQPVOLUKGOFD-IFMALSPDSA-N 1 1 485.677 2.863 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001294789621 1062397879 /nfs/dbraw/zinc/39/78/79/1062397879.db2.gz MNEQPVOLUKGOFD-RBBKRZOGSA-N 1 1 485.677 2.863 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001290589770 1062403238 /nfs/dbraw/zinc/40/32/38/1062403238.db2.gz SNBKLVNYCPQCCV-UHFFFAOYSA-N 1 1 459.476 2.623 20 0 JFADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(Br)sc1C1CC1 ZINC001290589830 1062403840 /nfs/dbraw/zinc/40/38/40/1062403840.db2.gz UVTLGSKECUCYHI-UHFFFAOYSA-N 1 1 451.394 2.515 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnn(C)c3C)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001290594203 1062415379 /nfs/dbraw/zinc/41/53/79/1062415379.db2.gz PZDNBNJYFYPSSC-UHFFFAOYSA-N 1 1 453.639 2.940 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3c(C)noc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001290594684 1062415849 /nfs/dbraw/zinc/41/58/49/1062415849.db2.gz VFCOLISWOYJMDT-OAQYLSRUSA-N 1 1 470.622 2.738 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001290597795 1062420302 /nfs/dbraw/zinc/42/03/02/1062420302.db2.gz JRXZVRDRYKNEHI-QFIPXVFZSA-N 1 1 477.535 2.862 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(C(C)(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287131864 1062428079 /nfs/dbraw/zinc/42/80/79/1062428079.db2.gz XBOAYZRSEZUUCF-UHFFFAOYSA-N 1 1 456.635 2.665 20 0 JFADMO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001294803855 1062454587 /nfs/dbraw/zinc/45/45/87/1062454587.db2.gz NTAKJMPKLASHBL-GGAORHGYSA-N 1 1 483.661 2.507 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2csc(C)n2)n1 ZINC001290612400 1062455903 /nfs/dbraw/zinc/45/59/03/1062455903.db2.gz HOCWUQMEIWCMKN-KDURUIRLSA-N 1 1 472.663 2.693 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCc2csc(C)n2)n1 ZINC001290612400 1062455918 /nfs/dbraw/zinc/45/59/18/1062455918.db2.gz HOCWUQMEIWCMKN-KDURUIRLSA-N 1 1 472.663 2.693 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287136513 1062469480 /nfs/dbraw/zinc/46/94/80/1062469480.db2.gz XROSCKWXTDCNRQ-QFIPXVFZSA-N 1 1 464.618 2.552 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001290617061 1062470405 /nfs/dbraw/zinc/47/04/05/1062470405.db2.gz HAJIIWCBCCUCHS-UHFFFAOYSA-N 1 1 485.580 2.536 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001290618116 1062472456 /nfs/dbraw/zinc/47/24/56/1062472456.db2.gz SLBCYLGFZDFKIF-SOLBZPMBSA-N 1 1 455.529 2.778 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001290618112 1062472528 /nfs/dbraw/zinc/47/25/28/1062472528.db2.gz SLBCYLGFZDFKIF-BQFCYCMXSA-N 1 1 455.529 2.778 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287136916 1062473793 /nfs/dbraw/zinc/47/37/93/1062473793.db2.gz NCJYVHXMUXOHHG-HDICACEKSA-N 1 1 463.026 2.916 20 0 JFADMO CC(C)C(=O)NCCn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287136916 1062473801 /nfs/dbraw/zinc/47/38/01/1062473801.db2.gz NCJYVHXMUXOHHG-HDICACEKSA-N 1 1 463.026 2.916 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618356 1062474926 /nfs/dbraw/zinc/47/49/26/1062474926.db2.gz VBGIJUMAASXHJF-ZCNNSNEGSA-N 1 1 499.582 2.653 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290618350 1062474947 /nfs/dbraw/zinc/47/49/47/1062474947.db2.gz VBGIJUMAASXHJF-SLFFLAALSA-N 1 1 499.582 2.653 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001290618996 1062478153 /nfs/dbraw/zinc/47/81/53/1062478153.db2.gz YIDQVIZTFJKENK-FBBABVLZSA-N 1 1 486.665 2.973 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC001290619029 1062478201 /nfs/dbraw/zinc/47/82/01/1062478201.db2.gz YQECRYAJEUPOPV-GHTZIAJQSA-N 1 1 485.036 2.763 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624605 1062490299 /nfs/dbraw/zinc/49/02/99/1062490299.db2.gz CVECDNFYLQFZOI-PKTZIBPZSA-N 1 1 484.693 2.955 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)([NH+]4CCOCC4)C3)n2CCSC(F)(F)F)n1 ZINC001290624666 1062491126 /nfs/dbraw/zinc/49/11/26/1062491126.db2.gz SRSHVFQEOMSNAV-LJQANCHMSA-N 1 1 473.569 2.694 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCN2CCSCC2)n1 ZINC001290625463 1062495331 /nfs/dbraw/zinc/49/53/31/1062495331.db2.gz LGCKLPRVKYWKIJ-UHFFFAOYSA-N 1 1 474.723 2.745 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCN2CCSCC2)n1 ZINC001290625463 1062495342 /nfs/dbraw/zinc/49/53/42/1062495342.db2.gz LGCKLPRVKYWKIJ-UHFFFAOYSA-N 1 1 474.723 2.745 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 ZINC001290625874 1062497459 /nfs/dbraw/zinc/49/74/59/1062497459.db2.gz QPTSNVDZUSDOGT-JOCHJYFZSA-N 1 1 491.706 2.521 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001290630028 1062503363 /nfs/dbraw/zinc/50/33/63/1062503363.db2.gz XPRPWHKVMBLCCW-UYAOXDASSA-N 1 1 472.638 2.727 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001290631525 1062506186 /nfs/dbraw/zinc/50/61/86/1062506186.db2.gz JRDIZUXNWQFGSS-OAQYLSRUSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001290631525 1062506211 /nfs/dbraw/zinc/50/62/11/1062506211.db2.gz JRDIZUXNWQFGSS-OAQYLSRUSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001290633307 1062511004 /nfs/dbraw/zinc/51/10/04/1062511004.db2.gz QOFMFEBUJMDICK-LPHOPBHVSA-N 1 1 451.566 2.590 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001294829322 1062517147 /nfs/dbraw/zinc/51/71/47/1062517147.db2.gz WFWCKJVFRLFYFH-NRFANRHFSA-N 1 1 475.726 2.883 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294832547 1062520129 /nfs/dbraw/zinc/52/01/29/1062520129.db2.gz MCLRKEDDNRXFII-OYRHEFFESA-N 1 1 497.688 2.894 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001287151125 1062522417 /nfs/dbraw/zinc/52/24/17/1062522417.db2.gz RFZLUWQODARQQT-YZIHRLCOSA-N 1 1 470.662 2.997 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNC(=O)C2CCC2)n1 ZINC001290639565 1062523673 /nfs/dbraw/zinc/52/36/73/1062523673.db2.gz JIXQZVPLNSGMOV-UHFFFAOYSA-N 1 1 470.666 2.757 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001287152201 1062525361 /nfs/dbraw/zinc/52/53/61/1062525361.db2.gz CZSUZLARCWFVBP-VWLOTQADSA-N 1 1 485.608 2.849 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001290640950 1062528065 /nfs/dbraw/zinc/52/80/65/1062528065.db2.gz MRMXINDJGPDCSH-MSOLQXFVSA-N 1 1 468.572 2.695 20 0 JFADMO CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294838465 1062529557 /nfs/dbraw/zinc/52/95/57/1062529557.db2.gz NKRVJAAKFRETJK-LJQANCHMSA-N 1 1 455.607 2.594 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287154467 1062536214 /nfs/dbraw/zinc/53/62/14/1062536214.db2.gz DCHTXYMNGZGUKV-HXUWFJFHSA-N 1 1 455.651 2.981 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCSCC(F)(F)F)n1 ZINC001290648260 1062543646 /nfs/dbraw/zinc/54/36/46/1062543646.db2.gz RQPYWVKSOLOWRL-GOSISDBHSA-N 1 1 487.596 2.736 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290648308 1062544359 /nfs/dbraw/zinc/54/43/59/1062544359.db2.gz JIOPLXJFSLKMJG-BDTNDASRSA-N 1 1 473.666 2.889 20 0 JFADMO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001294847680 1062546966 /nfs/dbraw/zinc/54/69/66/1062546966.db2.gz WNAKTHZCTWQYPI-MSOLQXFVSA-N 1 1 456.591 2.552 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001290649519 1062547356 /nfs/dbraw/zinc/54/73/56/1062547356.db2.gz RIRLYFWAUMVIHL-QFIPXVFZSA-N 1 1 459.639 2.644 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001290650130 1062549255 /nfs/dbraw/zinc/54/92/55/1062549255.db2.gz XMSRIVPJCZAKQN-FGZHOGPDSA-N 1 1 473.666 2.628 20 0 JFADMO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cnn(C)c4)n3CCC[N@H+](C)C(C)C)C2)n1 ZINC001290656034 1062556931 /nfs/dbraw/zinc/55/69/31/1062556931.db2.gz DSTLRBTUPKHCHT-HXUWFJFHSA-N 1 1 454.627 2.534 20 0 JFADMO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287160419 1062559883 /nfs/dbraw/zinc/55/98/83/1062559883.db2.gz DNBCFAJAOGOEJC-GGPKGHCWSA-N 1 1 470.622 2.957 20 0 JFADMO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287160421 1062560061 /nfs/dbraw/zinc/56/00/61/1062560061.db2.gz DNBCFAJAOGOEJC-NSHGMRRFSA-N 1 1 470.622 2.957 20 0 JFADMO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001287162991 1062566280 /nfs/dbraw/zinc/56/62/80/1062566280.db2.gz QCTNKPXMSKNTKT-DLBZAZTESA-N 1 1 467.039 2.937 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1)[NH+]1CCOCC1 ZINC001287163004 1062567045 /nfs/dbraw/zinc/56/70/45/1062567045.db2.gz QCTNKPXMSKNTKT-SJORKVTESA-N 1 1 467.039 2.937 20 0 JFADMO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287163489 1062569983 /nfs/dbraw/zinc/56/99/83/1062569983.db2.gz WGKAHDLHDTXKND-HSZRJFAPSA-N 1 1 469.678 2.931 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC001287163820 1062571752 /nfs/dbraw/zinc/57/17/52/1062571752.db2.gz GSRDVWGXQDTGNT-FGZHOGPDSA-N 1 1 491.658 2.526 20 0 JFADMO CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001294863755 1062571928 /nfs/dbraw/zinc/57/19/28/1062571928.db2.gz ONDSRARNFXBROR-UHFFFAOYSA-N 1 1 482.608 2.517 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001287164045 1062573375 /nfs/dbraw/zinc/57/33/75/1062573375.db2.gz VDKXXOZBUSPXSE-WOJBJXKFSA-N 1 1 461.010 2.876 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001287166460 1062577472 /nfs/dbraw/zinc/57/74/72/1062577472.db2.gz IHLDACKUAFRBKD-HSALFYBXSA-N 1 1 490.674 2.764 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287166485 1062577873 /nfs/dbraw/zinc/57/78/73/1062577873.db2.gz IVGWLGRFKWNLPV-UXHICEINSA-N 1 1 490.674 2.765 20 0 JFADMO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001287166461 1062578193 /nfs/dbraw/zinc/57/81/93/1062578193.db2.gz IHLDACKUAFRBKD-SLFFLAALSA-N 1 1 490.674 2.764 20 0 JFADMO CC(C)c1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287167796 1062581429 /nfs/dbraw/zinc/58/14/29/1062581429.db2.gz YVIISWZCBWHDFN-UHFFFAOYSA-N 1 1 456.639 2.752 20 0 JFADMO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001287180123 1062605578 /nfs/dbraw/zinc/60/55/78/1062605578.db2.gz WQPSCVNYMBGZDP-UHFFFAOYSA-N 1 1 454.685 2.916 20 0 JFADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179812 1062605594 /nfs/dbraw/zinc/60/55/94/1062605594.db2.gz TZRVPWFXQGNUQG-IRLDBZIGSA-N 1 1 489.686 2.831 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001287185208 1062611292 /nfs/dbraw/zinc/61/12/92/1062611292.db2.gz ZAEHLGHBVGNGQM-UHFFFAOYSA-N 1 1 470.544 2.869 20 0 JFADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001287185208 1062611309 /nfs/dbraw/zinc/61/13/09/1062611309.db2.gz ZAEHLGHBVGNGQM-UHFFFAOYSA-N 1 1 470.544 2.869 20 0 JFADMO CC(C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001287188941 1062614628 /nfs/dbraw/zinc/61/46/28/1062614628.db2.gz XGDRBRIUHRSWMU-OALUTQOASA-N 1 1 450.628 2.815 20 0 JFADMO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC001290693243 1062618221 /nfs/dbraw/zinc/61/82/21/1062618221.db2.gz YAVHJTOWADEFAP-FUHWJXTLSA-N 1 1 460.652 2.715 20 0 JFADMO CC(C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287192763 1062621450 /nfs/dbraw/zinc/62/14/50/1062621450.db2.gz VNECIPMBMXYEGQ-CJFMBICVSA-N 1 1 492.734 2.987 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287193390 1062623754 /nfs/dbraw/zinc/62/37/54/1062623754.db2.gz PFUSBKSBUMKEMV-RBBKRZOGSA-N 1 1 474.675 2.784 20 0 JFADMO CC(C)c1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287205396 1062650112 /nfs/dbraw/zinc/65/01/12/1062650112.db2.gz JEBBIOBVHQXUTA-UHFFFAOYSA-N 1 1 453.513 2.884 20 0 JFADMO CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294911764 1062667118 /nfs/dbraw/zinc/66/71/18/1062667118.db2.gz GLCFAQRNXVKKLX-UHFFFAOYSA-N 1 1 497.688 2.687 20 0 JFADMO Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290749972 1062667225 /nfs/dbraw/zinc/66/72/25/1062667225.db2.gz JCGRWVHSMJAPDO-GIVPXCGWSA-N 1 1 462.639 2.923 20 0 JFADMO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290762602 1062677603 /nfs/dbraw/zinc/67/76/03/1062677603.db2.gz KGHHTIJRJNWITI-FQEVSTJZSA-N 1 1 454.619 2.572 20 0 JFADMO C[NH+]1CCN(CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC001290770357 1062687444 /nfs/dbraw/zinc/68/74/44/1062687444.db2.gz ANDLDHWDIIZVCX-QFIPXVFZSA-N 1 1 457.619 2.748 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCn2cncn2)cc1OC ZINC001294922609 1062689934 /nfs/dbraw/zinc/68/99/34/1062689934.db2.gz CVFASOBUKZZCTO-OALUTQOASA-N 1 1 468.606 2.953 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001294923416 1062691344 /nfs/dbraw/zinc/69/13/44/1062691344.db2.gz IWEUHOUHCSONAY-OAQYLSRUSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294923416 1062691353 /nfs/dbraw/zinc/69/13/53/1062691353.db2.gz IWEUHOUHCSONAY-OAQYLSRUSA-N 1 1 486.661 2.994 20 0 JFADMO CCCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001294923416 1062691364 /nfs/dbraw/zinc/69/13/64/1062691364.db2.gz IWEUHOUHCSONAY-OAQYLSRUSA-N 1 1 486.661 2.994 20 0 JFADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001290788945 1062694100 /nfs/dbraw/zinc/69/41/00/1062694100.db2.gz OHMBUZJKVDUUKN-UHFFFAOYSA-N 1 1 456.591 2.849 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001294924648 1062694425 /nfs/dbraw/zinc/69/44/25/1062694425.db2.gz KBXPDIBVYUGQFQ-ZWKOTPCHSA-N 1 1 470.618 2.892 20 0 JFADMO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001290793428 1062699948 /nfs/dbraw/zinc/69/99/48/1062699948.db2.gz UXLBLOKQWIHSSU-INIZCTEOSA-N 1 1 464.536 2.928 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)s2)cc1)C1CCOCC1 ZINC001290799240 1062703433 /nfs/dbraw/zinc/70/34/33/1062703433.db2.gz YHIXTLIEMLSOJQ-UHFFFAOYSA-N 1 1 456.612 2.999 20 0 JFADMO Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290801567 1062706055 /nfs/dbraw/zinc/70/60/55/1062706055.db2.gz NXSWUZGLGLLXSU-HDICACEKSA-N 1 1 458.582 2.624 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220650 1062706096 /nfs/dbraw/zinc/70/60/96/1062706096.db2.gz YMMBOWQDWINNSE-ICSRJNTNSA-N 1 1 472.609 2.574 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222392 1062708283 /nfs/dbraw/zinc/70/82/83/1062708283.db2.gz CYENPEUJGLODCD-QHCPKHFHSA-N 1 1 475.726 2.897 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001287224601 1062712405 /nfs/dbraw/zinc/71/24/05/1062712405.db2.gz UPZIKZUNSIKSDX-MGBGTMOVSA-N 1 1 472.703 2.957 20 0 JFADMO CC[C@H](CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001290815865 1062713038 /nfs/dbraw/zinc/71/30/38/1062713038.db2.gz ZWEXUMCNVJUJQN-RTWAWAEBSA-N 1 1 458.628 2.933 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001290820087 1062714332 /nfs/dbraw/zinc/71/43/32/1062714332.db2.gz KTSIDSFYKWMYKN-DNQXCXABSA-N 1 1 452.599 2.839 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001290820087 1062714353 /nfs/dbraw/zinc/71/43/53/1062714353.db2.gz KTSIDSFYKWMYKN-DNQXCXABSA-N 1 1 452.599 2.839 20 0 JFADMO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001290820087 1062714377 /nfs/dbraw/zinc/71/43/77/1062714377.db2.gz KTSIDSFYKWMYKN-DNQXCXABSA-N 1 1 452.599 2.839 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819209 1062715143 /nfs/dbraw/zinc/71/51/43/1062715143.db2.gz CWUZEUNSESDFMM-AUSIDOKSSA-N 1 1 456.537 2.813 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819209 1062715155 /nfs/dbraw/zinc/71/51/55/1062715155.db2.gz CWUZEUNSESDFMM-AUSIDOKSSA-N 1 1 456.537 2.813 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819209 1062715171 /nfs/dbraw/zinc/71/51/71/1062715171.db2.gz CWUZEUNSESDFMM-AUSIDOKSSA-N 1 1 456.537 2.813 20 0 JFADMO CN1CC[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001290821176 1062716371 /nfs/dbraw/zinc/71/63/71/1062716371.db2.gz UGHCLZUESGFDCZ-XMMPIXPASA-N 1 1 455.624 2.979 20 0 JFADMO C[N@@H+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001290821176 1062716386 /nfs/dbraw/zinc/71/63/86/1062716386.db2.gz UGHCLZUESGFDCZ-XMMPIXPASA-N 1 1 455.624 2.979 20 0 JFADMO C[N@H+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001290821176 1062716400 /nfs/dbraw/zinc/71/64/00/1062716400.db2.gz UGHCLZUESGFDCZ-XMMPIXPASA-N 1 1 455.624 2.979 20 0 JFADMO Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001290832003 1062724213 /nfs/dbraw/zinc/72/42/13/1062724213.db2.gz JWAZXLXGMTVKSY-PKTZIBPZSA-N 1 1 468.646 2.723 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001294941234 1062728142 /nfs/dbraw/zinc/72/81/42/1062728142.db2.gz YBKAONGQLWWLFZ-SFHVURJKSA-N 1 1 493.612 2.815 20 0 JFADMO CCN1CC[NH+](Cc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854819 1062738631 /nfs/dbraw/zinc/73/86/31/1062738631.db2.gz YFWUZYNNDMQERA-RUZDIDTESA-N 1 1 455.603 2.653 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290856598 1062740635 /nfs/dbraw/zinc/74/06/35/1062740635.db2.gz HJWOLVREVNBVEA-UGKGYDQZSA-N 1 1 470.618 2.933 20 0 JFADMO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290856598 1062740654 /nfs/dbraw/zinc/74/06/54/1062740654.db2.gz HJWOLVREVNBVEA-UGKGYDQZSA-N 1 1 470.618 2.933 20 0 JFADMO CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287265911 1062743254 /nfs/dbraw/zinc/74/32/54/1062743254.db2.gz YLOUFDDSELXUCN-IRLDBZIGSA-N 1 1 496.722 2.748 20 0 JFADMO Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290863091 1062747011 /nfs/dbraw/zinc/74/70/11/1062747011.db2.gz LCYUTWSZGIUQGE-KDURUIRLSA-N 1 1 456.639 2.714 20 0 JFADMO CCCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1OC ZINC001294965499 1062747088 /nfs/dbraw/zinc/74/70/88/1062747088.db2.gz OXCBGUUVWXCVGM-DENIHFKCSA-N 1 1 484.645 2.675 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC001294966653 1062748197 /nfs/dbraw/zinc/74/81/97/1062748197.db2.gz GVLZWMYBEZUWCW-KYJSFNMBSA-N 1 1 457.434 2.784 20 0 JFADMO C[C@@H]1C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC001294966653 1062748220 /nfs/dbraw/zinc/74/82/20/1062748220.db2.gz GVLZWMYBEZUWCW-KYJSFNMBSA-N 1 1 457.434 2.784 20 0 JFADMO Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001290866953 1062748663 /nfs/dbraw/zinc/74/86/63/1062748663.db2.gz GHHPEYBRVUETBC-KRWDZBQOSA-N 1 1 458.573 2.940 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867847 1062750696 /nfs/dbraw/zinc/75/06/96/1062750696.db2.gz DOENWFJECMDKQO-QFIPXVFZSA-N 1 1 457.619 2.748 20 0 JFADMO CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870447 1062756337 /nfs/dbraw/zinc/75/63/37/1062756337.db2.gz SZGRPGYYRVUUQX-AVRDEDQJSA-N 1 1 453.002 2.921 20 0 JFADMO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290888603 1062767488 /nfs/dbraw/zinc/76/74/88/1062767488.db2.gz WXSWAJQLXXNFFY-GHTZIAJQSA-N 1 1 458.607 2.837 20 0 JFADMO CCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294985768 1062772076 /nfs/dbraw/zinc/77/20/76/1062772076.db2.gz WKAZOBJTKBCZNY-CTNGQTDRSA-N 1 1 458.607 2.561 20 0 JFADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)CC2)CC1 ZINC001290902518 1062775891 /nfs/dbraw/zinc/77/58/91/1062775891.db2.gz QVDXLWUHQQCXPF-UHFFFAOYSA-N 1 1 456.587 2.610 20 0 JFADMO CCn1c(SCC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)nnc1-c1ccco1 ZINC001290916371 1062791267 /nfs/dbraw/zinc/79/12/67/1062791267.db2.gz OAVRRFFAWIMDKW-UHFFFAOYSA-N 1 1 454.600 2.714 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295014125 1062802209 /nfs/dbraw/zinc/80/22/09/1062802209.db2.gz IVDWDOVMZNFYDF-RBUKOAKNSA-N 1 1 454.685 2.822 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001295021290 1062822757 /nfs/dbraw/zinc/82/27/57/1062822757.db2.gz HYCDGJIVXPEHNU-SFHVURJKSA-N 1 1 477.679 2.624 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001295022386 1062825820 /nfs/dbraw/zinc/82/58/20/1062825820.db2.gz SLBIYRDWFYWIDL-JOCHJYFZSA-N 1 1 474.675 2.803 20 0 JFADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2cc(-n3ccnc3)ccc2O)ccc1F ZINC001290954066 1062828801 /nfs/dbraw/zinc/82/88/01/1062828801.db2.gz FFXPAPFDYLUANF-UHFFFAOYSA-N 1 1 453.474 2.630 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295023645 1062828999 /nfs/dbraw/zinc/82/89/99/1062828999.db2.gz LHLNPGCJDLVYQP-PZJWPPBQSA-N 1 1 496.722 2.938 20 0 JFADMO CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287373076 1062832489 /nfs/dbraw/zinc/83/24/89/1062832489.db2.gz VAXRZLSSWIUKFA-RTWAWAEBSA-N 1 1 484.645 2.696 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001287384969 1062836146 /nfs/dbraw/zinc/83/61/46/1062836146.db2.gz JQYUIRUMCJZKQA-VQTJNVASSA-N 1 1 464.655 2.938 20 0 JFADMO CC(C)Cc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1CCNS(C)(=O)=O ZINC001287410658 1062850320 /nfs/dbraw/zinc/85/03/20/1062850320.db2.gz HOQLFGALQVNMJW-LJQANCHMSA-N 1 1 454.685 2.507 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001295054561 1062857918 /nfs/dbraw/zinc/85/79/18/1062857918.db2.gz BDJGQCQNBDCRQM-RBUKOAKNSA-N 1 1 488.608 2.725 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001295057473 1062864060 /nfs/dbraw/zinc/86/40/60/1062864060.db2.gz BSVCGGLICSZWEX-YJBOKZPZSA-N 1 1 461.408 2.859 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001295062314 1062876210 /nfs/dbraw/zinc/87/62/10/1062876210.db2.gz KTWQXQSKUVPKIX-UHFFFAOYSA-N 1 1 488.999 2.662 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287443724 1062879143 /nfs/dbraw/zinc/87/91/43/1062879143.db2.gz XTEPTEAKFMRUPK-QHAWAJNXSA-N 1 1 482.739 2.999 20 0 JFADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[N@@H+](C)C1CC1 ZINC001290989953 1062880813 /nfs/dbraw/zinc/88/08/13/1062880813.db2.gz PJBPPQSAQDATSS-BDTNDASRSA-N 1 1 487.737 2.976 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001287448544 1062884362 /nfs/dbraw/zinc/88/43/62/1062884362.db2.gz VTFKDXBMNPRQRD-FPOVZHCZSA-N 1 1 479.633 2.529 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290998278 1062891549 /nfs/dbraw/zinc/89/15/49/1062891549.db2.gz OSJCCQJZMXIKNN-CEXWTWQISA-N 1 1 464.680 2.909 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000295 1062895177 /nfs/dbraw/zinc/89/51/77/1062895177.db2.gz VOFGOQNYCBPZQJ-IYWGDAJJSA-N 1 1 496.722 2.649 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000594 1062895531 /nfs/dbraw/zinc/89/55/31/1062895531.db2.gz VQXZOERDKZBWQY-CEXWTWQISA-N 1 1 467.680 2.552 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291000670 1062896183 /nfs/dbraw/zinc/89/61/83/1062896183.db2.gz WSDLFVHQBVNURA-HDICACEKSA-N 1 1 466.696 2.678 20 0 JFADMO CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001295075800 1062903010 /nfs/dbraw/zinc/90/30/10/1062903010.db2.gz QLFYOPNZMUGIDP-KNQAVFIVSA-N 1 1 470.618 2.890 20 0 JFADMO COc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075719 1062903242 /nfs/dbraw/zinc/90/32/42/1062903242.db2.gz ARSWJHRKMZKTSB-ZWKOTPCHSA-N 1 1 457.596 2.871 20 0 JFADMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1S(=O)(=O)NC1CC1 ZINC001295075719 1062903271 /nfs/dbraw/zinc/90/32/71/1062903271.db2.gz ARSWJHRKMZKTSB-ZWKOTPCHSA-N 1 1 457.596 2.871 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009705 1062907246 /nfs/dbraw/zinc/90/72/46/1062907246.db2.gz JPJBIXLFTLWBKU-UZINWLIJSA-N 1 1 490.693 2.949 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010590 1062908934 /nfs/dbraw/zinc/90/89/34/1062908934.db2.gz XNPBUJSYECEFLQ-KDURUIRLSA-N 1 1 463.671 2.525 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291010811 1062909757 /nfs/dbraw/zinc/90/97/57/1062909757.db2.gz BBVJHOLHXJIJGR-OYRHEFFESA-N 1 1 480.723 2.851 20 0 JFADMO CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295080063 1062910439 /nfs/dbraw/zinc/91/04/39/1062910439.db2.gz HGQRNCXRMDIEHV-SZPZYZBQSA-N 1 1 482.673 2.867 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291011178 1062911078 /nfs/dbraw/zinc/91/10/78/1062911078.db2.gz GURBGXARDRVJLS-BDTNDASRSA-N 1 1 496.722 2.750 20 0 JFADMO CC(C)Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001287465532 1062912052 /nfs/dbraw/zinc/91/20/52/1062912052.db2.gz MGDDJXDGDBJZIL-DEOSSOPVSA-N 1 1 467.662 2.700 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011593 1062912478 /nfs/dbraw/zinc/91/24/78/1062912478.db2.gz MOTMRMSXCWRPFK-MBDNFAEBSA-N 1 1 481.707 2.800 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001287465604 1062913053 /nfs/dbraw/zinc/91/30/53/1062913053.db2.gz YTDNIKQRZSOAPM-DEOSSOPVSA-N 1 1 482.673 2.725 20 0 JFADMO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001295081245 1062913389 /nfs/dbraw/zinc/91/33/89/1062913389.db2.gz WKCGIWCZMSHGJH-FQEVSTJZSA-N 1 1 454.619 2.689 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011810 1062913536 /nfs/dbraw/zinc/91/35/36/1062913536.db2.gz PZCTVCLZEHSJTL-WOZUAGRISA-N 1 1 469.696 2.800 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011807 1062913630 /nfs/dbraw/zinc/91/36/30/1062913630.db2.gz PZCTVCLZEHSJTL-JSXRDJHFSA-N 1 1 469.696 2.800 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011855 1062913695 /nfs/dbraw/zinc/91/36/95/1062913695.db2.gz QPWSHMUNVCEIID-KDURUIRLSA-N 1 1 469.634 2.520 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(Cc3ccncc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291011878 1062914257 /nfs/dbraw/zinc/91/42/57/1062914257.db2.gz QWNWQWXIKIFEFE-VWPQPMDRSA-N 1 1 474.675 2.645 20 0 JFADMO CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001295083635 1062915862 /nfs/dbraw/zinc/91/58/62/1062915862.db2.gz JFFOSXLTRXHZHC-GOSISDBHSA-N 1 1 491.036 2.678 20 0 JFADMO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)C1 ZINC001306054468 1062917473 /nfs/dbraw/zinc/91/74/73/1062917473.db2.gz BXVHKSXKWSGEJJ-GGUMNFRJSA-N 1 1 451.567 2.827 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291013915 1062921974 /nfs/dbraw/zinc/92/19/74/1062921974.db2.gz UUEQNGPPSZKNEJ-CALCHBBNSA-N 1 1 467.039 2.596 20 0 JFADMO CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001287474980 1062924309 /nfs/dbraw/zinc/92/43/09/1062924309.db2.gz KVDUZUOBEZYGDQ-UHFFFAOYSA-N 1 1 494.619 2.568 20 0 JFADMO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094941 1062927760 /nfs/dbraw/zinc/92/77/60/1062927760.db2.gz PRRMTXBJZUHOOC-OXQOHEQNSA-N 1 1 453.486 2.720 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287482026 1062937781 /nfs/dbraw/zinc/93/77/81/1062937781.db2.gz LMNQFCRWLNKKOR-IBGZPJMESA-N 1 1 460.589 2.908 20 0 JFADMO CC(C)Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001287482187 1062938345 /nfs/dbraw/zinc/93/83/45/1062938345.db2.gz RWYLIQMFHVPJHO-UHFFFAOYSA-N 1 1 488.683 2.839 20 0 JFADMO CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001287482384 1062938789 /nfs/dbraw/zinc/93/87/89/1062938789.db2.gz VPDKQGBWSGGVKR-UHFFFAOYSA-N 1 1 462.589 2.744 20 0 JFADMO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001287485718 1062941015 /nfs/dbraw/zinc/94/10/15/1062941015.db2.gz ATZAHZYJAXBPKT-GMAHTHKFSA-N 1 1 488.702 2.859 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)c1 ZINC001295126641 1062942633 /nfs/dbraw/zinc/94/26/33/1062942633.db2.gz HBWBBFOKKKJCLV-WMQCIHAUSA-N 1 1 460.648 2.767 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001295126949 1062944368 /nfs/dbraw/zinc/94/43/68/1062944368.db2.gz KDLCXOCNEVYXMZ-JOCHJYFZSA-N 1 1 499.685 2.549 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(OC)C2)c1 ZINC001295127083 1062944538 /nfs/dbraw/zinc/94/45/38/1062944538.db2.gz LDWLQJJIQOSZKC-UHFFFAOYSA-N 1 1 468.627 2.995 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001295127273 1062945923 /nfs/dbraw/zinc/94/59/23/1062945923.db2.gz NWJPHKMCKDTMKH-NRFANRHFSA-N 1 1 458.607 2.816 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001295127514 1062946676 /nfs/dbraw/zinc/94/66/76/1062946676.db2.gz RKBYCRHHUYOOKP-QFIPXVFZSA-N 1 1 468.646 2.903 20 0 JFADMO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC001295137577 1062957135 /nfs/dbraw/zinc/95/71/35/1062957135.db2.gz QIBUGXGNLQOJAD-HSZRJFAPSA-N 1 1 461.010 2.697 20 0 JFADMO CCN(c1nnc(C(C)C)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295140645 1062958877 /nfs/dbraw/zinc/95/88/77/1062958877.db2.gz CSBQDOCJQZXAJS-YADHBBJMSA-N 1 1 459.660 2.980 20 0 JFADMO C[C@H]1C[C@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@@H+]1Cc1ccccc1 ZINC001295142546 1062960791 /nfs/dbraw/zinc/96/07/91/1062960791.db2.gz LILPOOXSGRYBLX-HKUYNNGSSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@H]1C[C@H](CCNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C[N@H+]1Cc1ccccc1 ZINC001295142546 1062960809 /nfs/dbraw/zinc/96/08/09/1062960809.db2.gz LILPOOXSGRYBLX-HKUYNNGSSA-N 1 1 450.514 2.904 20 0 JFADMO C[C@H]1C[C@@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291032496 1062964134 /nfs/dbraw/zinc/96/41/34/1062964134.db2.gz PJXRQABKMRRCIB-UGKGYDQZSA-N 1 1 474.675 2.611 20 0 JFADMO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCc2sccc2C1)C1CCCC1 ZINC001295145076 1062964242 /nfs/dbraw/zinc/96/42/42/1062964242.db2.gz NGWVRGRMULMFCU-MRXNPFEDSA-N 1 1 466.677 2.777 20 0 JFADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145208 1062964807 /nfs/dbraw/zinc/96/48/07/1062964807.db2.gz AZCWUXOGSOHDPN-PKOBYXMFSA-N 1 1 456.486 2.593 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001295145208 1062964832 /nfs/dbraw/zinc/96/48/32/1062964832.db2.gz AZCWUXOGSOHDPN-PKOBYXMFSA-N 1 1 456.486 2.593 20 0 JFADMO C[C@@H]1C[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291033902 1062965515 /nfs/dbraw/zinc/96/55/15/1062965515.db2.gz IRHFYSGIDOQKPV-HSALFYBXSA-N 1 1 492.665 2.790 20 0 JFADMO C[C@@H]1C[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291033902 1062965532 /nfs/dbraw/zinc/96/55/32/1062965532.db2.gz IRHFYSGIDOQKPV-HSALFYBXSA-N 1 1 492.665 2.790 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1csc(I)c1 ZINC001295145928 1062966813 /nfs/dbraw/zinc/96/68/13/1062966813.db2.gz HRJSYPGARFRYCW-JKSUJKDBSA-N 1 1 456.349 2.966 20 0 JFADMO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295152994 1062974147 /nfs/dbraw/zinc/97/41/47/1062974147.db2.gz FVJTWPABHOFDDZ-MRXNPFEDSA-N 1 1 485.452 2.535 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291051343 1062980900 /nfs/dbraw/zinc/98/09/00/1062980900.db2.gz DONKURZUBGRHJE-BGYRXZFFSA-N 1 1 459.683 2.845 20 0 JFADMO CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001287566764 1062988318 /nfs/dbraw/zinc/98/83/18/1062988318.db2.gz NKHWMMSCMSPWCM-OAQYLSRUSA-N 1 1 480.723 2.611 20 0 JFADMO CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295169436 1062993020 /nfs/dbraw/zinc/99/30/20/1062993020.db2.gz GUIQAKJWVSKLHY-SFHVURJKSA-N 1 1 478.022 2.992 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)cc2)n1CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC001295171574 1062995540 /nfs/dbraw/zinc/99/55/40/1062995540.db2.gz UULPQCVTXGXCLC-IBGZPJMESA-N 1 1 458.588 2.562 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060749 1062995823 /nfs/dbraw/zinc/99/58/23/1062995823.db2.gz NZTPVRHZWCBNEO-OEXSPLCWSA-N 1 1 496.722 2.746 20 0 JFADMO CC(C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001291062109 1062999250 /nfs/dbraw/zinc/99/92/50/1062999250.db2.gz KWYXMFLBMLEQFX-NYLDSWQDSA-N 1 1 459.683 2.701 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001291063411 1063004728 /nfs/dbraw/zinc/00/47/28/1063004728.db2.gz PXCZBPLIKSMLKL-SFHVURJKSA-N 1 1 489.690 2.593 20 0 JFADMO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001295182512 1063005243 /nfs/dbraw/zinc/00/52/43/1063005243.db2.gz CDNZTKCVVGICCK-FQEVSTJZSA-N 1 1 458.509 2.718 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001287635827 1063014612 /nfs/dbraw/zinc/01/46/12/1063014612.db2.gz KKGXAZMAHWLKDL-NRFANRHFSA-N 1 1 489.686 2.907 20 0 JFADMO CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295195959 1063017132 /nfs/dbraw/zinc/01/71/32/1063017132.db2.gz UFHGCUZHZGQTFW-PMACEKPBSA-N 1 1 460.648 2.782 20 0 JFADMO CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295195962 1063017195 /nfs/dbraw/zinc/01/71/95/1063017195.db2.gz UFHGCUZHZGQTFW-WOJBJXKFSA-N 1 1 460.648 2.782 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287642714 1063019361 /nfs/dbraw/zinc/01/93/61/1063019361.db2.gz AXCIFPUFNMRNLR-IRLDBZIGSA-N 1 1 476.666 2.762 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287642716 1063019949 /nfs/dbraw/zinc/01/99/49/1063019949.db2.gz AXCIFPUFNMRNLR-UNMCSNQZSA-N 1 1 476.666 2.762 20 0 JFADMO CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295209053 1063023836 /nfs/dbraw/zinc/02/38/36/1063023836.db2.gz UTPKPAVUBIJMQX-HBMCJLEFSA-N 1 1 461.632 2.836 20 0 JFADMO C[C@@H]1CCC[C@]1(O)Cn1c(Cc2ccncc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291080747 1063036826 /nfs/dbraw/zinc/03/68/26/1063036826.db2.gz SVHGFNLXNZYAFW-NLFFAJNJSA-N 1 1 456.635 2.610 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693571 1063040102 /nfs/dbraw/zinc/04/01/02/1063040102.db2.gz MXKJLYVKWQJUDE-DOTOQJQBSA-N 1 1 455.360 2.923 20 0 JFADMO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001295225578 1063044722 /nfs/dbraw/zinc/04/47/22/1063044722.db2.gz VAXOHAIAKRKJCD-YYWHXJBOSA-N 1 1 451.658 2.562 20 0 JFADMO CC(C)CN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC001287711491 1063045976 /nfs/dbraw/zinc/04/59/76/1063045976.db2.gz KFEVQBDZOOGVQG-GLDPYIMESA-N 1 1 464.655 2.986 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(ccnc3N(C)C)C2)C1 ZINC001287732959 1063054796 /nfs/dbraw/zinc/05/47/96/1063054796.db2.gz ANIPYDBZJNZJMS-HXUWFJFHSA-N 1 1 482.677 2.808 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)C1 ZINC001291095895 1063055929 /nfs/dbraw/zinc/05/59/29/1063055929.db2.gz UXAXSAXLDDXHAS-UXHICEINSA-N 1 1 462.664 2.809 20 0 JFADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095965 1063056390 /nfs/dbraw/zinc/05/63/90/1063056390.db2.gz VXXNVLMPPDBCNM-UXHICEINSA-N 1 1 458.655 2.841 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001287736526 1063059894 /nfs/dbraw/zinc/05/98/94/1063059894.db2.gz AUUQTFOXEYEXEL-SFTDATJTSA-N 1 1 474.675 2.783 20 0 JFADMO CCN(c1nnc(CCCc2ccccc2)n1CC[N@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295240038 1063059684 /nfs/dbraw/zinc/05/96/84/1063059684.db2.gz LCMYUFCSXZXKJN-IRLDBZIGSA-N 1 1 459.660 2.951 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001287737217 1063060517 /nfs/dbraw/zinc/06/05/17/1063060517.db2.gz GFSIANKHSBEXAD-MOPGFXCFSA-N 1 1 485.599 2.672 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCCC3)C2)C1 ZINC001287738042 1063060955 /nfs/dbraw/zinc/06/09/55/1063060955.db2.gz MTNAXVAKRLWRQX-RTWAWAEBSA-N 1 1 496.722 2.796 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001291097719 1063061103 /nfs/dbraw/zinc/06/11/03/1063061103.db2.gz AJGHHWDIUUAIFX-OAQYLSRUSA-N 1 1 461.699 2.732 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001287738222 1063061121 /nfs/dbraw/zinc/06/11/21/1063061121.db2.gz NUDZPLCVPNFGAH-PMACEKPBSA-N 1 1 475.659 2.942 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001291098619 1063062430 /nfs/dbraw/zinc/06/24/30/1063062430.db2.gz RAMUKLJLUAXZEH-QGZVFWFLSA-N 1 1 469.055 2.848 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 ZINC001291099013 1063063882 /nfs/dbraw/zinc/06/38/82/1063063882.db2.gz ZUEUOXIASKIGGW-OAQYLSRUSA-N 1 1 454.619 2.778 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001291099254 1063065195 /nfs/dbraw/zinc/06/51/95/1063065195.db2.gz DOCJJWITODDUOK-BHIFYINESA-N 1 1 496.722 2.892 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC001287740958 1063067055 /nfs/dbraw/zinc/06/70/55/1063067055.db2.gz XEPSTJPANPJUAS-HXUWFJFHSA-N 1 1 468.650 2.590 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccccc3F)nnc2N2CCS(=O)CC2)C1 ZINC001287742090 1063068676 /nfs/dbraw/zinc/06/86/76/1063068676.db2.gz MBQODZGCHHMYRB-IBGZPJMESA-N 1 1 463.623 2.933 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101750 1063074029 /nfs/dbraw/zinc/07/40/29/1063074029.db2.gz APPAYPDMBCJGOI-PMACEKPBSA-N 1 1 496.722 2.796 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101861 1063074374 /nfs/dbraw/zinc/07/43/74/1063074374.db2.gz CSIDZXWIJXZFJZ-YADHBBJMSA-N 1 1 489.709 2.677 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102178 1063075755 /nfs/dbraw/zinc/07/57/55/1063075755.db2.gz IOZUOPSVQKZQOX-RBUKOAKNSA-N 1 1 467.680 2.696 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295260420 1063077456 /nfs/dbraw/zinc/07/74/56/1063077456.db2.gz FICWPHHLVBYQFH-QHAWAJNXSA-N 1 1 461.632 2.754 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291102821 1063078465 /nfs/dbraw/zinc/07/84/65/1063078465.db2.gz TVASCWJJPTVQGC-OALUTQOASA-N 1 1 475.663 2.649 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103354 1063079802 /nfs/dbraw/zinc/07/98/02/1063079802.db2.gz CGKCCXMXRUNHRR-LEWJYISDSA-N 1 1 495.672 2.560 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103284 1063079915 /nfs/dbraw/zinc/07/99/15/1063079915.db2.gz BFNOQAFAMKUDBC-AABGKKOBSA-N 1 1 470.618 2.813 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103370 1063080614 /nfs/dbraw/zinc/08/06/14/1063080614.db2.gz CQRBNYHWFCGWSE-VQTJNVASSA-N 1 1 473.691 2.920 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291104347 1063084261 /nfs/dbraw/zinc/08/42/61/1063084261.db2.gz SKUKYGOUHOHFHB-QHAWAJNXSA-N 1 1 496.660 2.787 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291104435 1063084566 /nfs/dbraw/zinc/08/45/66/1063084566.db2.gz UMXPVEUUVOTURR-NHCUHLMSSA-N 1 1 487.693 2.718 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291104533 1063085078 /nfs/dbraw/zinc/08/50/78/1063085078.db2.gz WEBSBAHYLQTUSQ-HXUWFJFHSA-N 1 1 487.693 2.652 20 0 JFADMO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291105064 1063085621 /nfs/dbraw/zinc/08/56/21/1063085621.db2.gz DKTAURSSVGMPTQ-BBWFWOEESA-N 1 1 492.466 2.868 20 0 JFADMO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105358 1063087211 /nfs/dbraw/zinc/08/72/11/1063087211.db2.gz IBEJNAOROMYOJE-RTWAWAEBSA-N 1 1 472.682 2.594 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]2CCC[C@@H]21)[N@H+]1CCC[C@@H](C)C1 ZINC001291105412 1063087384 /nfs/dbraw/zinc/08/73/84/1063087384.db2.gz JBSJIXBMYOKHBZ-OBKDMQGPSA-N 1 1 452.669 2.778 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105506 1063088200 /nfs/dbraw/zinc/08/82/00/1063088200.db2.gz JYJHFOMVXHXERG-QRVBRYPASA-N 1 1 460.648 2.571 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105889 1063089588 /nfs/dbraw/zinc/08/95/88/1063089588.db2.gz PBZTUUZZGCNGPI-RTBURBONSA-N 1 1 460.648 2.584 20 0 JFADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC001291106122 1063092030 /nfs/dbraw/zinc/09/20/30/1063092030.db2.gz RXTLMEZOUMNVTG-KCZVDYSFSA-N 1 1 453.635 2.922 20 0 JFADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(C1)CCCCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC001291106683 1063093532 /nfs/dbraw/zinc/09/35/32/1063093532.db2.gz ZGZRAFKPTQWVJB-NJDAHSKKSA-N 1 1 496.722 2.938 20 0 JFADMO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107735 1063097218 /nfs/dbraw/zinc/09/72/18/1063097218.db2.gz MHHMKPZIIKEIDT-KURKYZTESA-N 1 1 460.573 2.934 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291108318 1063099628 /nfs/dbraw/zinc/09/96/28/1063099628.db2.gz UMZPUAKCBRBXFK-CEXWTWQISA-N 1 1 465.639 2.998 20 0 JFADMO C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291108320 1063099918 /nfs/dbraw/zinc/09/99/18/1063099918.db2.gz UMZPUAKCBRBXFK-QRVBRYPASA-N 1 1 465.639 2.998 20 0 JFADMO C[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001291109464 1063104284 /nfs/dbraw/zinc/10/42/84/1063104284.db2.gz MQKXCVHGXYBEFL-PMACEKPBSA-N 1 1 455.607 2.789 20 0 JFADMO C[C@@H](Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109962 1063106439 /nfs/dbraw/zinc/10/64/39/1063106439.db2.gz UXRZIRYDLHSQPH-HSALFYBXSA-N 1 1 468.712 2.804 20 0 JFADMO CCN(C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295274151 1063114775 /nfs/dbraw/zinc/11/47/75/1063114775.db2.gz VMHUKYTWJQMNQJ-TZIWHRDSSA-N 1 1 496.722 2.543 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccccn2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295291722 1063136863 /nfs/dbraw/zinc/13/68/63/1063136863.db2.gz FWFQIQKSABIGFL-NZQKXSOJSA-N 1 1 450.587 2.929 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123541 1063138524 /nfs/dbraw/zinc/13/85/24/1063138524.db2.gz MJLPPTIRNWXFEV-YADHBBJMSA-N 1 1 497.692 2.824 20 0 JFADMO CC(C)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123688 1063140437 /nfs/dbraw/zinc/14/04/37/1063140437.db2.gz OZEAHKMUXQILBR-NBGIEHNGSA-N 1 1 476.666 2.703 20 0 JFADMO C[C@@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291124402 1063143954 /nfs/dbraw/zinc/14/39/54/1063143954.db2.gz CPFUAHPOYHMSIM-QRVBRYPASA-N 1 1 485.599 2.814 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295293088 1063144064 /nfs/dbraw/zinc/14/40/64/1063144064.db2.gz FUIFPRVWANCNGE-RDGATRHJSA-N 1 1 450.587 2.583 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)C1 ZINC001291124692 1063144602 /nfs/dbraw/zinc/14/46/02/1063144602.db2.gz IPBLYZIHLCOFSK-CTNGQTDRSA-N 1 1 467.680 2.555 20 0 JFADMO CC(C)NC(=O)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291125759 1063149772 /nfs/dbraw/zinc/14/97/72/1063149772.db2.gz ASSKDPYSRMNKMB-SFHVURJKSA-N 1 1 490.052 2.554 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291125691 1063149826 /nfs/dbraw/zinc/14/98/26/1063149826.db2.gz ZGWQZXVMQSNKMO-QZTJIDSGSA-N 1 1 460.573 2.971 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(Cl)c2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126011 1063152152 /nfs/dbraw/zinc/15/21/52/1063152152.db2.gz FIISPIDWYOGTTL-IAGOWNOFSA-N 1 1 469.055 2.910 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126423 1063154536 /nfs/dbraw/zinc/15/45/36/1063154536.db2.gz MEBVPPOJVXTSKF-JTHBVZDNSA-N 1 1 468.646 2.986 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126429 1063155728 /nfs/dbraw/zinc/15/57/28/1063155728.db2.gz MHFPTZOGGLULRT-OALUTQOASA-N 1 1 490.674 2.749 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCC2CCOCC2)C1 ZINC001291126962 1063157859 /nfs/dbraw/zinc/15/78/59/1063157859.db2.gz WKZHGPLOIVBTIO-IBGZPJMESA-N 1 1 455.607 2.910 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291126964 1063158152 /nfs/dbraw/zinc/15/81/52/1063158152.db2.gz WMARPYUGEOVDFK-MSOLQXFVSA-N 1 1 467.611 2.770 20 0 JFADMO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)CCS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126964 1063158157 /nfs/dbraw/zinc/15/81/57/1063158157.db2.gz WMARPYUGEOVDFK-MSOLQXFVSA-N 1 1 467.611 2.770 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(C3CCC3)nnc2N2CC[NH+](CCOC)CC2)cc1 ZINC001295302499 1063160429 /nfs/dbraw/zinc/16/04/29/1063160429.db2.gz RMEKDBSOZLAEAJ-UHFFFAOYSA-N 1 1 454.619 2.844 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291127165 1063161160 /nfs/dbraw/zinc/16/11/60/1063161160.db2.gz ZRWIRLGYSNGOJR-FTEYMNFISA-N 1 1 496.703 2.648 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001291127795 1063162065 /nfs/dbraw/zinc/16/20/65/1063162065.db2.gz MICCRUXTENVDTG-WOJBJXKFSA-N 1 1 470.666 2.789 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001295303093 1063163080 /nfs/dbraw/zinc/16/30/80/1063163080.db2.gz QNXZEDIYVJWZBH-NHCUHLMSSA-N 1 1 495.672 2.963 20 0 JFADMO C[C@H]1CCC[N@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC001291128496 1063164068 /nfs/dbraw/zinc/16/40/68/1063164068.db2.gz YDESSBPYSKZSLF-IBGZPJMESA-N 1 1 498.598 2.502 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCN(CCCOCC(F)(F)F)CC2)C1 ZINC001291128496 1063164077 /nfs/dbraw/zinc/16/40/77/1063164077.db2.gz YDESSBPYSKZSLF-IBGZPJMESA-N 1 1 498.598 2.502 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128770 1063166397 /nfs/dbraw/zinc/16/63/97/1063166397.db2.gz CHGKCHCYGNSZJC-SJBKTWHCSA-N 1 1 460.667 2.891 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001295305834 1063167989 /nfs/dbraw/zinc/16/79/89/1063167989.db2.gz MNCCWDAVNNKWDE-UHFFFAOYSA-N 1 1 498.676 2.711 20 0 JFADMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001295305834 1063167996 /nfs/dbraw/zinc/16/79/96/1063167996.db2.gz MNCCWDAVNNKWDE-UHFFFAOYSA-N 1 1 498.676 2.711 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291129143 1063168592 /nfs/dbraw/zinc/16/85/92/1063168592.db2.gz JJNABUGZRLCPCA-SJORKVTESA-N 1 1 467.586 2.502 20 0 JFADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129495 1063172068 /nfs/dbraw/zinc/17/20/68/1063172068.db2.gz OYLGKPOMRYUUNA-WOJBJXKFSA-N 1 1 472.659 2.882 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291129583 1063173442 /nfs/dbraw/zinc/17/34/42/1063173442.db2.gz REJGICJQYGEAEL-SFTDATJTSA-N 1 1 487.693 2.510 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129855 1063174655 /nfs/dbraw/zinc/17/46/55/1063174655.db2.gz WMITZUCDDUBZCN-GUDVDZBRSA-N 1 1 481.638 2.986 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291129954 1063175519 /nfs/dbraw/zinc/17/55/19/1063175519.db2.gz XUHGJXIDSACNNN-JOCHJYFZSA-N 1 1 469.678 2.790 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291131109 1063177676 /nfs/dbraw/zinc/17/76/76/1063177676.db2.gz VKPKMHQNLLHXDF-SLFFLAALSA-N 1 1 478.638 2.591 20 0 JFADMO C[C@@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291134567 1063184533 /nfs/dbraw/zinc/18/45/33/1063184533.db2.gz KVSPENDRVIIPTK-IRLDBZIGSA-N 1 1 454.619 2.831 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(Br)c2)nnc1N(C)CCN1CCOCC1 ZINC001291135828 1063188930 /nfs/dbraw/zinc/18/89/30/1063188930.db2.gz KSAIJBUNCJSXGQ-GOSISDBHSA-N 1 1 477.451 2.960 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001291136249 1063192023 /nfs/dbraw/zinc/19/20/23/1063192023.db2.gz SZEOATIPCZRQTG-SJORKVTESA-N 1 1 458.529 2.546 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291137366 1063195541 /nfs/dbraw/zinc/19/55/41/1063195541.db2.gz PGPLIRWNHXVDBE-ROUUACIJSA-N 1 1 458.611 2.609 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291137699 1063198017 /nfs/dbraw/zinc/19/80/17/1063198017.db2.gz WCHWFXOZFGVXEP-QGZVFWFLSA-N 1 1 456.591 2.552 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291137958 1063198768 /nfs/dbraw/zinc/19/87/68/1063198768.db2.gz AHSNTBPQTQPBAK-RBBKRZOGSA-N 1 1 459.660 2.951 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291137956 1063198918 /nfs/dbraw/zinc/19/89/18/1063198918.db2.gz AHSNTBPQTQPBAK-IFMALSPDSA-N 1 1 459.660 2.951 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291137957 1063199026 /nfs/dbraw/zinc/19/90/26/1063199026.db2.gz AHSNTBPQTQPBAK-IRLDBZIGSA-N 1 1 459.660 2.951 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291138657 1063200808 /nfs/dbraw/zinc/20/08/08/1063200808.db2.gz NQXICROTMFYNSW-MRXNPFEDSA-N 1 1 467.586 2.645 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291139075 1063202038 /nfs/dbraw/zinc/20/20/38/1063202038.db2.gz VJPQJBUYWRRZKC-ICSRJNTNSA-N 1 1 455.607 2.852 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291139215 1063202172 /nfs/dbraw/zinc/20/21/72/1063202172.db2.gz XYLKQVDAAACNAS-OAHLLOKOSA-N 1 1 477.038 2.777 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139101 1063202238 /nfs/dbraw/zinc/20/22/38/1063202238.db2.gz VWLQDJZKKWBYMR-QZTJIDSGSA-N 1 1 477.654 2.577 20 0 JFADMO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139230 1063202993 /nfs/dbraw/zinc/20/29/93/1063202993.db2.gz YGENQECMAPHXOG-QKNQBKEWSA-N 1 1 475.659 2.828 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C ZINC001291140409 1063208909 /nfs/dbraw/zinc/20/89/09/1063208909.db2.gz XOKNALPBJDECOP-OAQYLSRUSA-N 1 1 459.683 2.585 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140478 1063208945 /nfs/dbraw/zinc/20/89/45/1063208945.db2.gz ZFURNDJGBDIEOO-ZWKOTPCHSA-N 1 1 450.628 2.790 20 0 JFADMO CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 ZINC001291142933 1063220581 /nfs/dbraw/zinc/22/05/81/1063220581.db2.gz OJUOYNUVWOGWCD-OAQYLSRUSA-N 1 1 488.702 2.999 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224398 /nfs/dbraw/zinc/22/43/98/1063224398.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 1 1 467.662 2.810 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001295327546 1063225247 /nfs/dbraw/zinc/22/52/47/1063225247.db2.gz WWTDNOFOGVPQCC-MHZLTWQESA-N 1 1 493.656 2.572 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2)CC1 ZINC001295327546 1063225268 /nfs/dbraw/zinc/22/52/68/1063225268.db2.gz WWTDNOFOGVPQCC-MHZLTWQESA-N 1 1 493.656 2.572 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001295330443 1063230131 /nfs/dbraw/zinc/23/01/31/1063230131.db2.gz XUOSVPYQFVKCGC-UHFFFAOYSA-N 1 1 497.688 2.770 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001295330443 1063230152 /nfs/dbraw/zinc/23/01/52/1063230152.db2.gz XUOSVPYQFVKCGC-UHFFFAOYSA-N 1 1 497.688 2.770 20 0 JFADMO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291146525 1063231100 /nfs/dbraw/zinc/23/11/00/1063231100.db2.gz GMDWEWUZZPUMMH-FXAWDEMLSA-N 1 1 461.010 2.555 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OC)CC1 ZINC001295333980 1063234665 /nfs/dbraw/zinc/23/46/65/1063234665.db2.gz FMTRNSRDGLFYHP-UHFFFAOYSA-N 1 1 471.650 2.699 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2Cc2cccnc2OC)CC1 ZINC001295333980 1063234685 /nfs/dbraw/zinc/23/46/85/1063234685.db2.gz FMTRNSRDGLFYHP-UHFFFAOYSA-N 1 1 471.650 2.699 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001295334488 1063240869 /nfs/dbraw/zinc/24/08/69/1063240869.db2.gz PPEACNLLLFSKHW-NLFFAJNJSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001295334488 1063240890 /nfs/dbraw/zinc/24/08/90/1063240890.db2.gz PPEACNLLLFSKHW-NLFFAJNJSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001295334808 1063242308 /nfs/dbraw/zinc/24/23/08/1063242308.db2.gz SZRGGMRUSJSCBZ-HOFKKMOUSA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001295334808 1063242326 /nfs/dbraw/zinc/24/23/26/1063242326.db2.gz SZRGGMRUSJSCBZ-HOFKKMOUSA-N 1 1 497.688 2.992 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)C(C)C)CC1 ZINC001295334861 1063244422 /nfs/dbraw/zinc/24/44/22/1063244422.db2.gz UYBOJKIOZRHVFL-MHZLTWQESA-N 1 1 484.689 2.965 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)C(C)C)CC1 ZINC001295334861 1063244439 /nfs/dbraw/zinc/24/44/39/1063244439.db2.gz UYBOJKIOZRHVFL-MHZLTWQESA-N 1 1 484.689 2.965 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295334863 1063244908 /nfs/dbraw/zinc/24/49/08/1063244908.db2.gz UYCVKBMFXAVWCF-HYBUGGRVSA-N 1 1 478.707 2.838 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295334863 1063244933 /nfs/dbraw/zinc/24/49/33/1063244933.db2.gz UYCVKBMFXAVWCF-HYBUGGRVSA-N 1 1 478.707 2.838 20 0 JFADMO C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291162078 1063247098 /nfs/dbraw/zinc/24/70/98/1063247098.db2.gz KTWNHSLDKKIKGM-PKOBYXMFSA-N 1 1 462.545 2.612 20 0 JFADMO C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC001291162077 1063247200 /nfs/dbraw/zinc/24/72/00/1063247200.db2.gz KTWNHSLDKKIKGM-MJGOQNOKSA-N 1 1 462.545 2.612 20 0 JFADMO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001291165185 1063249625 /nfs/dbraw/zinc/24/96/25/1063249625.db2.gz HEDFXIPZFZBOLM-RRQZXNHTSA-N 1 1 476.666 2.942 20 0 JFADMO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171750 1063260394 /nfs/dbraw/zinc/26/03/94/1063260394.db2.gz QFUCIVYNLJJVTM-SJBKTWHCSA-N 1 1 453.635 2.689 20 0 JFADMO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291171875 1063260688 /nfs/dbraw/zinc/26/06/88/1063260688.db2.gz SHLPXFAFQCODAY-OAQYLSRUSA-N 1 1 461.614 2.843 20 0 JFADMO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177287 1063264857 /nfs/dbraw/zinc/26/48/57/1063264857.db2.gz PYWLTCAYUKUPFZ-UYAOXDASSA-N 1 1 458.582 2.785 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295338405 1063266097 /nfs/dbraw/zinc/26/60/97/1063266097.db2.gz ODSLUOKUVQEDLT-YADHBBJMSA-N 1 1 475.726 2.978 20 0 JFADMO CC1CC[NH+](CCn2c(Cn3ccc4ccccc43)nnc2N(C)CCCS(C)(=O)=O)CC1 ZINC001291185489 1063285819 /nfs/dbraw/zinc/28/58/19/1063285819.db2.gz GMJAAVVBHAWJQQ-UHFFFAOYSA-N 1 1 472.659 2.884 20 0 JFADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001291187684 1063296759 /nfs/dbraw/zinc/29/67/59/1063296759.db2.gz YAPBSPJSETUHRR-HDICACEKSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCOCC2)C[C@H](C)O1 ZINC001291187684 1063296778 /nfs/dbraw/zinc/29/67/78/1063296778.db2.gz YAPBSPJSETUHRR-HDICACEKSA-N 1 1 491.036 2.586 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187454 1063296830 /nfs/dbraw/zinc/29/68/30/1063296830.db2.gz USEHEPBJAOCVMT-SSTJLMRISA-N 1 1 496.722 2.935 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001291187687 1063297259 /nfs/dbraw/zinc/29/72/59/1063297259.db2.gz YCONZFCCFYJKLP-CALCHBBNSA-N 1 1 492.571 2.761 20 0 JFADMO C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187970 1063299776 /nfs/dbraw/zinc/29/97/76/1063299776.db2.gz BZBWOLHIZUFSBR-SFTDATJTSA-N 1 1 489.709 2.599 20 0 JFADMO C[C@H]1CN(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187970 1063299796 /nfs/dbraw/zinc/29/97/96/1063299796.db2.gz BZBWOLHIZUFSBR-SFTDATJTSA-N 1 1 489.709 2.599 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(N3CCC(C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188327 1063302448 /nfs/dbraw/zinc/30/24/48/1063302448.db2.gz IJJVNVMWXINKKY-BGYRXZFFSA-N 1 1 490.693 2.539 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001295353243 1063303071 /nfs/dbraw/zinc/30/30/71/1063303071.db2.gz QVHJKNBERAOXOU-SFTDATJTSA-N 1 1 456.591 2.542 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001295353241 1063303327 /nfs/dbraw/zinc/30/33/27/1063303327.db2.gz QVHJKNBERAOXOU-NHCUHLMSSA-N 1 1 456.591 2.542 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291189249 1063308127 /nfs/dbraw/zinc/30/81/27/1063308127.db2.gz YCIRROMZBCUHTC-HSALFYBXSA-N 1 1 460.667 2.956 20 0 JFADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001291189428 1063309797 /nfs/dbraw/zinc/30/97/97/1063309797.db2.gz BAAFOIPPDYJGMB-OAHLLOKOSA-N 1 1 478.439 2.825 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001295355690 1063310597 /nfs/dbraw/zinc/31/05/97/1063310597.db2.gz VNWXVYANEVBLPN-UHFFFAOYSA-N 1 1 459.664 2.999 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC001295358399 1063315329 /nfs/dbraw/zinc/31/53/29/1063315329.db2.gz JNGQTGZKAYQQST-JOCHJYFZSA-N 1 1 467.662 2.875 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295366161 1063329505 /nfs/dbraw/zinc/32/95/05/1063329505.db2.gz NFSMQCUMCIHMTN-OALUTQOASA-N 1 1 462.664 2.609 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195918 1063335892 /nfs/dbraw/zinc/33/58/92/1063335892.db2.gz ANXYNNDLTMFEPC-ROUUACIJSA-N 1 1 485.599 2.707 20 0 JFADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001291197790 1063344914 /nfs/dbraw/zinc/34/49/14/1063344914.db2.gz JYRWLKAEEAAMLY-ROUUACIJSA-N 1 1 498.632 2.854 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295383914 1063357858 /nfs/dbraw/zinc/35/78/58/1063357858.db2.gz CZWCFHKWFSOBRL-SMIHKQSGSA-N 1 1 483.705 2.987 20 0 JFADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201873 1063357832 /nfs/dbraw/zinc/35/78/32/1063357832.db2.gz CWVXGZIPNBKQRJ-IKGGRYGDSA-N 1 1 474.572 2.674 20 0 JFADMO CC(C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291205447 1063364106 /nfs/dbraw/zinc/36/41/06/1063364106.db2.gz JANXAEGNXJAAAN-IBGZPJMESA-N 1 1 460.648 2.691 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001291207350 1063374191 /nfs/dbraw/zinc/37/41/91/1063374191.db2.gz JSRDZOODCSXJHP-MSOLQXFVSA-N 1 1 470.684 2.547 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001291207352 1063374369 /nfs/dbraw/zinc/37/43/69/1063374369.db2.gz JSRDZOODCSXJHP-ROUUACIJSA-N 1 1 470.684 2.547 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCCC(F)(F)F ZINC001291207697 1063376167 /nfs/dbraw/zinc/37/61/67/1063376167.db2.gz NTWDYPZWYMUZRL-GJZGRUSLSA-N 1 1 466.574 2.541 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001291208598 1063381562 /nfs/dbraw/zinc/38/15/62/1063381562.db2.gz ZMWXKBAGOMXOQG-WERVVEIQSA-N 1 1 482.695 2.547 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC001295404432 1063390449 /nfs/dbraw/zinc/39/04/49/1063390449.db2.gz CITNDCKFLWAFGC-BWPNAZKDSA-N 1 1 481.688 2.938 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1)c1ccsc1 ZINC001295405250 1063393193 /nfs/dbraw/zinc/39/31/93/1063393193.db2.gz GJLZFCVIGMBBMY-GUDVDZBRSA-N 1 1 467.661 2.550 20 0 JFADMO CC[NH+](CC)[C@@H](Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC001295406183 1063395693 /nfs/dbraw/zinc/39/56/93/1063395693.db2.gz VWCYDMLVBJRGKE-CVDCTZTESA-N 1 1 479.647 2.564 20 0 JFADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215769 1063429286 /nfs/dbraw/zinc/42/92/86/1063429286.db2.gz VNKJIZCNAQXBSU-MOPGFXCFSA-N 1 1 461.632 2.694 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291219830 1063448299 /nfs/dbraw/zinc/44/82/99/1063448299.db2.gz SEENWAJGCWDQQP-MRXNPFEDSA-N 1 1 452.024 2.954 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001291220144 1063448424 /nfs/dbraw/zinc/44/84/24/1063448424.db2.gz YFDDYKVIIVPZTE-NQIIRXRSSA-N 1 1 496.077 2.970 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291221191 1063451116 /nfs/dbraw/zinc/45/11/16/1063451116.db2.gz QWUAYDRXCNYZEY-OXQOHEQNSA-N 1 1 479.000 2.763 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291230109 1063483179 /nfs/dbraw/zinc/48/31/79/1063483179.db2.gz UYWOCJGKPYIFKS-MOPGFXCFSA-N 1 1 481.567 2.650 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237739 1063504225 /nfs/dbraw/zinc/50/42/25/1063504225.db2.gz CJQITTLOAWRVEK-ZIFCJYIRSA-N 1 1 456.595 2.569 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241744 1063513248 /nfs/dbraw/zinc/51/32/48/1063513248.db2.gz SHCUVFALGMTVIY-QRVBRYPASA-N 1 1 477.654 2.558 20 0 JFADMO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)C)CC2)cc1 ZINC001295494376 1063529464 /nfs/dbraw/zinc/52/94/64/1063529464.db2.gz ODDOQZXDILPLSA-UHFFFAOYSA-N 1 1 467.662 2.935 20 0 JFADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001291253145 1063535152 /nfs/dbraw/zinc/53/51/52/1063535152.db2.gz DSTMRLGBPMIMJN-ICSRJNTNSA-N 1 1 461.632 2.698 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291259851 1063552705 /nfs/dbraw/zinc/55/27/05/1063552705.db2.gz ZHSKSFVOKRPWQV-OALUTQOASA-N 1 1 464.655 2.938 20 0 JFADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291259852 1063553398 /nfs/dbraw/zinc/55/33/98/1063553398.db2.gz ZHSKSFVOKRPWQV-RBUKOAKNSA-N 1 1 464.655 2.938 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001295521004 1063557405 /nfs/dbraw/zinc/55/74/05/1063557405.db2.gz YZPKJRQXJDOGAF-BVYCBKJFSA-N 1 1 457.596 2.673 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001295521004 1063557421 /nfs/dbraw/zinc/55/74/21/1063557421.db2.gz YZPKJRQXJDOGAF-BVYCBKJFSA-N 1 1 457.596 2.673 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001295521005 1063557514 /nfs/dbraw/zinc/55/75/14/1063557514.db2.gz YZPKJRQXJDOGAF-STZQEDGTSA-N 1 1 457.596 2.673 20 0 JFADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001295521005 1063557526 /nfs/dbraw/zinc/55/75/26/1063557526.db2.gz YZPKJRQXJDOGAF-STZQEDGTSA-N 1 1 457.596 2.673 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291262943 1063561044 /nfs/dbraw/zinc/56/10/44/1063561044.db2.gz CCRYGNBOYKXEPO-CTNGQTDRSA-N 1 1 499.660 2.724 20 0 JFADMO C[C@@H]1CN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001291269585 1063574986 /nfs/dbraw/zinc/57/49/86/1063574986.db2.gz RUTPYCJIHLITFD-GOSISDBHSA-N 1 1 462.639 2.787 20 0 JFADMO C[C@H]1CN(c2nnc(CC3CC3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291270579 1063576407 /nfs/dbraw/zinc/57/64/07/1063576407.db2.gz KOTGQFHKPNKBQJ-PKOBYXMFSA-N 1 1 458.573 2.540 20 0 JFADMO C[C@H]1CN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)CCN1CC(F)(F)F ZINC001291272915 1063577507 /nfs/dbraw/zinc/57/75/07/1063577507.db2.gz ZTZFSWWGXKAGJQ-SFHVURJKSA-N 1 1 458.573 2.806 20 0 JFADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291276921 1063588683 /nfs/dbraw/zinc/58/86/83/1063588683.db2.gz UWKNWQQTRLSXGK-BGYRXZFFSA-N 1 1 454.619 2.903 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001295560299 1063593441 /nfs/dbraw/zinc/59/34/41/1063593441.db2.gz KGDNRDPEQADWEK-ZJSXRUAMSA-N 1 1 463.630 2.926 20 0 JFADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001291280298 1063602583 /nfs/dbraw/zinc/60/25/83/1063602583.db2.gz DCYHWJPPUJACEU-UYAOXDASSA-N 1 1 464.010 2.973 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291282375 1063612532 /nfs/dbraw/zinc/61/25/32/1063612532.db2.gz OMNQBCJYHZYDNN-LJFZDNNRSA-N 1 1 461.582 2.560 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291282373 1063612557 /nfs/dbraw/zinc/61/25/57/1063612557.db2.gz OMNQBCJYHZYDNN-DRMXPCRNSA-N 1 1 461.582 2.560 20 0 JFADMO CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001295576072 1063614531 /nfs/dbraw/zinc/61/45/31/1063614531.db2.gz PFEDUWLBOJURMW-CVEARBPZSA-N 1 1 493.584 2.652 20 0 JFADMO COc1c(NC(=O)[C@H](C[N@@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1C(N)=O ZINC001295581197 1063624312 /nfs/dbraw/zinc/62/43/12/1063624312.db2.gz WUSSWHZITVDZES-IBGZPJMESA-N 1 1 456.543 2.758 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295583029 1063626492 /nfs/dbraw/zinc/62/64/92/1063626492.db2.gz FIZYVEIMYZBVQA-UHFFFAOYSA-N 1 1 492.628 2.574 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286307 1063630794 /nfs/dbraw/zinc/63/07/94/1063630794.db2.gz HDHKYTPQIQCMDP-IVAOSVALSA-N 1 1 492.665 2.716 20 0 JFADMO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001295585598 1063632303 /nfs/dbraw/zinc/63/23/03/1063632303.db2.gz WQOYLHGCCINTSL-AREMUKBSSA-N 1 1 468.646 2.806 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287398 1063638919 /nfs/dbraw/zinc/63/89/19/1063638919.db2.gz AVDNALGDHLERBM-NRFANRHFSA-N 1 1 454.619 2.865 20 0 JFADMO CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001295599946 1063644802 /nfs/dbraw/zinc/64/48/02/1063644802.db2.gz CSIAGJAKFVNBQV-SFHVURJKSA-N 1 1 451.539 2.756 20 0 JFADMO CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC001295599946 1063644808 /nfs/dbraw/zinc/64/48/08/1063644808.db2.gz CSIAGJAKFVNBQV-SFHVURJKSA-N 1 1 451.539 2.756 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001291288751 1063652432 /nfs/dbraw/zinc/65/24/32/1063652432.db2.gz XYYAGBLOUDKJNA-KDURUIRLSA-N 1 1 458.582 2.789 20 0 JFADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F ZINC001291288796 1063652469 /nfs/dbraw/zinc/65/24/69/1063652469.db2.gz YMAAHLDIYJLLHE-INIZCTEOSA-N 1 1 450.509 2.935 20 0 JFADMO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001295606521 1063653468 /nfs/dbraw/zinc/65/34/68/1063653468.db2.gz BBZIUQZPDVFYII-UXHICEINSA-N 1 1 491.658 2.708 20 0 JFADMO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001295606523 1063653526 /nfs/dbraw/zinc/65/35/26/1063653526.db2.gz BBZIUQZPDVFYII-WOJBJXKFSA-N 1 1 491.658 2.708 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CCN1CC(F)(F)F ZINC001291289169 1063654871 /nfs/dbraw/zinc/65/48/71/1063654871.db2.gz FQIDZTGUBNZBOJ-RBUKOAKNSA-N 1 1 481.567 2.914 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291289203 1063655659 /nfs/dbraw/zinc/65/56/59/1063655659.db2.gz GEQSHJGCWYELQB-HDICACEKSA-N 1 1 458.582 2.675 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001291289532 1063657402 /nfs/dbraw/zinc/65/74/02/1063657402.db2.gz LWEPEPLMGZTULM-MRXNPFEDSA-N 1 1 489.564 2.848 20 0 JFADMO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291289549 1063657477 /nfs/dbraw/zinc/65/74/77/1063657477.db2.gz MDGXKMSTOUPWSY-QGZVFWFLSA-N 1 1 496.475 2.777 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@H](C)O1 ZINC001291289716 1063658934 /nfs/dbraw/zinc/65/89/34/1063658934.db2.gz OSFCYCSCVKUFDR-NSHGMRRFSA-N 1 1 494.562 2.949 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCO1 ZINC001291289924 1063660443 /nfs/dbraw/zinc/66/04/43/1063660443.db2.gz RYAKMHFNIKKJHR-FQEVSTJZSA-N 1 1 469.634 2.536 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@H](C)O1 ZINC001291290445 1063665013 /nfs/dbraw/zinc/66/50/13/1063665013.db2.gz ABLCTQVGNWFILV-BGYRXZFFSA-N 1 1 460.667 2.815 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291291288 1063668333 /nfs/dbraw/zinc/66/83/33/1063668333.db2.gz MULDXGANHFDGOR-MHTWAQMVSA-N 1 1 492.665 2.775 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291292118 1063674141 /nfs/dbraw/zinc/67/41/41/1063674141.db2.gz ZBMFQTQLDCNBML-JZXOWHBKSA-N 1 1 455.529 2.957 20 0 JFADMO C[C@H]1C[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291292242 1063674957 /nfs/dbraw/zinc/67/49/57/1063674957.db2.gz BCDBSCZEXGOGBT-ROUUACIJSA-N 1 1 466.051 2.590 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292741 1063678397 /nfs/dbraw/zinc/67/83/97/1063678397.db2.gz ISALJYWFJBFCLG-XJUOHMSHSA-N 1 1 483.661 2.504 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293418 1063684428 /nfs/dbraw/zinc/68/44/28/1063684428.db2.gz UQMVTRCMQWACKZ-KDURUIRLSA-N 1 1 474.625 2.858 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291293783 1063686258 /nfs/dbraw/zinc/68/62/58/1063686258.db2.gz ZLYVKSZXIFAXJX-FCHUYYIVSA-N 1 1 468.646 2.621 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291293621 1063686309 /nfs/dbraw/zinc/68/63/09/1063686309.db2.gz XHTVFSGLUVTWJU-QHAWAJNXSA-N 1 1 460.667 2.957 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293923 1063686914 /nfs/dbraw/zinc/68/69/14/1063686914.db2.gz BUZMCCMWNCMSKZ-AEFFLSMTSA-N 1 1 483.585 2.693 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294432 1063689746 /nfs/dbraw/zinc/68/97/46/1063689746.db2.gz JILMHBUNBSCLLL-ICSRJNTNSA-N 1 1 489.665 2.544 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001291295378 1063694926 /nfs/dbraw/zinc/69/49/26/1063694926.db2.gz YHVBLRKNQOSPBO-KZNAEPCWSA-N 1 1 484.605 2.512 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001295659541 1063701223 /nfs/dbraw/zinc/70/12/23/1063701223.db2.gz FDQVAWHGAVLDSF-NQIIRXRSSA-N 1 1 450.591 2.510 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001295661725 1063703197 /nfs/dbraw/zinc/70/31/97/1063703197.db2.gz GKWKKQDEVRPLAT-QHCPKHFHSA-N 1 1 499.685 2.829 20 0 JFADMO C[C@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291302035 1063711321 /nfs/dbraw/zinc/71/13/21/1063711321.db2.gz OWHBYGHMFFMYTB-IBGZPJMESA-N 1 1 490.674 2.685 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2ccc(F)cc2Br)n1CCC[NH+]1CCOCC1 ZINC001291303012 1063712932 /nfs/dbraw/zinc/71/29/32/1063712932.db2.gz KQOTTYPFPSJENW-OAHLLOKOSA-N 1 1 468.371 2.794 20 0 JFADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc2)CC1 ZINC001295683052 1063718401 /nfs/dbraw/zinc/71/84/01/1063718401.db2.gz IMLYKIUINHACAJ-SFHVURJKSA-N 1 1 454.518 2.838 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291307656 1063725719 /nfs/dbraw/zinc/72/57/19/1063725719.db2.gz YLKPJHASJVOZKW-SFHVURJKSA-N 1 1 490.052 2.797 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291307656 1063725732 /nfs/dbraw/zinc/72/57/32/1063725732.db2.gz YLKPJHASJVOZKW-SFHVURJKSA-N 1 1 490.052 2.797 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001291308325 1063728751 /nfs/dbraw/zinc/72/87/51/1063728751.db2.gz LUYBMIBFARXBTC-AWEZNQCLSA-N 1 1 478.420 2.916 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(Br)cs1 ZINC001291308325 1063728764 /nfs/dbraw/zinc/72/87/64/1063728764.db2.gz LUYBMIBFARXBTC-AWEZNQCLSA-N 1 1 478.420 2.916 20 0 JFADMO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295722317 1063737788 /nfs/dbraw/zinc/73/77/88/1063737788.db2.gz KGFXMEJDNNMCHV-RXVVDRJESA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310769 1063740995 /nfs/dbraw/zinc/74/09/95/1063740995.db2.gz HOZFQYRTSLFJIE-SJLPKXTDSA-N 1 1 478.066 2.878 20 0 JFADMO C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291314326 1063746627 /nfs/dbraw/zinc/74/66/27/1063746627.db2.gz ZAYLSJPZSSATPE-IEBWSBKVSA-N 1 1 462.689 2.815 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295741834 1063749576 /nfs/dbraw/zinc/74/95/76/1063749576.db2.gz CWXNIWHXDSOLEE-HDAAZOAOSA-N 1 1 451.608 2.898 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3CCCC[C@H]3CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295741834 1063749591 /nfs/dbraw/zinc/74/95/91/1063749591.db2.gz CWXNIWHXDSOLEE-HDAAZOAOSA-N 1 1 451.608 2.898 20 0 JFADMO C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291323559 1063770095 /nfs/dbraw/zinc/77/00/95/1063770095.db2.gz MGCMRMRMPXBGPC-CJFMBICVSA-N 1 1 457.619 2.608 20 0 JFADMO C[C@@H]1SCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001291331380 1063787058 /nfs/dbraw/zinc/78/70/58/1063787058.db2.gz IKYPLZSVRCDTDF-IRFCIJBXSA-N 1 1 471.675 2.537 20 0 JFADMO CCN(CCC1CC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295792948 1063790204 /nfs/dbraw/zinc/79/02/04/1063790204.db2.gz ZZABTVWFJCRHKF-QHCPKHFHSA-N 1 1 461.010 2.555 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291335384 1063796169 /nfs/dbraw/zinc/79/61/69/1063796169.db2.gz PHHFKXWULHBEGB-UNMCSNQZSA-N 1 1 481.645 2.984 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001291337120 1063803317 /nfs/dbraw/zinc/80/33/17/1063803317.db2.gz UXMYBOCRIOKLCI-YZIHRLCOSA-N 1 1 490.693 2.934 20 0 JFADMO CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295810239 1063805122 /nfs/dbraw/zinc/80/51/22/1063805122.db2.gz FMMRITACKDECBO-IBGZPJMESA-N 1 1 470.684 2.502 20 0 JFADMO CCN(CCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)S(C)(=O)=O ZINC001295810551 1063805914 /nfs/dbraw/zinc/80/59/14/1063805914.db2.gz KIMKLECTKJUMEE-UHFFFAOYSA-N 1 1 478.638 2.679 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)C1 ZINC001291339224 1063811875 /nfs/dbraw/zinc/81/18/75/1063811875.db2.gz KBCIYLZEYDSTHZ-SFHVURJKSA-N 1 1 461.010 2.816 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C1 ZINC001291339406 1063812930 /nfs/dbraw/zinc/81/29/30/1063812930.db2.gz NCBOLPZCMHWUKH-LJQANCHMSA-N 1 1 467.574 2.662 20 0 JFADMO CCN(CCCn1c(CC(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)S(C)(=O)=O ZINC001295814379 1063814265 /nfs/dbraw/zinc/81/42/65/1063814265.db2.gz MEAWYAIFOCIVGN-CTNGQTDRSA-N 1 1 466.696 2.601 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cc2)CC1)C(C)C ZINC001295815631 1063819851 /nfs/dbraw/zinc/81/98/51/1063819851.db2.gz KPZINXKHOJODDM-UHFFFAOYSA-N 1 1 457.598 2.710 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C(C)C ZINC001295816128 1063821312 /nfs/dbraw/zinc/82/13/12/1063821312.db2.gz UKOZIVHRQSLBRA-UHFFFAOYSA-N 1 1 477.654 2.738 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccc(Br)cc2C1)C(C)C ZINC001295819918 1063824017 /nfs/dbraw/zinc/82/40/17/1063824017.db2.gz WKUCCOXZJWZRIV-OAHLLOKOSA-N 1 1 499.479 2.901 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC001295822586 1063829079 /nfs/dbraw/zinc/82/90/79/1063829079.db2.gz BNXQDISUYYLEJV-NRFANRHFSA-N 1 1 461.408 2.894 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC001295822587 1063829195 /nfs/dbraw/zinc/82/91/95/1063829195.db2.gz BNXQDISUYYLEJV-OAQYLSRUSA-N 1 1 461.408 2.894 20 0 JFADMO CCN(CCn1c(C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(=O)OC(C)(C)C ZINC001295823603 1063829968 /nfs/dbraw/zinc/82/99/68/1063829968.db2.gz PLMMCWMAXCRZAD-UHFFFAOYSA-N 1 1 460.627 2.516 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001291344455 1063832554 /nfs/dbraw/zinc/83/25/54/1063832554.db2.gz CVUFFQTWLZUFCA-FCHUYYIVSA-N 1 1 489.064 2.864 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)CCC(F)(F)F ZINC001295824814 1063832869 /nfs/dbraw/zinc/83/28/69/1063832869.db2.gz IRSICOLEHFKDNK-INIZCTEOSA-N 1 1 468.524 2.895 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)NC)C1)C1CC1 ZINC001295825516 1063834632 /nfs/dbraw/zinc/83/46/32/1063834632.db2.gz YCAXPLRYZCNVKO-KRWDZBQOSA-N 1 1 462.545 2.993 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344878 1063835090 /nfs/dbraw/zinc/83/50/90/1063835090.db2.gz MEQKSDFDVZSBNT-XZOQPEGZSA-N 1 1 498.672 2.729 20 0 JFADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001295827229 1063836534 /nfs/dbraw/zinc/83/65/34/1063836534.db2.gz AOQCWFVSQODHAL-DEOSSOPVSA-N 1 1 457.018 2.579 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H]1C ZINC001295829596 1063841377 /nfs/dbraw/zinc/84/13/77/1063841377.db2.gz SUOWQJCPHSMPGC-HUUCEWRRSA-N 1 1 457.556 2.624 20 0 JFADMO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295829451 1063841474 /nfs/dbraw/zinc/84/14/74/1063841474.db2.gz JLNHZNFKZMKNHH-SFHVURJKSA-N 1 1 460.579 2.624 20 0 JFADMO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295829451 1063841482 /nfs/dbraw/zinc/84/14/82/1063841482.db2.gz JLNHZNFKZMKNHH-SFHVURJKSA-N 1 1 460.579 2.624 20 0 JFADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@@H]1C ZINC001295829594 1063841657 /nfs/dbraw/zinc/84/16/57/1063841657.db2.gz SUOWQJCPHSMPGC-GJZGRUSLSA-N 1 1 457.556 2.624 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)C(C)C ZINC001295830069 1063842721 /nfs/dbraw/zinc/84/27/21/1063842721.db2.gz LDZAODKSIFFSAR-ICSRJNTNSA-N 1 1 462.042 2.881 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1)CCC(F)(F)F ZINC001295830283 1063844043 /nfs/dbraw/zinc/84/40/43/1063844043.db2.gz REFRJYXDUIODNF-UHFFFAOYSA-N 1 1 479.507 2.777 20 0 JFADMO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295830087 1063844263 /nfs/dbraw/zinc/84/42/63/1063844263.db2.gz LQFYMRCUYADWAC-GOSISDBHSA-N 1 1 492.024 2.771 20 0 JFADMO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(=O)OC(C)(C)C ZINC001295830087 1063844277 /nfs/dbraw/zinc/84/42/77/1063844277.db2.gz LQFYMRCUYADWAC-GOSISDBHSA-N 1 1 492.024 2.771 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001291346701 1063845534 /nfs/dbraw/zinc/84/55/34/1063845534.db2.gz YDKOMPFTVKZOQI-LEWJYISDSA-N 1 1 454.619 2.879 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001291346703 1063845961 /nfs/dbraw/zinc/84/59/61/1063845961.db2.gz YDKOMPFTVKZOQI-RTWAWAEBSA-N 1 1 454.619 2.879 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001291346999 1063847405 /nfs/dbraw/zinc/84/74/05/1063847405.db2.gz DGQFYKDVPMMDBC-FYYLOGMGSA-N 1 1 498.672 2.937 20 0 JFADMO C[N@@H+](CCCO)C1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001295833549 1063848188 /nfs/dbraw/zinc/84/81/88/1063848188.db2.gz WILFWMIGARNROR-QHCPKHFHSA-N 1 1 454.571 2.884 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295835283 1063851326 /nfs/dbraw/zinc/85/13/26/1063851326.db2.gz AMIJTUBMKXHQKE-OAQYLSRUSA-N 1 1 468.524 2.930 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C ZINC001295835563 1063852109 /nfs/dbraw/zinc/85/21/09/1063852109.db2.gz GZMSFUUOKTVAIG-UHFFFAOYSA-N 1 1 469.055 2.801 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC001295838072 1063856036 /nfs/dbraw/zinc/85/60/36/1063856036.db2.gz SILKXRWMUURNBE-PKTZIBPZSA-N 1 1 496.704 2.887 20 0 JFADMO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)C1)CCC(F)(F)F ZINC001295838353 1063856729 /nfs/dbraw/zinc/85/67/29/1063856729.db2.gz WAMPQHHMQGANOK-UHFFFAOYSA-N 1 1 469.556 2.863 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC001295838628 1063857338 /nfs/dbraw/zinc/85/73/38/1063857338.db2.gz KNOSTRHYNGZEBT-LPHOPBHVSA-N 1 1 458.611 2.512 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC001295841505 1063860533 /nfs/dbraw/zinc/86/05/33/1063860533.db2.gz HSUUZRUCWOIIML-KDURUIRLSA-N 1 1 470.622 2.769 20 0 JFADMO CC[N@@H+](CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)C1CC1 ZINC001295841605 1063861508 /nfs/dbraw/zinc/86/15/08/1063861508.db2.gz KYDBJGVDIPCSJJ-SFHVURJKSA-N 1 1 454.623 2.597 20 0 JFADMO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[C@H](CN2CCOCC2)C1)CCC(F)(F)F ZINC001295845144 1063865395 /nfs/dbraw/zinc/86/53/95/1063865395.db2.gz JKPSBEUMKHELAR-GOSISDBHSA-N 1 1 458.573 2.978 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC001295845617 1063867216 /nfs/dbraw/zinc/86/72/16/1063867216.db2.gz QUFNQFNKBMHROV-VXKWHMMOSA-N 1 1 454.619 2.798 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001295848438 1063872046 /nfs/dbraw/zinc/87/20/46/1063872046.db2.gz LUYSGMXVIQJJGR-WOJBJXKFSA-N 1 1 491.681 2.790 20 0 JFADMO CCN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295850155 1063873561 /nfs/dbraw/zinc/87/35/61/1063873561.db2.gz VAJQFYOFSLDXHU-NLFFAJNJSA-N 1 1 492.665 2.730 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1)CCC(F)(F)F ZINC001295853419 1063880412 /nfs/dbraw/zinc/88/04/12/1063880412.db2.gz PXBPKBFKZVAQML-PMACEKPBSA-N 1 1 499.582 2.857 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291365167 1063885406 /nfs/dbraw/zinc/88/54/06/1063885406.db2.gz DPEDCMFEZKJASQ-NXMSCROESA-N 1 1 461.607 2.669 20 0 JFADMO CC[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291365167 1063885420 /nfs/dbraw/zinc/88/54/20/1063885420.db2.gz DPEDCMFEZKJASQ-NXMSCROESA-N 1 1 461.607 2.669 20 0 JFADMO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(C)C ZINC001295856476 1063887193 /nfs/dbraw/zinc/88/71/93/1063887193.db2.gz MFJHGGOKZAKCTL-UHFFFAOYSA-N 1 1 472.682 2.977 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)C1CC1 ZINC001295857912 1063888338 /nfs/dbraw/zinc/88/83/38/1063888338.db2.gz UQEWNHAAIYYBCZ-GHTZIAJQSA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1)C(C)C ZINC001295858635 1063888875 /nfs/dbraw/zinc/88/88/75/1063888875.db2.gz AUCTTYZDJMQCLH-UHFFFAOYSA-N 1 1 452.607 2.613 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)CCC(F)(F)F ZINC001295860513 1063891348 /nfs/dbraw/zinc/89/13/48/1063891348.db2.gz CFIXHDKNQCHKCY-OAQYLSRUSA-N 1 1 481.523 2.569 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295861970 1063894557 /nfs/dbraw/zinc/89/45/57/1063894557.db2.gz JCCVBAXVKSBYDZ-INIZCTEOSA-N 1 1 477.535 2.936 20 0 JFADMO CC[N@@H+](CCn1c(CC2CC2)nnc1N1CCC2(CCN(C)C2=O)CC1)CCC(F)(F)F ZINC001295863203 1063895601 /nfs/dbraw/zinc/89/56/01/1063895601.db2.gz WNGGQSKHWMIANN-UHFFFAOYSA-N 1 1 456.557 2.954 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C ZINC001295865076 1063896200 /nfs/dbraw/zinc/89/62/00/1063896200.db2.gz AMFXBFOZOFYWIR-JOCHJYFZSA-N 1 1 488.608 2.554 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1)C1CC1 ZINC001295865183 1063896646 /nfs/dbraw/zinc/89/66/46/1063896646.db2.gz DMEFVQPPTLEPKF-QGZVFWFLSA-N 1 1 461.010 2.957 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371023 1063896779 /nfs/dbraw/zinc/89/67/79/1063896779.db2.gz HJAIXCJIODVHPW-DHLKQENFSA-N 1 1 473.618 2.890 20 0 JFADMO CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371025 1063896896 /nfs/dbraw/zinc/89/68/96/1063896896.db2.gz HJAIXCJIODVHPW-RDGATRHJSA-N 1 1 473.618 2.890 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)C(C)C ZINC001295865348 1063897276 /nfs/dbraw/zinc/89/72/76/1063897276.db2.gz JAMPQKMGIQHLHG-DEOSSOPVSA-N 1 1 472.590 2.627 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1)C(C)C ZINC001295865542 1063897798 /nfs/dbraw/zinc/89/77/98/1063897798.db2.gz MIEWXNQWKFSDHA-SFTDATJTSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)C(C)C ZINC001295865540 1063897867 /nfs/dbraw/zinc/89/78/67/1063897867.db2.gz MIEWXNQWKFSDHA-NHCUHLMSSA-N 1 1 454.619 2.919 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(C)C ZINC001295865649 1063898626 /nfs/dbraw/zinc/89/86/26/1063898626.db2.gz FYEXEBZYGMASPP-UHFFFAOYSA-N 1 1 497.692 2.679 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295866117 1063899684 /nfs/dbraw/zinc/89/96/84/1063899684.db2.gz UROLUYBSZZBWDD-QHCPKHFHSA-N 1 1 479.622 2.742 20 0 JFADMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccs2)CC1)C(C)C ZINC001295866405 1063900878 /nfs/dbraw/zinc/90/08/78/1063900878.db2.gz LKFXQTKTQQCJNY-UHFFFAOYSA-N 1 1 459.664 2.515 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291373959 1063902614 /nfs/dbraw/zinc/90/26/14/1063902614.db2.gz ANLHXTVCYCZDDU-BLFHIAQRSA-N 1 1 486.636 2.548 20 0 JFADMO CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001291374203 1063902743 /nfs/dbraw/zinc/90/27/43/1063902743.db2.gz FOIDFKSCUIEBQX-RUZDIDTESA-N 1 1 450.587 2.626 20 0 JFADMO CC[N@@H+](CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868026 1063903732 /nfs/dbraw/zinc/90/37/32/1063903732.db2.gz CYKPYPBVMZFSHB-PXDATVDWSA-N 1 1 479.666 2.823 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291375128 1063904584 /nfs/dbraw/zinc/90/45/84/1063904584.db2.gz VJRFOWWZYWAJHX-VWLOTQADSA-N 1 1 469.609 2.842 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001295868657 1063905214 /nfs/dbraw/zinc/90/52/14/1063905214.db2.gz TVKFSPGHWFLKML-MOPGFXCFSA-N 1 1 472.590 2.531 20 0 JFADMO CCN(CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295869510 1063907060 /nfs/dbraw/zinc/90/70/60/1063907060.db2.gz PIZAMKQLUPUROJ-VQTJNVASSA-N 1 1 478.638 2.545 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)C1CC1 ZINC001295870271 1063907873 /nfs/dbraw/zinc/90/78/73/1063907873.db2.gz XGWOVLYYIIUZNF-CEMLEFRQSA-N 1 1 460.667 2.986 20 0 JFADMO CC[C@](C)(O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001291377140 1063908516 /nfs/dbraw/zinc/90/85/16/1063908516.db2.gz IERKZGYMRMKHMU-VWLOTQADSA-N 1 1 454.619 2.989 20 0 JFADMO CC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291378891 1063913013 /nfs/dbraw/zinc/91/30/13/1063913013.db2.gz OPRNELLTFTURPD-PXDATVDWSA-N 1 1 457.619 2.793 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001295877574 1063918459 /nfs/dbraw/zinc/91/84/59/1063918459.db2.gz IUJLEIMHQUUPTR-QGZVFWFLSA-N 1 1 458.588 2.599 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001295877947 1063919403 /nfs/dbraw/zinc/91/94/03/1063919403.db2.gz OYFBSRVBZOXSRQ-INIZCTEOSA-N 1 1 482.050 2.962 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880417 1063924725 /nfs/dbraw/zinc/92/47/25/1063924725.db2.gz BOLHYNIOYXSXCU-UXHICEINSA-N 1 1 455.669 2.759 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001295885467 1063932224 /nfs/dbraw/zinc/93/22/24/1063932224.db2.gz HSFSKLBZJMYQBX-HXUWFJFHSA-N 1 1 482.654 2.582 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001295885467 1063932232 /nfs/dbraw/zinc/93/22/32/1063932232.db2.gz HSFSKLBZJMYQBX-HXUWFJFHSA-N 1 1 482.654 2.582 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001295886413 1063933606 /nfs/dbraw/zinc/93/36/06/1063933606.db2.gz OSAOFFCSHHJMOO-FQEVSTJZSA-N 1 1 465.639 2.999 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291386891 1063933859 /nfs/dbraw/zinc/93/38/59/1063933859.db2.gz DJHIBLSOCGFEGD-KBMIEXCESA-N 1 1 472.634 2.778 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291386891 1063933877 /nfs/dbraw/zinc/93/38/77/1063933877.db2.gz DJHIBLSOCGFEGD-KBMIEXCESA-N 1 1 472.634 2.778 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001295886988 1063934548 /nfs/dbraw/zinc/93/45/48/1063934548.db2.gz SZMZUIFQHQGNFM-GOSISDBHSA-N 1 1 477.034 2.852 20 0 JFADMO CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CC[N@@H+](CC)C(C)C)CCN2C1=O ZINC001295891066 1063942378 /nfs/dbraw/zinc/94/23/78/1063942378.db2.gz VNODZBMXHXAVJM-LJQANCHMSA-N 1 1 474.009 2.802 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291399324 1063958455 /nfs/dbraw/zinc/95/84/55/1063958455.db2.gz JPOOMOFLBPZRIP-CPJSRVTESA-N 1 1 466.634 2.507 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291402289 1063965075 /nfs/dbraw/zinc/96/50/75/1063965075.db2.gz VXAROFRHPLKBDY-GSHUGGBRSA-N 1 1 450.653 2.588 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291403660 1063969974 /nfs/dbraw/zinc/96/99/74/1063969974.db2.gz NVQYGOGCJBQICW-WCAVRKLYSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291403660 1063969986 /nfs/dbraw/zinc/96/99/86/1063969986.db2.gz NVQYGOGCJBQICW-WCAVRKLYSA-N 1 1 464.010 2.828 20 0 JFADMO CCn1cc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)cn1 ZINC001295924264 1063978204 /nfs/dbraw/zinc/97/82/04/1063978204.db2.gz HDTORQZMLRLQKZ-KRWDZBQOSA-N 1 1 475.544 2.968 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001291411745 1063987238 /nfs/dbraw/zinc/98/72/38/1063987238.db2.gz OISVCRNWPRMFAC-VWNVYAMZSA-N 1 1 467.622 2.901 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)OC ZINC001291411752 1063987707 /nfs/dbraw/zinc/98/77/07/1063987707.db2.gz ONPMAPLPMVBXOX-UEXGIBASSA-N 1 1 453.595 2.512 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC001291411751 1063987847 /nfs/dbraw/zinc/98/78/47/1063987847.db2.gz ONPMAPLPMVBXOX-BBTUJRGHSA-N 1 1 453.595 2.512 20 0 JFADMO CC[C@@H](C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)OC ZINC001291413897 1063990403 /nfs/dbraw/zinc/99/04/03/1063990403.db2.gz QYBFNVLZSYHKJL-DENIHFKCSA-N 1 1 452.607 2.847 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291414593 1063991212 /nfs/dbraw/zinc/99/12/12/1063991212.db2.gz ZTUCGUFRAPHLLS-JVODISISSA-N 1 1 485.677 2.724 20 0 JFADMO CCn1cccc(Cn2c(-c3ccccc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1=O ZINC001295944397 1063997726 /nfs/dbraw/zinc/99/77/26/1063997726.db2.gz ZJTHFPAIALBDPD-UHFFFAOYSA-N 1 1 450.587 2.722 20 0 JFADMO CCn1cccc(Cn2c(-c3ccccc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1=O ZINC001295944397 1063997731 /nfs/dbraw/zinc/99/77/31/1063997731.db2.gz ZJTHFPAIALBDPD-UHFFFAOYSA-N 1 1 450.587 2.722 20 0 JFADMO CCn1cccc(Cn2c(Cc3ccccc3OC)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC001295949856 1063999711 /nfs/dbraw/zinc/99/97/11/1063999711.db2.gz QEPZQVFGMSECCE-OYRHEFFESA-N 1 1 494.640 2.653 20 0 JFADMO CCn1cccc(Cn2c(Cc3ccccc3OC)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC001295949856 1063999717 /nfs/dbraw/zinc/99/97/17/1063999717.db2.gz QEPZQVFGMSECCE-OYRHEFFESA-N 1 1 494.640 2.653 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001295975150 1064018786 /nfs/dbraw/zinc/01/87/86/1064018786.db2.gz AMSYQGAKMGTKAR-ZWKOTPCHSA-N 1 1 490.052 2.695 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295975500 1064019708 /nfs/dbraw/zinc/01/97/08/1064019708.db2.gz DMXUNIVWVRJUBC-NPPFBWRTSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001295975500 1064019716 /nfs/dbraw/zinc/01/97/16/1064019716.db2.gz DMXUNIVWVRJUBC-NPPFBWRTSA-N 1 1 491.658 2.849 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001295975827 1064020271 /nfs/dbraw/zinc/02/02/71/1064020271.db2.gz FJSJUQILEXAQFO-CABCVRRESA-N 1 1 453.513 2.797 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001295975870 1064020788 /nfs/dbraw/zinc/02/07/88/1064020788.db2.gz FSFZAPKZMXKWBY-YTZAWJCFSA-N 1 1 493.052 2.568 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001295976069 1064021065 /nfs/dbraw/zinc/02/10/65/1064021065.db2.gz CFEHPRSQROAWOK-UFYCRDLUSA-N 1 1 488.608 2.725 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001295976223 1064021583 /nfs/dbraw/zinc/02/15/83/1064021583.db2.gz GRPTZJQMUHAZQP-IRXDYDNUSA-N 1 1 495.550 2.745 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295976611 1064022476 /nfs/dbraw/zinc/02/24/76/1064022476.db2.gz HPGSDZJQTCQCLQ-UXHICEINSA-N 1 1 493.612 2.918 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295977305 1064023002 /nfs/dbraw/zinc/02/30/02/1064023002.db2.gz KDKZQANHOCOHOM-DLBZAZTESA-N 1 1 480.548 2.622 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@H]1C ZINC001295977593 1064024195 /nfs/dbraw/zinc/02/41/95/1064024195.db2.gz OTTYQWRDNIKROX-WOJBJXKFSA-N 1 1 497.669 2.866 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C ZINC001295977945 1064024917 /nfs/dbraw/zinc/02/49/17/1064024917.db2.gz MCNSIEKQXGGFFZ-HZPDHXFCSA-N 1 1 477.009 2.808 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@@H]1C ZINC001295978023 1064025577 /nfs/dbraw/zinc/02/55/77/1064025577.db2.gz JMCMGLMSAQACCB-IRFCIJBXSA-N 1 1 492.690 2.893 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@@H]1C ZINC001295978741 1064026146 /nfs/dbraw/zinc/02/61/46/1064026146.db2.gz LAFSFCZCLRCMLX-DLBZAZTESA-N 1 1 477.679 2.627 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001295978760 1064026419 /nfs/dbraw/zinc/02/64/19/1064026419.db2.gz LAPPRNJWDGJCRV-BERHBOFZSA-N 1 1 498.672 2.976 20 0 JFADMO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980398 1064030020 /nfs/dbraw/zinc/03/00/20/1064030020.db2.gz YTDWOUFQPHQFOR-OALUTQOASA-N 1 1 478.663 2.544 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCNC(=O)OC(C)(C)C ZINC001291470166 1064030606 /nfs/dbraw/zinc/03/06/06/1064030606.db2.gz MGZVJRHJVDYWSV-GBESFXJTSA-N 1 1 450.628 2.863 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001291470212 1064030703 /nfs/dbraw/zinc/03/07/03/1064030703.db2.gz NAAOWSPNMZTOPK-QEUVDIPISA-N 1 1 491.681 2.694 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980684 1064031129 /nfs/dbraw/zinc/03/11/29/1064031129.db2.gz RAEWKSUZZYNQTC-RTBURBONSA-N 1 1 477.654 2.690 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470381 1064031364 /nfs/dbraw/zinc/03/13/64/1064031364.db2.gz PGBPJOQPYUPHOM-TUNNFDKTSA-N 1 1 460.667 2.987 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470773 1064031950 /nfs/dbraw/zinc/03/19/50/1064031950.db2.gz VDTDPMWOSWCFPN-YDHSSHFGSA-N 1 1 499.635 2.948 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC(F)(F)F ZINC001291470923 1064032466 /nfs/dbraw/zinc/03/24/66/1064032466.db2.gz XEHYRHKSUQGGKA-BQFCYCMXSA-N 1 1 460.545 2.707 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981817 1064033259 /nfs/dbraw/zinc/03/32/59/1064033259.db2.gz SAWTXMSGNFUEBT-SLFFLAALSA-N 1 1 478.663 2.503 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001295982896 1064037213 /nfs/dbraw/zinc/03/72/13/1064037213.db2.gz GLVYZXLPMHECTJ-ZWKOTPCHSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001295982896 1064037221 /nfs/dbraw/zinc/03/72/21/1064037221.db2.gz GLVYZXLPMHECTJ-ZWKOTPCHSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983908 1064040239 /nfs/dbraw/zinc/04/02/39/1064040239.db2.gz XQJKZKGGHNPXLG-HZPDHXFCSA-N 1 1 476.427 2.647 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001295984049 1064040787 /nfs/dbraw/zinc/04/07/87/1064040787.db2.gz KIVRTGVDJFGENU-BFYDXBDKSA-N 1 1 491.434 2.914 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001295987341 1064043538 /nfs/dbraw/zinc/04/35/38/1064043538.db2.gz ZWIONJSETILBRB-HBFSDRIKSA-N 1 1 459.591 2.687 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989546 1064044482 /nfs/dbraw/zinc/04/44/82/1064044482.db2.gz BNQMJPDCIGJTSF-OALUTQOASA-N 1 1 463.586 2.698 20 0 JFADMO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001295990985 1064045909 /nfs/dbraw/zinc/04/59/09/1064045909.db2.gz ONYNPHDASSBFLQ-ZEQRLZLVSA-N 1 1 456.631 2.988 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@H]1C ZINC001295993040 1064047849 /nfs/dbraw/zinc/04/78/49/1064047849.db2.gz BUEINEOCDPOXNW-WCIQWLHISA-N 1 1 478.638 2.542 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001295993422 1064048751 /nfs/dbraw/zinc/04/87/51/1064048751.db2.gz SBEYGPXWTRTNJP-LVCYWYKZSA-N 1 1 465.577 2.742 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994747 1064050631 /nfs/dbraw/zinc/05/06/31/1064050631.db2.gz JKARCAZWKWBMAT-RYRKJORJSA-N 1 1 493.454 2.588 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1Cc1conc1COC ZINC001291498213 1064050766 /nfs/dbraw/zinc/05/07/66/1064050766.db2.gz KMCWQJOKTJBJLQ-IBGZPJMESA-N 1 1 487.649 2.745 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291501736 1064052006 /nfs/dbraw/zinc/05/20/06/1064052006.db2.gz VCLLCWHIEZSONY-UNMCSNQZSA-N 1 1 470.666 2.847 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996819 1064053244 /nfs/dbraw/zinc/05/32/44/1064053244.db2.gz NSOGWSCBTBSAHP-ROUUACIJSA-N 1 1 481.601 2.923 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998205 1064055279 /nfs/dbraw/zinc/05/52/79/1064055279.db2.gz TYVOJAYHSXMIKY-PMACEKPBSA-N 1 1 465.602 2.865 20 0 JFADMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001295998192 1064055305 /nfs/dbraw/zinc/05/53/05/1064055305.db2.gz TWNRPPWKZDINJT-WOJBJXKFSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001295998192 1064055312 /nfs/dbraw/zinc/05/53/12/1064055312.db2.gz TWNRPPWKZDINJT-WOJBJXKFSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001295998190 1064055350 /nfs/dbraw/zinc/05/53/50/1064055350.db2.gz TWNRPPWKZDINJT-UXHICEINSA-N 1 1 485.658 2.603 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCS(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC001295998190 1064055358 /nfs/dbraw/zinc/05/53/58/1064055358.db2.gz TWNRPPWKZDINJT-UXHICEINSA-N 1 1 485.658 2.603 20 0 JFADMO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000356 1064057055 /nfs/dbraw/zinc/05/70/55/1064057055.db2.gz CJKQGEBRDYVRMH-OALUTQOASA-N 1 1 480.654 2.599 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001296001468 1064057484 /nfs/dbraw/zinc/05/74/84/1064057484.db2.gz IAFUIZRYGXCVGQ-FGZHOGPDSA-N 1 1 467.662 2.744 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001199 1064057512 /nfs/dbraw/zinc/05/75/12/1064057512.db2.gz GIDYNTAKJWDSMI-VQTJNVASSA-N 1 1 453.635 2.831 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003266 1064058542 /nfs/dbraw/zinc/05/85/42/1064058542.db2.gz SKSVJNXYVORHSC-BHIFYINESA-N 1 1 468.646 2.591 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003268 1064058573 /nfs/dbraw/zinc/05/85/73/1064058573.db2.gz SKSVJNXYVORHSC-FKBYEOEOSA-N 1 1 468.646 2.591 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003269 1064058609 /nfs/dbraw/zinc/05/86/09/1064058609.db2.gz SKSVJNXYVORHSC-FSSWDIPSSA-N 1 1 468.646 2.591 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001291508766 1064060232 /nfs/dbraw/zinc/06/02/32/1064060232.db2.gz QXBIIORMCBRWKN-HXUWFJFHSA-N 1 1 459.683 2.656 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061783 /nfs/dbraw/zinc/06/17/83/1064061783.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061789 /nfs/dbraw/zinc/06/17/89/1064061789.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008787 1064061965 /nfs/dbraw/zinc/06/19/65/1064061965.db2.gz BJQUSAMNUZENOB-PCCBWWKXSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001296008787 1064061972 /nfs/dbraw/zinc/06/19/72/1064061972.db2.gz BJQUSAMNUZENOB-PCCBWWKXSA-N 1 1 454.623 2.955 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009326 1064063928 /nfs/dbraw/zinc/06/39/28/1064063928.db2.gz JUGIKQZGTRTXSE-SLFFLAALSA-N 1 1 470.618 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001296009564 1064065381 /nfs/dbraw/zinc/06/53/81/1064065381.db2.gz LNYLBQVIKDUMRK-JTAQYXEDSA-N 1 1 457.619 2.796 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001296009808 1064066938 /nfs/dbraw/zinc/06/69/38/1064066938.db2.gz IHENTXCBQOWWQC-CABCVRRESA-N 1 1 474.660 2.591 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291514400 1064067233 /nfs/dbraw/zinc/06/72/33/1064067233.db2.gz RUKCRCROVUNECF-SFHVURJKSA-N 1 1 454.685 2.964 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009926 1064067570 /nfs/dbraw/zinc/06/75/70/1064067570.db2.gz NVBDUFSHGDYFGY-IPJJNNNSSA-N 1 1 475.707 2.910 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001291514488 1064067594 /nfs/dbraw/zinc/06/75/94/1064067594.db2.gz UKGKDHFUHYRHHX-LJQANCHMSA-N 1 1 474.675 2.758 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010375 1064068637 /nfs/dbraw/zinc/06/86/37/1064068637.db2.gz PUHVGICAJYMMSB-OALUTQOASA-N 1 1 454.619 2.517 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011249 1064070572 /nfs/dbraw/zinc/07/05/72/1064070572.db2.gz UNQAELYSLMEFDD-ZIFCJYIRSA-N 1 1 458.573 2.803 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@@H]1C ZINC001296011434 1064071106 /nfs/dbraw/zinc/07/11/06/1064071106.db2.gz OYDDXNGXFQBKCK-ROUUACIJSA-N 1 1 453.616 2.826 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCOC2)C[C@@H]1C ZINC001296011683 1064071612 /nfs/dbraw/zinc/07/16/12/1064071612.db2.gz QEZKSDQBFJJOFF-FKBYEOEOSA-N 1 1 459.639 2.502 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291522060 1064073935 /nfs/dbraw/zinc/07/39/35/1064073935.db2.gz YBUONBCNZWGPFE-NHCUHLMSSA-N 1 1 459.683 2.514 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013596 1064074511 /nfs/dbraw/zinc/07/45/11/1064074511.db2.gz WNFFRVOAFFQEFQ-RTWAWAEBSA-N 1 1 482.633 2.527 20 0 JFADMO CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524097 1064074561 /nfs/dbraw/zinc/07/45/61/1064074561.db2.gz GBYKPACWKSLYOR-SIKLNZKXSA-N 1 1 482.677 2.758 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296015259 1064077152 /nfs/dbraw/zinc/07/71/52/1064077152.db2.gz RKFIVACYSARHNS-ZCNNSNEGSA-N 1 1 492.665 2.811 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001291538046 1064078961 /nfs/dbraw/zinc/07/89/61/1064078961.db2.gz LDWGTCASBWRJFI-RCZVLFRGSA-N 1 1 481.689 2.962 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079324 /nfs/dbraw/zinc/07/93/24/1064079324.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 1 1 486.661 2.895 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031094 1064089062 /nfs/dbraw/zinc/08/90/62/1064089062.db2.gz PUEMMBIBGSCABA-RBBKRZOGSA-N 1 1 453.635 2.863 20 0 JFADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296033121 1064091342 /nfs/dbraw/zinc/09/13/42/1064091342.db2.gz JYNHMBVDIFVUHT-MOPGFXCFSA-N 1 1 458.582 2.958 20 0 JFADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001291560272 1064092169 /nfs/dbraw/zinc/09/21/69/1064092169.db2.gz QVNORTLBRZZSIJ-YADHBBJMSA-N 1 1 461.699 2.760 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C[C@H]1C ZINC001296033723 1064092289 /nfs/dbraw/zinc/09/22/89/1064092289.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 1 1 474.053 2.734 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C[C@H]1C ZINC001296033723 1064092301 /nfs/dbraw/zinc/09/23/01/1064092301.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 1 1 474.053 2.734 20 0 JFADMO CC[C@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291561103 1064092321 /nfs/dbraw/zinc/09/23/21/1064092321.db2.gz QRGGKPPYNDZEJR-NRFANRHFSA-N 1 1 459.683 2.658 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296034145 1064092810 /nfs/dbraw/zinc/09/28/10/1064092810.db2.gz RFECPHTXBFICOV-CEXWTWQISA-N 1 1 498.632 2.617 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034431 1064093019 /nfs/dbraw/zinc/09/30/19/1064093019.db2.gz VCPZPTKLYHIGRO-LEWJYISDSA-N 1 1 469.634 2.838 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001296035157 1064094268 /nfs/dbraw/zinc/09/42/68/1064094268.db2.gz APYNDJRVECMGTP-LJQANCHMSA-N 1 1 474.675 2.666 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296036086 1064095456 /nfs/dbraw/zinc/09/54/56/1064095456.db2.gz HASUNPBRNKHMGF-JKSUJKDBSA-N 1 1 455.028 2.595 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296036389 1064095786 /nfs/dbraw/zinc/09/57/86/1064095786.db2.gz JDODVVCTGBGAGT-IBGZPJMESA-N 1 1 486.617 2.971 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037914 1064097858 /nfs/dbraw/zinc/09/78/58/1064097858.db2.gz MUZVXEHWWKAIDW-GOSISDBHSA-N 1 1 491.658 2.708 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)N1CCCCC1 ZINC001291572166 1064098266 /nfs/dbraw/zinc/09/82/66/1064098266.db2.gz ZCBSUVUDWMHKKZ-HXUWFJFHSA-N 1 1 456.639 2.640 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001296037966 1064098241 /nfs/dbraw/zinc/09/82/41/1064098241.db2.gz NJVAGXVIHYRKMY-SJLPKXTDSA-N 1 1 462.545 2.945 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001296038011 1064098630 /nfs/dbraw/zinc/09/86/30/1064098630.db2.gz NWCRVGNYQLDQGC-KSZLIROESA-N 1 1 459.591 2.926 20 0 JFADMO CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296039269 1064099029 /nfs/dbraw/zinc/09/90/29/1064099029.db2.gz SALJFYGBLBJGQP-SJORKVTESA-N 1 1 452.024 2.954 20 0 JFADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC001291575711 1064099290 /nfs/dbraw/zinc/09/92/90/1064099290.db2.gz ABTUQHKMGFBZFR-IBGZPJMESA-N 1 1 458.525 2.939 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001296039742 1064099786 /nfs/dbraw/zinc/09/97/86/1064099786.db2.gz SUEVIDSRUWPKNZ-ICSRJNTNSA-N 1 1 491.658 2.706 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296040386 1064100274 /nfs/dbraw/zinc/10/02/74/1064100274.db2.gz UVBGNNWUWMFPQG-INIZCTEOSA-N 1 1 476.423 2.511 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296040949 1064100823 /nfs/dbraw/zinc/10/08/23/1064100823.db2.gz ZUNQHROCXXRFAY-BTYIYWSLSA-N 1 1 461.408 2.751 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001296041376 1064101918 /nfs/dbraw/zinc/10/19/18/1064101918.db2.gz CBJMJHQWCNUVOJ-SJORKVTESA-N 1 1 478.544 2.817 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001296042832 1064102345 /nfs/dbraw/zinc/10/23/45/1064102345.db2.gz OWMCLYKMCASDQO-MRXNPFEDSA-N 1 1 457.520 2.648 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043460 1064102645 /nfs/dbraw/zinc/10/26/45/1064102645.db2.gz VJYFLVIFADTEAB-FUHWJXTLSA-N 1 1 461.408 2.970 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043461 1064102656 /nfs/dbraw/zinc/10/26/56/1064102656.db2.gz VJYFLVIFADTEAB-SJLPKXTDSA-N 1 1 461.408 2.970 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(CCNC(C)=O)Cc2ccsc2)C1 ZINC001296043717 1064102737 /nfs/dbraw/zinc/10/27/37/1064102737.db2.gz XLVKHXKQZQVTAL-IBGZPJMESA-N 1 1 455.632 2.830 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001296043796 1064103260 /nfs/dbraw/zinc/10/32/60/1064103260.db2.gz ADLXQRZDJPOONY-WMZOPIPTSA-N 1 1 452.024 2.812 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043878 1064103291 /nfs/dbraw/zinc/10/32/91/1064103291.db2.gz AXYZRVYUQMMBDV-XUVXKRRUSA-N 1 1 462.639 2.960 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001291578582 1064104143 /nfs/dbraw/zinc/10/41/43/1064104143.db2.gz FHJROYUTDQCGJS-YQVWRLOYSA-N 1 1 475.663 2.747 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001296044268 1064104149 /nfs/dbraw/zinc/10/41/49/1064104149.db2.gz BQLRJUGHMCDYLU-TZIWHRDSSA-N 1 1 485.633 2.960 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001296044952 1064105200 /nfs/dbraw/zinc/10/52/00/1064105200.db2.gz HCSMKPSNLWBIQZ-SFHVURJKSA-N 1 1 466.051 2.878 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC001296047639 1064106983 /nfs/dbraw/zinc/10/69/83/1064106983.db2.gz UCLWBKJTKQSDMK-OAQYLSRUSA-N 1 1 473.710 2.779 20 0 JFADMO CCN(C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CC[N@@H+](CC)C2)CC1)S(C)(=O)=O ZINC001296049021 1064109245 /nfs/dbraw/zinc/10/92/45/1064109245.db2.gz GBJXJXBIOPBBNR-FQEVSTJZSA-N 1 1 466.696 2.603 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291580757 1064109426 /nfs/dbraw/zinc/10/94/26/1064109426.db2.gz BGLHKNREQOQTNP-LNRXMEIDSA-N 1 1 460.667 2.987 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296050291 1064109484 /nfs/dbraw/zinc/10/94/84/1064109484.db2.gz PQOSRVRVLHUYBL-RBBKRZOGSA-N 1 1 475.659 2.645 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001296050405 1064110039 /nfs/dbraw/zinc/11/00/39/1064110039.db2.gz RALNDRQPBWQEBI-QFIPXVFZSA-N 1 1 488.702 2.655 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296050305 1064110084 /nfs/dbraw/zinc/11/00/84/1064110084.db2.gz PVTAKDZNODBFHB-GOSISDBHSA-N 1 1 463.623 2.753 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(C(=O)OC)CC2)C1 ZINC001296051182 1064111358 /nfs/dbraw/zinc/11/13/58/1064111358.db2.gz CWXHGYWNRJQJRE-SFHVURJKSA-N 1 1 457.575 2.597 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296051417 1064111825 /nfs/dbraw/zinc/11/18/25/1064111825.db2.gz FHTXNJZWUJSSRP-PMACEKPBSA-N 1 1 472.638 2.585 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001296051637 1064111850 /nfs/dbraw/zinc/11/18/50/1064111850.db2.gz HNKJOLVXBNISID-HNNXBMFYSA-N 1 1 477.038 2.635 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296051834 1064112463 /nfs/dbraw/zinc/11/24/63/1064112463.db2.gz KKJSWRTXDFJYPM-NQIIRXRSSA-N 1 1 479.622 2.742 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1nc(C)c(C)s1 ZINC001291582172 1064113157 /nfs/dbraw/zinc/11/31/57/1064113157.db2.gz UJSORJMHNGSZCD-VQIMIIECSA-N 1 1 459.664 2.850 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1 ZINC001296052324 1064113490 /nfs/dbraw/zinc/11/34/90/1064113490.db2.gz QIMIHLMJJBGIMH-FGZHOGPDSA-N 1 1 484.693 2.859 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291582213 1064113605 /nfs/dbraw/zinc/11/36/05/1064113605.db2.gz ZMGNLDVDFJSFIW-OFNKIYASSA-N 1 1 468.646 2.711 20 0 JFADMO CCN(c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296052342 1064113953 /nfs/dbraw/zinc/11/39/53/1064113953.db2.gz QMBCIXJXCQTWBL-SFTDATJTSA-N 1 1 475.659 2.829 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296053432 1064114842 /nfs/dbraw/zinc/11/48/42/1064114842.db2.gz ZLQCPZCRRGNOJO-LJQANCHMSA-N 1 1 458.582 2.785 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1OC ZINC001296056091 1064117238 /nfs/dbraw/zinc/11/72/38/1064117238.db2.gz JOFNMHJUJCZEOX-IBGZPJMESA-N 1 1 456.591 2.522 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291584058 1064118039 /nfs/dbraw/zinc/11/80/39/1064118039.db2.gz ZHWCPTTXQNDYFV-GGAORHGYSA-N 1 1 468.646 2.530 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291584060 1064118497 /nfs/dbraw/zinc/11/84/97/1064118497.db2.gz ZHWCPTTXQNDYFV-JTHBVZDNSA-N 1 1 468.646 2.530 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001296057472 1064119514 /nfs/dbraw/zinc/11/95/14/1064119514.db2.gz YXZFAVDQDXPPKC-LXGFNABISA-N 1 1 475.556 2.817 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001296058758 1064121013 /nfs/dbraw/zinc/12/10/13/1064121013.db2.gz DJOUZTQMJVYDAQ-GBESFXJTSA-N 1 1 466.627 2.590 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291589328 1064121053 /nfs/dbraw/zinc/12/10/53/1064121053.db2.gz GMOUDAOCPJEIOI-VQTJNVASSA-N 1 1 463.671 2.779 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291589456 1064121610 /nfs/dbraw/zinc/12/16/10/1064121610.db2.gz KAUIYLYEPPIGEU-PMACEKPBSA-N 1 1 470.618 2.949 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001291590367 1064123231 /nfs/dbraw/zinc/12/32/31/1064123231.db2.gz VKPRMZLTOSLWNZ-IRLDBZIGSA-N 1 1 470.618 2.971 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001296059922 1064123522 /nfs/dbraw/zinc/12/35/22/1064123522.db2.gz KYEAFVHQJOLJHC-ICSRJNTNSA-N 1 1 461.632 2.694 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C/C(C)=C\c1ccccc1 ZINC001296060262 1064124240 /nfs/dbraw/zinc/12/42/40/1064124240.db2.gz LLWRHUQMWFCCAG-QAYBODEISA-N 1 1 460.648 2.912 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001296060212 1064124287 /nfs/dbraw/zinc/12/42/87/1064124287.db2.gz OTHUBNQWDUWWCI-OAQYLSRUSA-N 1 1 474.053 2.729 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001296060219 1064124834 /nfs/dbraw/zinc/12/48/34/1064124834.db2.gz OVEGHDSKRIBDFA-HNNXBMFYSA-N 1 1 465.940 2.971 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291590774 1064125137 /nfs/dbraw/zinc/12/51/37/1064125137.db2.gz UKBPRRWTMUSNAQ-RTWAWAEBSA-N 1 1 461.655 2.630 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001296060381 1064125301 /nfs/dbraw/zinc/12/53/01/1064125301.db2.gz MPYQDLJFUOZJQC-KZNAEPCWSA-N 1 1 497.065 2.684 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001296060382 1064125310 /nfs/dbraw/zinc/12/53/10/1064125310.db2.gz MPYQDLJFUOZJQC-RCCFBDPRSA-N 1 1 497.065 2.684 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001296060552 1064125814 /nfs/dbraw/zinc/12/58/14/1064125814.db2.gz QXOICQCFVFDMRM-ZIFCJYIRSA-N 1 1 479.647 2.704 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCn1cc[nH+]c1C ZINC001291591250 1064126525 /nfs/dbraw/zinc/12/65/25/1064126525.db2.gz DKFMVTIIUIHFOY-DENIHFKCSA-N 1 1 464.618 2.735 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296061723 1064127109 /nfs/dbraw/zinc/12/71/09/1064127109.db2.gz XJVXWYOTHUUERM-LJQANCHMSA-N 1 1 491.658 2.850 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296061721 1064127182 /nfs/dbraw/zinc/12/71/82/1064127182.db2.gz XJVXWYOTHUUERM-IBGZPJMESA-N 1 1 491.658 2.850 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296061773 1064127668 /nfs/dbraw/zinc/12/76/68/1064127668.db2.gz XQNMRASVCAEZIL-WMZOPIPTSA-N 1 1 461.408 2.894 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291593148 1064128328 /nfs/dbraw/zinc/12/83/28/1064128328.db2.gz ATQZPZKLEQUDOE-WOJBJXKFSA-N 1 1 459.683 2.845 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291593217 1064128342 /nfs/dbraw/zinc/12/83/42/1064128342.db2.gz BCTSWKMGHWAPQQ-LNRXMEIDSA-N 1 1 473.710 2.949 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001296062767 1064128720 /nfs/dbraw/zinc/12/87/20/1064128720.db2.gz PHARRSRSUSHLKG-MJGOQNOKSA-N 1 1 458.611 2.609 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001296062769 1064128754 /nfs/dbraw/zinc/12/87/54/1064128754.db2.gz PHARRSRSUSHLKG-PKOBYXMFSA-N 1 1 458.611 2.609 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296063803 1064130504 /nfs/dbraw/zinc/13/05/04/1064130504.db2.gz ZJNAGVYCTDLTHP-IEBWSBKVSA-N 1 1 456.591 2.504 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296063875 1064130517 /nfs/dbraw/zinc/13/05/17/1064130517.db2.gz YBXQMFZEGYDGAO-QZTJIDSGSA-N 1 1 462.561 2.561 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001291594598 1064130790 /nfs/dbraw/zinc/13/07/90/1064130790.db2.gz IPSXJRRVDSQKDC-GBESFXJTSA-N 1 1 459.605 2.890 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296066227 1064131117 /nfs/dbraw/zinc/13/11/17/1064131117.db2.gz BNCJCBJPNKNSLR-OALUTQOASA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296067626 1064132858 /nfs/dbraw/zinc/13/28/58/1064132858.db2.gz KGGAAYYMVMCUGG-PMACEKPBSA-N 1 1 489.665 2.579 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001296070615 1064135670 /nfs/dbraw/zinc/13/56/70/1064135670.db2.gz BWEYNNMMHWDIIK-LJQANCHMSA-N 1 1 479.551 2.643 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001296072386 1064136607 /nfs/dbraw/zinc/13/66/07/1064136607.db2.gz NAENECNEGYUFEE-TZIWHRDSSA-N 1 1 492.665 2.600 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001296073537 1064138946 /nfs/dbraw/zinc/13/89/46/1064138946.db2.gz RRLHQRJLWJUPMW-FQEVSTJZSA-N 1 1 459.664 2.859 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001296074177 1064140436 /nfs/dbraw/zinc/14/04/36/1064140436.db2.gz UXJYNNXHRMVJBU-GOSISDBHSA-N 1 1 460.573 2.936 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296074932 1064142046 /nfs/dbraw/zinc/14/20/46/1064142046.db2.gz QQLMQAIGTFCHQX-UGKGYDQZSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001296076666 1064145513 /nfs/dbraw/zinc/14/55/13/1064145513.db2.gz YWAZVDSNZHLRRB-WKULXVSPSA-N 1 1 461.529 2.642 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001296079132 1064146134 /nfs/dbraw/zinc/14/61/34/1064146134.db2.gz CFPHGZRFWDWAJT-RCZSKKKRSA-N 1 1 492.665 2.971 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296081479 1064149875 /nfs/dbraw/zinc/14/98/75/1064149875.db2.gz UYGALWIGKHDJPL-HOCLYGCPSA-N 1 1 464.412 2.612 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296083144 1064150941 /nfs/dbraw/zinc/15/09/41/1064150941.db2.gz DGODWOCHWISVCX-LJQANCHMSA-N 1 1 470.528 2.963 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291613500 1064150920 /nfs/dbraw/zinc/15/09/20/1064150920.db2.gz FXAOHKRWPHQXLK-UGKGYDQZSA-N 1 1 470.666 2.762 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614262 1064151754 /nfs/dbraw/zinc/15/17/54/1064151754.db2.gz JOYIURRBCURQAG-NRSPTQNISA-N 1 1 486.665 2.725 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296084705 1064152264 /nfs/dbraw/zinc/15/22/64/1064152264.db2.gz NYDLYVLBOQTYFU-SFTDATJTSA-N 1 1 474.675 2.894 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291616036 1064153190 /nfs/dbraw/zinc/15/31/90/1064153190.db2.gz WGZGZFKHACOWSJ-LJQANCHMSA-N 1 1 469.682 2.551 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291616036 1064153195 /nfs/dbraw/zinc/15/31/95/1064153195.db2.gz WGZGZFKHACOWSJ-LJQANCHMSA-N 1 1 469.682 2.551 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291616036 1064153198 /nfs/dbraw/zinc/15/31/98/1064153198.db2.gz WGZGZFKHACOWSJ-LJQANCHMSA-N 1 1 469.682 2.551 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085210 1064153381 /nfs/dbraw/zinc/15/33/81/1064153381.db2.gz CYEFFLWUJYQEAY-MOPGFXCFSA-N 1 1 456.591 2.627 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088972 1064160069 /nfs/dbraw/zinc/16/00/69/1064160069.db2.gz WYTPSYBZRICYPC-QZTJIDSGSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088972 1064160072 /nfs/dbraw/zinc/16/00/72/1064160072.db2.gz WYTPSYBZRICYPC-QZTJIDSGSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092042 1064163667 /nfs/dbraw/zinc/16/36/67/1064163667.db2.gz FMPGXYIYKRLFHL-FGZHOGPDSA-N 1 1 499.660 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092043 1064163680 /nfs/dbraw/zinc/16/36/80/1064163680.db2.gz FMPGXYIYKRLFHL-VXKWHMMOSA-N 1 1 499.660 2.868 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001296092656 1064165044 /nfs/dbraw/zinc/16/50/44/1064165044.db2.gz JFNXNQURJFTKKS-OAQYLSRUSA-N 1 1 481.645 2.967 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095393 1064168661 /nfs/dbraw/zinc/16/86/61/1064168661.db2.gz ITYDJXXUBMGUGN-WIYYLYMNSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001296098375 1064171803 /nfs/dbraw/zinc/17/18/03/1064171803.db2.gz XLGSAGGESTXRDY-UFYCRDLUSA-N 1 1 489.665 2.891 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291629212 1064173446 /nfs/dbraw/zinc/17/34/46/1064173446.db2.gz ILDQYOUTUVZNGR-VWNXMTODSA-N 1 1 484.689 2.883 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291629390 1064173460 /nfs/dbraw/zinc/17/34/60/1064173460.db2.gz NUNIMOBSWSVFQN-QGZVFWFLSA-N 1 1 451.550 2.795 20 0 JFADMO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296101309 1064175621 /nfs/dbraw/zinc/17/56/21/1064175621.db2.gz PYLKJODACKRLFL-UXHICEINSA-N 1 1 488.608 2.584 20 0 JFADMO CCN1CCCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@H+]2CCC[C@H]2C)CC1=O ZINC001296101994 1064177019 /nfs/dbraw/zinc/17/70/19/1064177019.db2.gz ACWUGJOMZHRFPY-GOSISDBHSA-N 1 1 486.617 2.514 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001291631515 1064178741 /nfs/dbraw/zinc/17/87/41/1064178741.db2.gz WBUPZAXMFXNHDP-FGZHOGPDSA-N 1 1 459.683 2.801 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1=CCCOC1 ZINC001291631753 1064179238 /nfs/dbraw/zinc/17/92/38/1064179238.db2.gz QRFPJIPPCALIBP-IFMALSPDSA-N 1 1 455.603 2.700 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1CCOCC1 ZINC001291632464 1064181581 /nfs/dbraw/zinc/18/15/81/1064181581.db2.gz TVXCWIOHRNUDJG-UNMCSNQZSA-N 1 1 457.619 2.780 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291633492 1064183696 /nfs/dbraw/zinc/18/36/96/1064183696.db2.gz XCZHBBIWXHTDNI-OAQYLSRUSA-N 1 1 468.646 2.977 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639053 1064186840 /nfs/dbraw/zinc/18/68/40/1064186840.db2.gz LFXHMJMKPFFHBJ-FDFHNCONSA-N 1 1 450.672 2.694 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639558 1064187597 /nfs/dbraw/zinc/18/75/97/1064187597.db2.gz NLSJTUFCMBPNKG-DENIHFKCSA-N 1 1 459.614 2.605 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291640230 1064188973 /nfs/dbraw/zinc/18/89/73/1064188973.db2.gz UIEHGMMYBCXCDG-TUNNFDKTSA-N 1 1 474.675 2.926 20 0 JFADMO CCN1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)CC1=O ZINC001296111427 1064191334 /nfs/dbraw/zinc/19/13/34/1064191334.db2.gz MNZCYWVMGUNLHA-FQEVSTJZSA-N 1 1 491.681 2.791 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641958 1064191749 /nfs/dbraw/zinc/19/17/49/1064191749.db2.gz GYYWALHHGGQKEJ-PCCBWWKXSA-N 1 1 471.650 2.809 20 0 JFADMO CCN1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001296111710 1064192249 /nfs/dbraw/zinc/19/22/49/1064192249.db2.gz DNUXZDULUDSFAY-FQEVSTJZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCn1cc[nH+]c1C ZINC001291643540 1064195184 /nfs/dbraw/zinc/19/51/84/1064195184.db2.gz JGEFZLZUJJEXFL-SFHVURJKSA-N 1 1 471.631 2.816 20 0 JFADMO CCN1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296116158 1064196343 /nfs/dbraw/zinc/19/63/43/1064196343.db2.gz BGHSCESLOSILHU-SZPZYZBQSA-N 1 1 468.646 2.621 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CCC1(O)CCOCC1 ZINC001291643878 1064196488 /nfs/dbraw/zinc/19/64/88/1064196488.db2.gz LRFZBAXXIRNDFL-NRFANRHFSA-N 1 1 457.619 2.924 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC001296116493 1064196839 /nfs/dbraw/zinc/19/68/39/1064196839.db2.gz FKRKOFYAEJQWQF-UHFFFAOYSA-N 1 1 484.645 2.643 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC001296116493 1064196849 /nfs/dbraw/zinc/19/68/49/1064196849.db2.gz FKRKOFYAEJQWQF-UHFFFAOYSA-N 1 1 484.645 2.643 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCCN(C)c3ccccc3)CC2)CC1 ZINC001296118726 1064201918 /nfs/dbraw/zinc/20/19/18/1064201918.db2.gz ICZIWDQQNHMOTA-UHFFFAOYSA-N 1 1 467.662 2.884 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC4CCCC4)n3CC[S@@](=O)CC)CC2)CC1 ZINC001296118929 1064202715 /nfs/dbraw/zinc/20/27/15/1064202715.db2.gz LXJOCSOLGJQBJG-UMSFTDKQSA-N 1 1 492.734 2.550 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291649900 1064203078 /nfs/dbraw/zinc/20/30/78/1064203078.db2.gz JRJXNWIGUWIMOG-BHDDXSALSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC(=O)Nc3c(C)cccc3C)CC2)CC1 ZINC001296119103 1064203512 /nfs/dbraw/zinc/20/35/12/1064203512.db2.gz OYHBKBDBFXECNX-UHFFFAOYSA-N 1 1 481.645 2.613 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4ccccc4C)n3C[C@@H](C)OC)CC2)CC1 ZINC001296119262 1064203990 /nfs/dbraw/zinc/20/39/90/1064203990.db2.gz QKMQLXKVNURKKX-JOCHJYFZSA-N 1 1 482.673 2.983 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4c(F)cccc4F)n3CCOC)CC2)CC1 ZINC001296119368 1064204277 /nfs/dbraw/zinc/20/42/77/1064204277.db2.gz SHBNLTFEZSKGKD-UHFFFAOYSA-N 1 1 490.599 2.564 20 0 JFADMO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@H+]3CC)CC2)CC1 ZINC001296119487 1064204785 /nfs/dbraw/zinc/20/47/85/1064204785.db2.gz VLXXEHMRFQSLKO-JOCHJYFZSA-N 1 1 459.683 2.656 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001291652178 1064205506 /nfs/dbraw/zinc/20/55/06/1064205506.db2.gz RIQQOAZCKOQIMZ-TZIWHRDSSA-N 1 1 467.618 2.786 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296119839 1064206289 /nfs/dbraw/zinc/20/62/89/1064206289.db2.gz YDMWZOADFPVWEP-UHFFFAOYSA-N 1 1 499.635 2.950 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119850 1064206308 /nfs/dbraw/zinc/20/63/08/1064206308.db2.gz BQUJEYTZECZUPF-MSOLQXFVSA-N 1 1 477.451 2.959 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119854 1064206631 /nfs/dbraw/zinc/20/66/31/1064206631.db2.gz BQUJEYTZECZUPF-ROUUACIJSA-N 1 1 477.451 2.959 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)CC)CC2)CC1 ZINC001296119884 1064206813 /nfs/dbraw/zinc/20/68/13/1064206813.db2.gz YUZJCSDMZDNENW-UHFFFAOYSA-N 1 1 487.693 2.607 20 0 JFADMO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1=O ZINC001296119974 1064207105 /nfs/dbraw/zinc/20/71/05/1064207105.db2.gz JHMPZHQBGYNSMY-UHFFFAOYSA-N 1 1 455.538 2.650 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120101 1064207870 /nfs/dbraw/zinc/20/78/70/1064207870.db2.gz DRUFOSKHUNXFPW-INIZCTEOSA-N 1 1 491.438 2.697 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120119 1064208188 /nfs/dbraw/zinc/20/81/88/1064208188.db2.gz FDPFJNAHVSPNBC-VQTJNVASSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120254 1064209030 /nfs/dbraw/zinc/20/90/30/1064209030.db2.gz GUPZWNSZTZVUTG-SFHVURJKSA-N 1 1 472.613 2.542 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120377 1064209340 /nfs/dbraw/zinc/20/93/40/1064209340.db2.gz IHQDWRANOVPOTE-JOCHJYFZSA-N 1 1 467.662 2.780 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121519 1064212632 /nfs/dbraw/zinc/21/26/32/1064212632.db2.gz PHRALWJEVPADTB-IBGZPJMESA-N 1 1 461.058 2.803 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122893 1064215803 /nfs/dbraw/zinc/21/58/03/1064215803.db2.gz ZVXRMMPBXQMZEZ-UXHICEINSA-N 1 1 478.645 2.528 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291679980 1064216261 /nfs/dbraw/zinc/21/62/61/1064216261.db2.gz BXPSYUPHPTVQPW-WOJBJXKFSA-N 1 1 478.707 2.837 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124803 1064217442 /nfs/dbraw/zinc/21/74/42/1064217442.db2.gz JDFYGJZAXQNPMJ-VQTJNVASSA-N 1 1 486.661 2.992 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124564 1064217535 /nfs/dbraw/zinc/21/75/35/1064217535.db2.gz IHOJCYVXDGDTAH-LJQANCHMSA-N 1 1 452.582 2.579 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125299 1064218653 /nfs/dbraw/zinc/21/86/53/1064218653.db2.gz LUCNMUNAFYDOBO-RTBURBONSA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125566 1064219255 /nfs/dbraw/zinc/21/92/55/1064219255.db2.gz MTZRCSHKVUREES-SFHVURJKSA-N 1 1 453.591 2.913 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296126073 1064219974 /nfs/dbraw/zinc/21/99/74/1064219974.db2.gz PESCVULLQVOMRF-NHCUHLMSSA-N 1 1 456.635 2.843 20 0 JFADMO CC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001291696030 1064220070 /nfs/dbraw/zinc/22/00/70/1064220070.db2.gz SJVQTUPAEAWNLT-FQEVSTJZSA-N 1 1 454.619 2.877 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127618 1064221660 /nfs/dbraw/zinc/22/16/60/1064221660.db2.gz VODMVGSCBQAWCP-KRWDZBQOSA-N 1 1 494.015 2.652 20 0 JFADMO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291704664 1064222319 /nfs/dbraw/zinc/22/23/19/1064222319.db2.gz OBVFUTSISIODEQ-IBGZPJMESA-N 1 1 476.691 2.857 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129853 1064223181 /nfs/dbraw/zinc/22/31/81/1064223181.db2.gz BZNVUJPIVSYGSX-IFMALSPDSA-N 1 1 456.635 2.843 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131440 1064225892 /nfs/dbraw/zinc/22/58/92/1064225892.db2.gz KQLOVDNSUQPFKG-SFTDATJTSA-N 1 1 493.697 2.705 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131799 1064227463 /nfs/dbraw/zinc/22/74/63/1064227463.db2.gz NKZGRKZVXNHHRN-QUCCMNQESA-N 1 1 461.680 2.523 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131913 1064227570 /nfs/dbraw/zinc/22/75/70/1064227570.db2.gz NAZGQJGAFHXTEQ-AQNXPRMDSA-N 1 1 488.599 2.746 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(N(C)C[C@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132583 1064230709 /nfs/dbraw/zinc/23/07/09/1064230709.db2.gz BRRZUPZOBFSKFK-VXKWHMMOSA-N 1 1 481.689 2.592 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132869 1064232323 /nfs/dbraw/zinc/23/23/23/1064232323.db2.gz XDFYJIYBJAKCGP-GBESFXJTSA-N 1 1 462.589 2.787 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133007 1064232654 /nfs/dbraw/zinc/23/26/54/1064232654.db2.gz SGJJUQYUVBUJNV-IBGZPJMESA-N 1 1 453.635 2.568 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133356 1064233479 /nfs/dbraw/zinc/23/34/79/1064233479.db2.gz TVOKQEGBWGJKPR-PMACEKPBSA-N 1 1 475.682 2.923 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001291751478 1064234834 /nfs/dbraw/zinc/23/48/34/1064234834.db2.gz DZKATAASRUTAKL-SFHVURJKSA-N 1 1 499.660 2.853 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134428 1064236170 /nfs/dbraw/zinc/23/61/70/1064236170.db2.gz OZZDUPWEXLIORH-VXKWHMMOSA-N 1 1 470.662 2.929 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134832 1064237067 /nfs/dbraw/zinc/23/70/67/1064237067.db2.gz RATWMNQJDPXHJE-NRFANRHFSA-N 1 1 473.710 2.732 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134940 1064237974 /nfs/dbraw/zinc/23/79/74/1064237974.db2.gz TUHQUROUDRTMRG-RDGATRHJSA-N 1 1 472.682 2.561 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291758612 1064238455 /nfs/dbraw/zinc/23/84/55/1064238455.db2.gz ASWNTNMETHHPDQ-QUCCMNQESA-N 1 1 469.590 2.518 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291758816 1064238898 /nfs/dbraw/zinc/23/88/98/1064238898.db2.gz BMORPKLOKFVOQT-KRWDZBQOSA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291758817 1064238914 /nfs/dbraw/zinc/23/89/14/1064238914.db2.gz BMORPKLOKFVOQT-QGZVFWFLSA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001291759039 1064239307 /nfs/dbraw/zinc/23/93/07/1064239307.db2.gz DIGNHWVVKJXQKM-AABGKKOBSA-N 1 1 491.681 2.982 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291759089 1064239327 /nfs/dbraw/zinc/23/93/27/1064239327.db2.gz CKJCLTBAIWCHSE-KRWDZBQOSA-N 1 1 472.590 2.771 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759750 1064240530 /nfs/dbraw/zinc/24/05/30/1064240530.db2.gz JXGUBZUPLMHAQO-QYZOEREBSA-N 1 1 496.653 2.758 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001291760012 1064240863 /nfs/dbraw/zinc/24/08/63/1064240863.db2.gz MNOIKDPYEPMSPU-QUCCMNQESA-N 1 1 455.607 2.909 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296137445 1064243295 /nfs/dbraw/zinc/24/32/95/1064243295.db2.gz OQSLYMODFXXJAF-RBUKOAKNSA-N 1 1 489.665 2.736 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001291762228 1064243403 /nfs/dbraw/zinc/24/34/03/1064243403.db2.gz XGRFWDHYHGVARN-LJQANCHMSA-N 1 1 467.618 2.689 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243805 /nfs/dbraw/zinc/24/38/05/1064243805.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 1 1 455.651 2.857 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243813 /nfs/dbraw/zinc/24/38/13/1064243813.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 1 1 455.651 2.857 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001296140990 1064246542 /nfs/dbraw/zinc/24/65/42/1064246542.db2.gz AYPABOKSOKCSLH-WIYYLYMNSA-N 1 1 476.588 2.733 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296141180 1064247100 /nfs/dbraw/zinc/24/71/00/1064247100.db2.gz BGSXTTXBSNMFLX-CJFMBICVSA-N 1 1 473.618 2.937 20 0 JFADMO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001291766675 1064248053 /nfs/dbraw/zinc/24/80/53/1064248053.db2.gz DYLLLMPHPFGVFX-LEWJYISDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001291766675 1064248063 /nfs/dbraw/zinc/24/80/63/1064248063.db2.gz DYLLLMPHPFGVFX-LEWJYISDSA-N 1 1 456.635 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296142315 1064249058 /nfs/dbraw/zinc/24/90/58/1064249058.db2.gz DDADFWDIWIBTAI-SJLPKXTDSA-N 1 1 464.561 2.947 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001296142624 1064249974 /nfs/dbraw/zinc/24/99/74/1064249974.db2.gz DUVVTTJXXCYZLK-QZTJIDSGSA-N 1 1 489.024 2.776 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001296142625 1064250098 /nfs/dbraw/zinc/25/00/98/1064250098.db2.gz DUVVTTJXXCYZLK-ROUUACIJSA-N 1 1 489.024 2.776 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250344 /nfs/dbraw/zinc/25/03/44/1064250344.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 1 1 497.688 2.819 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 ZINC001291768512 1064250636 /nfs/dbraw/zinc/25/06/36/1064250636.db2.gz XAVCXDSLNVRJOP-HNNXBMFYSA-N 1 1 470.437 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@@H]1C ZINC001296142730 1064251052 /nfs/dbraw/zinc/25/10/52/1064251052.db2.gz MSSOYWCCVZAHSB-OFVILXPXSA-N 1 1 476.666 2.642 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 ZINC001291770987 1064252533 /nfs/dbraw/zinc/25/25/33/1064252533.db2.gz BMOOWRRBWPPRCH-KRWDZBQOSA-N 1 1 453.591 2.627 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001296143444 1064252999 /nfs/dbraw/zinc/25/29/99/1064252999.db2.gz QEZKRNBALHJVPF-UUOWRZLLSA-N 1 1 453.591 2.653 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291771400 1064253834 /nfs/dbraw/zinc/25/38/34/1064253834.db2.gz DOWWTBWVFJGBDF-OALUTQOASA-N 1 1 494.644 2.633 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291771399 1064253949 /nfs/dbraw/zinc/25/39/49/1064253949.db2.gz DOWWTBWVFJGBDF-MOPGFXCFSA-N 1 1 494.644 2.633 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H]2COCCO2)C[C@H]1C ZINC001296144799 1064254432 /nfs/dbraw/zinc/25/44/32/1064254432.db2.gz WEOJQSRHROJTSZ-GDBMZVCRSA-N 1 1 468.371 2.793 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291771907 1064254631 /nfs/dbraw/zinc/25/46/31/1064254631.db2.gz KIHYCVYZNUYNMH-IRXDYDNUSA-N 1 1 489.621 2.840 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254926 /nfs/dbraw/zinc/25/49/26/1064254926.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 1 1 468.650 2.968 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254932 /nfs/dbraw/zinc/25/49/32/1064254932.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 1 1 468.650 2.968 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001291772204 1064255143 /nfs/dbraw/zinc/25/51/43/1064255143.db2.gz OUZFBSUMAKYDFV-OAHLLOKOSA-N 1 1 458.517 2.819 20 0 JFADMO CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296145921 1064256365 /nfs/dbraw/zinc/25/63/65/1064256365.db2.gz HCXSTCTXFFGCJB-LJQANCHMSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCCCO2)C[C@H]1C ZINC001296146257 1064256867 /nfs/dbraw/zinc/25/68/67/1064256867.db2.gz JQGJIMWZTSUPGJ-QUCCMNQESA-N 1 1 461.632 2.838 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001296146327 1064257300 /nfs/dbraw/zinc/25/73/00/1064257300.db2.gz NTEMSTPKHRGNSU-XLIONFOSSA-N 1 1 467.549 2.983 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@@H]1C ZINC001296147231 1064258395 /nfs/dbraw/zinc/25/83/95/1064258395.db2.gz RPTVBWNNXMZDQO-WJFTUGDTSA-N 1 1 484.711 2.649 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001296148228 1064259373 /nfs/dbraw/zinc/25/93/73/1064259373.db2.gz UOIOXNAWKWYOPV-DUTUXMCTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1C ZINC001296148228 1064259381 /nfs/dbraw/zinc/25/93/81/1064259381.db2.gz UOIOXNAWKWYOPV-DUTUXMCTSA-N 1 1 472.659 2.979 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001291773723 1064259836 /nfs/dbraw/zinc/25/98/36/1064259836.db2.gz VQXOPHXMDDNJNW-HFJWLAOPSA-N 1 1 494.644 2.668 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291773781 1064260216 /nfs/dbraw/zinc/26/02/16/1064260216.db2.gz JSWRATVPAPKENV-QUCCMNQESA-N 1 1 458.582 2.614 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296148574 1064260377 /nfs/dbraw/zinc/26/03/77/1064260377.db2.gz YIESKWZVRBVXCT-AWEZNQCLSA-N 1 1 470.437 2.841 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001296148544 1064260436 /nfs/dbraw/zinc/26/04/36/1064260436.db2.gz XSGFMQCRQDQUSR-FPOVZHCZSA-N 1 1 463.586 2.714 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260804 /nfs/dbraw/zinc/26/08/04/1064260804.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 1 1 486.661 2.994 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260809 /nfs/dbraw/zinc/26/08/09/1064260809.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291773811 1064260893 /nfs/dbraw/zinc/26/08/93/1064260893.db2.gz KGXPCPGCWFWTQI-IRXDYDNUSA-N 1 1 464.552 2.925 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCOC1 ZINC001291773903 1064261235 /nfs/dbraw/zinc/26/12/35/1064261235.db2.gz WBIRHSVKTFAKGO-RTBURBONSA-N 1 1 477.679 2.831 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(CC)C1 ZINC001291774042 1064261373 /nfs/dbraw/zinc/26/13/73/1064261373.db2.gz XDHWTKGFGHTZCF-BVZFJXPGSA-N 1 1 467.618 2.928 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C ZINC001296149781 1064261734 /nfs/dbraw/zinc/26/17/34/1064261734.db2.gz KKLBBJCCUIJDGV-QRQCRPRQSA-N 1 1 491.434 2.725 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001291774121 1064262265 /nfs/dbraw/zinc/26/22/65/1064262265.db2.gz LSCYSKZVRGUGBN-MBSDFSHPSA-N 1 1 470.618 2.968 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001291774384 1064262649 /nfs/dbraw/zinc/26/26/49/1064262649.db2.gz MWUJXDPLWIQHDY-LWYYNNOASA-N 1 1 478.638 2.684 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001296151136 1064262946 /nfs/dbraw/zinc/26/29/46/1064262946.db2.gz UBAPJLAKBHBBQC-UYAOXDASSA-N 1 1 459.591 2.688 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCSC)C[C@@H]1C ZINC001296151410 1064262962 /nfs/dbraw/zinc/26/29/62/1064262962.db2.gz ZKQQOHSADVMUOY-SFHVURJKSA-N 1 1 455.636 2.985 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001296153987 1064263875 /nfs/dbraw/zinc/26/38/75/1064263875.db2.gz ICGQZYDFFIRWPK-QGZVFWFLSA-N 1 1 452.559 2.945 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001291775237 1064264108 /nfs/dbraw/zinc/26/41/08/1064264108.db2.gz VRTSTSQIBBJEDQ-QUCCMNQESA-N 1 1 452.669 2.670 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(F)F)CC1 ZINC001291775762 1064264391 /nfs/dbraw/zinc/26/43/91/1064264391.db2.gz ZIKPNQQBTVVMAE-PXNSSMCTSA-N 1 1 464.561 2.908 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775803 1064264968 /nfs/dbraw/zinc/26/49/68/1064264968.db2.gz ZQLPQOSHARDIQV-PGRDOPGGSA-N 1 1 491.658 2.924 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291776991 1064265467 /nfs/dbraw/zinc/26/54/67/1064265467.db2.gz APSFUSVBUDJHBG-DHIUTWEWSA-N 1 1 496.704 2.517 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001296155010 1064266572 /nfs/dbraw/zinc/26/65/72/1064266572.db2.gz MCVIPTAUTQLACX-YJBOKZPZSA-N 1 1 466.508 2.749 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001291779292 1064267366 /nfs/dbraw/zinc/26/73/66/1064267366.db2.gz PGCILSSNBOZRRX-QMHKHESXSA-N 1 1 462.545 2.908 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@@H]1C ZINC001296155718 1064267618 /nfs/dbraw/zinc/26/76/18/1064267618.db2.gz SADNMWUNJFGWOY-GHTZIAJQSA-N 1 1 467.618 2.793 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001291779881 1064267817 /nfs/dbraw/zinc/26/78/17/1064267817.db2.gz UDBFXKNVRHLHAO-LJQANCHMSA-N 1 1 494.619 2.559 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001291780979 1064268368 /nfs/dbraw/zinc/26/83/68/1064268368.db2.gz CEQNQERZFHOVQD-SFTDATJTSA-N 1 1 480.661 2.988 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001291780972 1064268483 /nfs/dbraw/zinc/26/84/83/1064268483.db2.gz CEQNQERZFHOVQD-LEWJYISDSA-N 1 1 480.661 2.988 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269083 /nfs/dbraw/zinc/26/90/83/1064269083.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269092 /nfs/dbraw/zinc/26/90/92/1064269092.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 1 1 491.681 2.601 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOC)C[C@H]1C ZINC001296156984 1064269213 /nfs/dbraw/zinc/26/92/13/1064269213.db2.gz WLGZHYPDNDWSMN-GOSISDBHSA-N 1 1 453.591 2.803 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(F)(F)F)C[C@@H]1C ZINC001296157476 1064270018 /nfs/dbraw/zinc/27/00/18/1064270018.db2.gz XTKVTIWZMPQJML-HOCLYGCPSA-N 1 1 452.481 2.707 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)C[C@H]1C ZINC001296157564 1064270420 /nfs/dbraw/zinc/27/04/20/1064270420.db2.gz ZNNXLBYQEOAZPX-LLVKDONJSA-N 1 1 461.311 2.524 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001291782289 1064270432 /nfs/dbraw/zinc/27/04/32/1064270432.db2.gz CKIPCUPATMQJRM-LPHOPBHVSA-N 1 1 470.039 2.864 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001291782292 1064270508 /nfs/dbraw/zinc/27/05/08/1064270508.db2.gz CMZCAUVZRFUFOM-GHTZIAJQSA-N 1 1 458.582 2.848 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)NC)CC1 ZINC001291782323 1064271239 /nfs/dbraw/zinc/27/12/39/1064271239.db2.gz CXNGKOQYCAEVLK-HXUWFJFHSA-N 1 1 457.623 2.666 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001296158184 1064271323 /nfs/dbraw/zinc/27/13/23/1064271323.db2.gz GQVZYQWZQPBGHX-KHOMTPLRSA-N 1 1 492.665 2.932 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001291782528 1064271870 /nfs/dbraw/zinc/27/18/70/1064271870.db2.gz PUVUODLFLJNHAI-HSZRJFAPSA-N 1 1 496.704 2.519 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001291782560 1064272457 /nfs/dbraw/zinc/27/24/57/1064272457.db2.gz FKRQZBUCSYKJHI-LJQANCHMSA-N 1 1 484.645 2.753 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001291782530 1064272481 /nfs/dbraw/zinc/27/24/81/1064272481.db2.gz PUVUODLFLJNHAI-QHCPKHFHSA-N 1 1 496.704 2.519 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001291782588 1064273009 /nfs/dbraw/zinc/27/30/09/1064273009.db2.gz FLGUBMXSHIILSR-SBUREZEXSA-N 1 1 461.010 2.957 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 ZINC001291782840 1064274037 /nfs/dbraw/zinc/27/40/37/1064274037.db2.gz HKWNTTHCNDZWSR-QGZVFWFLSA-N 1 1 454.579 2.516 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001291783414 1064276597 /nfs/dbraw/zinc/27/65/97/1064276597.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001291783414 1064276612 /nfs/dbraw/zinc/27/66/12/1064276612.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 1 1 459.664 2.674 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291783919 1064277730 /nfs/dbraw/zinc/27/77/30/1064277730.db2.gz PITWTXQHMXABGQ-UXHICEINSA-N 1 1 463.648 2.828 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291784077 1064278232 /nfs/dbraw/zinc/27/82/32/1064278232.db2.gz QLLDDPPNJIFABM-FQEVSTJZSA-N 1 1 494.644 2.538 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291784338 1064278908 /nfs/dbraw/zinc/27/89/08/1064278908.db2.gz FZPODYMSDOFFBT-GHTZIAJQSA-N 1 1 458.582 2.961 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784380 1064279035 /nfs/dbraw/zinc/27/90/35/1064279035.db2.gz GYSZBWNYEDTRFI-IRXDYDNUSA-N 1 1 462.599 2.794 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291785327 1064280799 /nfs/dbraw/zinc/28/07/99/1064280799.db2.gz VCVGGQHDUOAWMN-QGZVFWFLSA-N 1 1 460.554 2.805 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296163936 1064281096 /nfs/dbraw/zinc/28/10/96/1064281096.db2.gz ZNXQAJDJCSCNAN-IEBWSBKVSA-N 1 1 458.573 2.977 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001296164719 1064282394 /nfs/dbraw/zinc/28/23/94/1064282394.db2.gz BFHRRNOURQYGRG-GOSISDBHSA-N 1 1 487.674 2.591 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001291786237 1064282892 /nfs/dbraw/zinc/28/28/92/1064282892.db2.gz RNIZLZCPXRGZKF-IFMALSPDSA-N 1 1 490.674 2.761 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001291787311 1064284724 /nfs/dbraw/zinc/28/47/24/1064284724.db2.gz ZKXRVEQMLJZGPG-FQEVSTJZSA-N 1 1 483.661 2.913 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296165857 1064286201 /nfs/dbraw/zinc/28/62/01/1064286201.db2.gz BHXYVAANFRTOPQ-VWNXMTODSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290815 /nfs/dbraw/zinc/29/08/15/1064290815.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290824 /nfs/dbraw/zinc/29/08/24/1064290824.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 1 1 470.662 2.787 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001296168307 1064291352 /nfs/dbraw/zinc/29/13/52/1064291352.db2.gz JPJFKSJRTBJXHX-INIZCTEOSA-N 1 1 451.497 2.974 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC2(O)CCOCC2)C[C@@H]1C ZINC001296172853 1064293910 /nfs/dbraw/zinc/29/39/10/1064293910.db2.gz AXNWINANKZIBDH-NRFANRHFSA-N 1 1 457.619 2.936 20 0 JFADMO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001291794645 1064296730 /nfs/dbraw/zinc/29/67/30/1064296730.db2.gz VATUACPRXUAXFI-VWNVYAMZSA-N 1 1 481.645 2.725 20 0 JFADMO CCn1cccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1=O ZINC001296173711 1064297797 /nfs/dbraw/zinc/29/77/97/1064297797.db2.gz KOZPBHKOQSPRPK-GOSISDBHSA-N 1 1 454.550 2.757 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298148 /nfs/dbraw/zinc/29/81/48/1064298148.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 1 1 462.683 2.901 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298155 /nfs/dbraw/zinc/29/81/55/1064298155.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 1 1 462.683 2.901 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296174205 1064300710 /nfs/dbraw/zinc/30/07/10/1064300710.db2.gz OJVLUBOLHPVXBZ-RBBKRZOGSA-N 1 1 474.625 2.883 20 0 JFADMO CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296175240 1064303790 /nfs/dbraw/zinc/30/37/90/1064303790.db2.gz VUQAHJHTMAXAQW-FQEVSTJZSA-N 1 1 472.634 2.507 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291796318 1064303698 /nfs/dbraw/zinc/30/36/98/1064303698.db2.gz ZKJFNZICDFALKY-CMKODMSKSA-N 1 1 491.036 2.897 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291796318 1064303712 /nfs/dbraw/zinc/30/37/12/1064303712.db2.gz ZKJFNZICDFALKY-CMKODMSKSA-N 1 1 491.036 2.897 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001296175289 1064304247 /nfs/dbraw/zinc/30/42/47/1064304247.db2.gz WLALWWWMCXQBLY-LJQANCHMSA-N 1 1 470.647 2.583 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2conc2COC)C[C@H]1C ZINC001296175582 1064304415 /nfs/dbraw/zinc/30/44/15/1064304415.db2.gz XJXUZCWGLONGDF-QGZVFWFLSA-N 1 1 456.547 2.579 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304598 /nfs/dbraw/zinc/30/45/98/1064304598.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 1 1 491.681 2.601 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291796651 1064305275 /nfs/dbraw/zinc/30/52/75/1064305275.db2.gz LJEDENJXUKPNCD-QUCCMNQESA-N 1 1 470.618 2.942 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291797560 1064307204 /nfs/dbraw/zinc/30/72/04/1064307204.db2.gz XUCQXXJQXIQYBX-IFMALSPDSA-N 1 1 481.645 2.530 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179493 1064308775 /nfs/dbraw/zinc/30/87/75/1064308775.db2.gz HKUZWQZEIKMIEA-LJQANCHMSA-N 1 1 481.016 2.617 20 0 JFADMO CCN1CCN(C2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)C1=O ZINC001296180293 1064311419 /nfs/dbraw/zinc/31/14/19/1064311419.db2.gz MVCNVSPZKKHOQW-HXUWFJFHSA-N 1 1 461.655 2.629 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180523 1064311556 /nfs/dbraw/zinc/31/15/56/1064311556.db2.gz NUOHPDIEBKCSQC-NRFANRHFSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291802630 1064312817 /nfs/dbraw/zinc/31/28/17/1064312817.db2.gz DIANBIDATSLNGI-QRVBRYPASA-N 1 1 486.617 2.524 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291802630 1064312825 /nfs/dbraw/zinc/31/28/25/1064312825.db2.gz DIANBIDATSLNGI-QRVBRYPASA-N 1 1 486.617 2.524 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291802850 1064313413 /nfs/dbraw/zinc/31/34/13/1064313413.db2.gz GNHANKJLCKWLLQ-ICSRJNTNSA-N 1 1 489.068 2.515 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3cccs3)C2)CC1 ZINC001296181394 1064314751 /nfs/dbraw/zinc/31/47/51/1064314751.db2.gz WJHIYLPMFUEJBJ-LJQANCHMSA-N 1 1 473.691 2.574 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181765 1064317782 /nfs/dbraw/zinc/31/77/82/1064317782.db2.gz CEYHXTLZTBEAPT-OFVILXPXSA-N 1 1 456.635 2.543 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182147 1064321865 /nfs/dbraw/zinc/32/18/65/1064321865.db2.gz NSQDOWUAMBADPB-XMMPIXPASA-N 1 1 495.716 2.832 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296182362 1064323085 /nfs/dbraw/zinc/32/30/85/1064323085.db2.gz QSDAIWYBLOLOHC-ZEQKJWHPSA-N 1 1 454.663 2.687 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(F)(F)F)C2)CC1 ZINC001296182390 1064323364 /nfs/dbraw/zinc/32/33/64/1064323364.db2.gz RQYSYMMRSHFMJI-GOSISDBHSA-N 1 1 452.525 2.944 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001291806044 1064326381 /nfs/dbraw/zinc/32/63/81/1064326381.db2.gz YRFAFVDLSVZWDT-KSZLIROESA-N 1 1 456.591 2.898 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183807 1064329816 /nfs/dbraw/zinc/32/98/16/1064329816.db2.gz GHZRGAXCAGADIE-UXHICEINSA-N 1 1 477.698 2.990 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296183859 1064330238 /nfs/dbraw/zinc/33/02/38/1064330238.db2.gz HHKFMABKQMQDAC-LJQANCHMSA-N 1 1 476.069 2.833 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296184992 1064333014 /nfs/dbraw/zinc/33/30/14/1064333014.db2.gz NDANNLZCMZZUGZ-JOCHJYFZSA-N 1 1 497.688 2.532 20 0 JFADMO CCn1cc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)cn1 ZINC001296185680 1064333484 /nfs/dbraw/zinc/33/34/84/1064333484.db2.gz QNQAZHLYKWEBMU-IBGZPJMESA-N 1 1 454.623 2.973 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291809134 1064333783 /nfs/dbraw/zinc/33/37/83/1064333783.db2.gz RVWUNVXCRIOBMO-QGZVFWFLSA-N 1 1 456.639 2.523 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190837 1064340525 /nfs/dbraw/zinc/34/05/25/1064340525.db2.gz GCDINCBXVIBEAZ-DHIUTWEWSA-N 1 1 454.663 2.952 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812973 1064340932 /nfs/dbraw/zinc/34/09/32/1064340932.db2.gz SJQFQXKDBYXAMD-AWRGLXIESA-N 1 1 495.672 2.629 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191181 1064341323 /nfs/dbraw/zinc/34/13/23/1064341323.db2.gz IBHWZMCBKKGPPB-GOSISDBHSA-N 1 1 462.589 2.646 20 0 JFADMO COc1ccccc1[C@H](CNC(=O)c1sccc1S(=O)(=O)N(C)C)[NH+]1CCCCC1 ZINC001291814220 1064342129 /nfs/dbraw/zinc/34/21/29/1064342129.db2.gz DSXUCAKANVZUSM-KRWDZBQOSA-N 1 1 451.614 2.964 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296192187 1064344636 /nfs/dbraw/zinc/34/46/36/1064344636.db2.gz DLRUUYHKLDZNEE-PKOBYXMFSA-N 1 1 458.573 2.977 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1 ZINC001296192362 1064344810 /nfs/dbraw/zinc/34/48/10/1064344810.db2.gz DKJUZFJDJJIFCV-FQEVSTJZSA-N 1 1 481.636 2.706 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193151 1064348679 /nfs/dbraw/zinc/34/86/79/1064348679.db2.gz HQCRARZZSUJHMY-CTNGQTDRSA-N 1 1 475.682 2.923 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193408 1064351143 /nfs/dbraw/zinc/35/11/43/1064351143.db2.gz PDROLAUYWKMQQB-HKUYNNGSSA-N 1 1 486.608 2.972 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193706 1064351204 /nfs/dbraw/zinc/35/12/04/1064351204.db2.gz PEGUDNNKFUMLNZ-IRLDBZIGSA-N 1 1 489.709 2.998 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296193647 1064351637 /nfs/dbraw/zinc/35/16/37/1064351637.db2.gz KCKRCITWOSFEIG-FQEVSTJZSA-N 1 1 464.618 2.654 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193766 1064353243 /nfs/dbraw/zinc/35/32/43/1064353243.db2.gz QCZHXQSVHGJWQN-OFVILXPXSA-N 1 1 455.651 2.543 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194082 1064354080 /nfs/dbraw/zinc/35/40/80/1064354080.db2.gz LIDSLLFRDKGZOM-JOCHJYFZSA-N 1 1 467.662 2.523 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195332 1064360319 /nfs/dbraw/zinc/36/03/19/1064360319.db2.gz OTBBKGBCJFBJPI-QTZVNIFKSA-N 1 1 492.709 2.671 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195331 1064360359 /nfs/dbraw/zinc/36/03/59/1064360359.db2.gz OTBBKGBCJFBJPI-KSZLKVKMSA-N 1 1 492.709 2.671 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195735 1064363455 /nfs/dbraw/zinc/36/34/55/1064363455.db2.gz QXKMZDZMRPVQGG-ZWKOTPCHSA-N 1 1 466.556 2.787 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196106 1064364745 /nfs/dbraw/zinc/36/47/45/1064364745.db2.gz XHAQSBNCWDBTHK-IFMALSPDSA-N 1 1 457.692 2.869 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196112 1064364879 /nfs/dbraw/zinc/36/48/79/1064364879.db2.gz XHAQSBNCWDBTHK-UNMCSNQZSA-N 1 1 457.692 2.869 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196098 1064364918 /nfs/dbraw/zinc/36/49/18/1064364918.db2.gz XCZUZDUEXNWSDH-ZJOUEHCJSA-N 1 1 495.594 2.694 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196151 1064365582 /nfs/dbraw/zinc/36/55/82/1064365582.db2.gz XMEJNRLTNVWGFQ-FYYLOGMGSA-N 1 1 469.678 2.789 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196369 1064366374 /nfs/dbraw/zinc/36/63/74/1064366374.db2.gz SBIYNAURZJDMHW-UGKGYDQZSA-N 1 1 471.698 2.899 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196367 1064366584 /nfs/dbraw/zinc/36/65/84/1064366584.db2.gz SBIYNAURZJDMHW-KNQAVFIVSA-N 1 1 471.698 2.899 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296196503 1064367219 /nfs/dbraw/zinc/36/72/19/1064367219.db2.gz UDVYINJFELCEPK-OALUTQOASA-N 1 1 474.053 2.539 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001291822992 1064367541 /nfs/dbraw/zinc/36/75/41/1064367541.db2.gz PSDPFYFTYVAYDT-MOPGFXCFSA-N 1 1 487.674 2.650 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296196402 1064367512 /nfs/dbraw/zinc/36/75/12/1064367512.db2.gz SZPKSPWOZITTGZ-HNNXBMFYSA-N 1 1 476.427 2.786 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cscn2)CC1 ZINC001296196692 1064369575 /nfs/dbraw/zinc/36/95/75/1064369575.db2.gz ZCOUNMMSCQXKSJ-LJQANCHMSA-N 1 1 454.648 2.630 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196740 1064369769 /nfs/dbraw/zinc/36/97/69/1064369769.db2.gz ZUQZWJSIMAXYLF-JOCHJYFZSA-N 1 1 482.673 2.726 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296196939 1064370290 /nfs/dbraw/zinc/37/02/90/1064370290.db2.gz WDFBTOIVZZJXNJ-DHIUTWEWSA-N 1 1 498.672 2.829 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296196990 1064371143 /nfs/dbraw/zinc/37/11/43/1064371143.db2.gz XNKBHIKPUKNKEP-UXHICEINSA-N 1 1 475.682 2.875 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001296197454 1064374099 /nfs/dbraw/zinc/37/40/99/1064374099.db2.gz WBJGQAMKSGIFSL-HXUWFJFHSA-N 1 1 474.053 2.718 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296201739 1064375829 /nfs/dbraw/zinc/37/58/29/1064375829.db2.gz ABXBWFWQEHYJAS-UHFFFAOYSA-N 1 1 473.632 2.969 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296202567 1064378644 /nfs/dbraw/zinc/37/86/44/1064378644.db2.gz FXVWPWMLLVNQJI-KDURUIRLSA-N 1 1 490.603 2.681 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203028 1064379279 /nfs/dbraw/zinc/37/92/79/1064379279.db2.gz GZKZNHBGIXHNGJ-NRFANRHFSA-N 1 1 464.561 2.793 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296203399 1064381334 /nfs/dbraw/zinc/38/13/34/1064381334.db2.gz MHEQZDXRJGHFCN-UHFFFAOYSA-N 1 1 459.683 2.658 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296203760 1064382820 /nfs/dbraw/zinc/38/28/20/1064382820.db2.gz PAKJQLHVRVURME-HXUWFJFHSA-N 1 1 463.671 2.875 20 0 JFADMO CCN1CC[NH+](CCCn2c(C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001296203749 1064382954 /nfs/dbraw/zinc/38/29/54/1064382954.db2.gz OTCMEOLLMJGYLR-CBQGHPETSA-N 1 1 475.682 2.981 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296203784 1064383544 /nfs/dbraw/zinc/38/35/44/1064383544.db2.gz OEJXEUKQEYXSSI-UHFFFAOYSA-N 1 1 497.688 2.560 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204048 1064384967 /nfs/dbraw/zinc/38/49/67/1064384967.db2.gz QEWWIJVCFCEUPI-HXUWFJFHSA-N 1 1 460.598 2.812 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296204243 1064385740 /nfs/dbraw/zinc/38/57/40/1064385740.db2.gz IXMCRPZBFGEPOS-FGZHOGPDSA-N 1 1 462.683 2.984 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC=CCC2)CC1 ZINC001296204620 1064387115 /nfs/dbraw/zinc/38/71/15/1064387115.db2.gz XZPSDJSMBAHSNK-UHFFFAOYSA-N 1 1 472.037 2.655 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001296204772 1064387787 /nfs/dbraw/zinc/38/77/87/1064387787.db2.gz WNPJFLPUAGKXES-JOCHJYFZSA-N 1 1 461.699 2.637 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296205215 1064390005 /nfs/dbraw/zinc/39/00/05/1064390005.db2.gz YRVXCWWDULNNDS-NRFANRHFSA-N 1 1 455.651 2.685 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001296205877 1064392736 /nfs/dbraw/zinc/39/27/36/1064392736.db2.gz DTFRFBMFOQRWOG-QHCPKHFHSA-N 1 1 456.635 2.843 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296206205 1064393481 /nfs/dbraw/zinc/39/34/81/1064393481.db2.gz JPQRBAVJOSIZCV-UHFFFAOYSA-N 1 1 497.688 2.676 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296206272 1064393925 /nfs/dbraw/zinc/39/39/25/1064393925.db2.gz LQPNCOXUUNOZNT-QFIPXVFZSA-N 1 1 474.053 2.731 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296206331 1064394883 /nfs/dbraw/zinc/39/48/83/1064394883.db2.gz NLNFHIURNPVWLU-AREMUKBSSA-N 1 1 486.661 2.995 20 0 JFADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296211303 1064401981 /nfs/dbraw/zinc/40/19/81/1064401981.db2.gz MFMWQTVDVQTIGX-LADGPHEKSA-N 1 1 454.663 2.952 20 0 JFADMO CCN1CC[NH+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296216028 1064421585 /nfs/dbraw/zinc/42/15/85/1064421585.db2.gz YUYOTRDOGPWQIA-DHYKOVJISA-N 1 1 474.675 2.531 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296216564 1064424435 /nfs/dbraw/zinc/42/44/35/1064424435.db2.gz PNIUPMJGVUROGZ-QZTJIDSGSA-N 1 1 485.658 2.583 20 0 JFADMO CCn1nc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001296216755 1064424937 /nfs/dbraw/zinc/42/49/37/1064424937.db2.gz SAMBWUBRILYZKK-RTBURBONSA-N 1 1 467.618 2.878 20 0 JFADMO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC001291845844 1064452526 /nfs/dbraw/zinc/45/25/26/1064452526.db2.gz CHXNCIDIFDMIMB-WZONZLPQSA-N 1 1 458.010 2.910 20 0 JFADMO CC[C@@H](c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001291845920 1064453600 /nfs/dbraw/zinc/45/36/00/1064453600.db2.gz UHBOFIVVVRKFQP-YMPZKCBVSA-N 1 1 489.686 2.944 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291851788 1064458228 /nfs/dbraw/zinc/45/82/28/1064458228.db2.gz UYVLVOJDBPBZIU-OAQYLSRUSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291851788 1064458231 /nfs/dbraw/zinc/45/82/31/1064458231.db2.gz UYVLVOJDBPBZIU-OAQYLSRUSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001291857923 1064466083 /nfs/dbraw/zinc/46/60/83/1064466083.db2.gz QOACRUXRYUEKFP-WWNPGLIZSA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001291857924 1064466183 /nfs/dbraw/zinc/46/61/83/1064466183.db2.gz QOACRUXRYUEKFP-YMPZKCBVSA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859015 1064468384 /nfs/dbraw/zinc/46/83/84/1064468384.db2.gz DUTJDKAYBCOUCH-KSEOMHKRSA-N 1 1 475.659 2.554 20 0 JFADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233085 1064474431 /nfs/dbraw/zinc/47/44/31/1064474431.db2.gz ZNRTWMQHJJJZRQ-LHCZNTOESA-N 1 1 452.599 2.559 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001296238656 1064484515 /nfs/dbraw/zinc/48/45/15/1064484515.db2.gz CYBJCCNSAVQKMJ-UHFFFAOYSA-N 1 1 470.618 2.657 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001296239436 1064485855 /nfs/dbraw/zinc/48/58/55/1064485855.db2.gz JDWKQSTZXBFYFI-NNWRFLSQSA-N 1 1 495.672 2.881 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296241590 1064497590 /nfs/dbraw/zinc/49/75/90/1064497590.db2.gz RJHRLVDLGRDCPC-ZWKOTPCHSA-N 1 1 460.648 2.889 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001296243012 1064504062 /nfs/dbraw/zinc/50/40/62/1064504062.db2.gz WGGQXQUVCLUUDI-UHFFFAOYSA-N 1 1 453.635 2.881 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCOC)c1ccccc1 ZINC001291887920 1064509697 /nfs/dbraw/zinc/50/96/97/1064509697.db2.gz KWGRMIFEXMXGPE-QFIPXVFZSA-N 1 1 454.619 2.601 20 0 JFADMO CC[C@H](c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCOC)c1ccccc1 ZINC001291887920 1064509703 /nfs/dbraw/zinc/50/97/03/1064509703.db2.gz KWGRMIFEXMXGPE-QFIPXVFZSA-N 1 1 454.619 2.601 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001296251744 1064515320 /nfs/dbraw/zinc/51/53/20/1064515320.db2.gz UAKBWLNOVRVYAQ-DOIPELPJSA-N 1 1 490.693 2.516 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCC(=O)N(C)C)c1ccccc1 ZINC001291891083 1064516615 /nfs/dbraw/zinc/51/66/15/1064516615.db2.gz CVNWUZQEUCXKSA-OFNKIYASSA-N 1 1 468.646 2.988 20 0 JFADMO CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCC1 ZINC001296255214 1064517544 /nfs/dbraw/zinc/51/75/44/1064517544.db2.gz JWENXDRBWZGOQK-GOSISDBHSA-N 1 1 487.674 2.667 20 0 JFADMO CC[C@@H](c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001291892732 1064519936 /nfs/dbraw/zinc/51/99/36/1064519936.db2.gz HJHPQEQYMDLVNR-DNQXCXABSA-N 1 1 481.689 2.808 20 0 JFADMO CC[C@H](c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC001291892731 1064520066 /nfs/dbraw/zinc/52/00/66/1064520066.db2.gz HJHPQEQYMDLVNR-BJKOFHAPSA-N 1 1 481.689 2.808 20 0 JFADMO CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CC1 ZINC001296256388 1064520296 /nfs/dbraw/zinc/52/02/96/1064520296.db2.gz BIZXHNVWNZNJAL-UHFFFAOYSA-N 1 1 451.633 2.596 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291892798 1064520355 /nfs/dbraw/zinc/52/03/55/1064520355.db2.gz NCVQXDJBOPTWCJ-ACIOBRDBSA-N 1 1 468.646 2.724 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291892802 1064520526 /nfs/dbraw/zinc/52/05/26/1064520526.db2.gz NCVQXDJBOPTWCJ-MDNUFGMLSA-N 1 1 468.646 2.724 20 0 JFADMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC001296256936 1064521217 /nfs/dbraw/zinc/52/12/17/1064521217.db2.gz HEHDQAOVABTMTK-UHFFFAOYSA-N 1 1 452.523 2.993 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291895411 1064526234 /nfs/dbraw/zinc/52/62/34/1064526234.db2.gz VWNSDLJYUDDEPY-IOUIBGKWSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895906 1064527760 /nfs/dbraw/zinc/52/77/60/1064527760.db2.gz ZKNXOLDYYPRKOG-HKUYNNGSSA-N 1 1 482.551 2.655 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291895926 1064528129 /nfs/dbraw/zinc/52/81/29/1064528129.db2.gz ZPHPKYWBUKDLLZ-VXKWHMMOSA-N 1 1 454.619 2.599 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCCCn1cc[nH+]c1C)c1ccccc1 ZINC001291898322 1064529360 /nfs/dbraw/zinc/52/93/60/1064529360.db2.gz FKVYZBJDUZCQSH-VXKWHMMOSA-N 1 1 465.602 2.757 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@H](COC)C2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901683 1064532619 /nfs/dbraw/zinc/53/26/19/1064532619.db2.gz MSRIPNNUICJNKZ-VXKWHMMOSA-N 1 1 457.619 2.782 20 0 JFADMO CC[C@H](c1nnc(N2CCO[C@H](COC)C2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291901683 1064532632 /nfs/dbraw/zinc/53/26/32/1064532632.db2.gz MSRIPNNUICJNKZ-VXKWHMMOSA-N 1 1 457.619 2.782 20 0 JFADMO CCNC(=O)C1(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CCC1 ZINC001296267492 1064533762 /nfs/dbraw/zinc/53/37/62/1064533762.db2.gz ISTOVYRMKCPWTC-IBGZPJMESA-N 1 1 470.618 2.703 20 0 JFADMO CCNC(=O)c1cccc(Cn2c([C@@H](C)CC)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001296277189 1064545860 /nfs/dbraw/zinc/54/58/60/1064545860.db2.gz BRCPHFKQKCODFK-NRFANRHFSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1cccc(Cn2c([C@@H](C)CC)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001296277189 1064545873 /nfs/dbraw/zinc/54/58/73/1064545873.db2.gz BRCPHFKQKCODFK-NRFANRHFSA-N 1 1 495.672 2.724 20 0 JFADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001291927653 1064546816 /nfs/dbraw/zinc/54/68/16/1064546816.db2.gz AJPQXNLJMJJMBF-FQEVSTJZSA-N 1 1 451.523 2.899 20 0 JFADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC001291927653 1064546829 /nfs/dbraw/zinc/54/68/29/1064546829.db2.gz AJPQXNLJMJJMBF-FQEVSTJZSA-N 1 1 451.523 2.899 20 0 JFADMO CCNC(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001296279595 1064549705 /nfs/dbraw/zinc/54/97/05/1064549705.db2.gz JLEVDUSMMJNTET-SFHVURJKSA-N 1 1 466.586 2.801 20 0 JFADMO CCn1c(SCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nnc1-c1ccco1 ZINC001296280021 1064550520 /nfs/dbraw/zinc/55/05/20/1064550520.db2.gz LKIUJWHSBWIUDI-IBGZPJMESA-N 1 1 455.584 2.923 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)OC ZINC001291933862 1064552816 /nfs/dbraw/zinc/55/28/16/1064552816.db2.gz JVBPADYSJPHGFH-FXAWDEMLSA-N 1 1 462.664 2.996 20 0 JFADMO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)OC ZINC001291933864 1064552914 /nfs/dbraw/zinc/55/29/14/1064552914.db2.gz JVBPADYSJPHGFH-XLIONFOSSA-N 1 1 462.664 2.996 20 0 JFADMO CCCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1=O ZINC001296281975 1064553025 /nfs/dbraw/zinc/55/30/25/1064553025.db2.gz XOQFKADRPQQMMK-JOCHJYFZSA-N 1 1 450.583 2.876 20 0 JFADMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(I)cc2O)c2ccccc2)CC1 ZINC001296283970 1064556002 /nfs/dbraw/zinc/55/60/02/1064556002.db2.gz UAXHWICAAMGGCI-GOSISDBHSA-N 1 1 451.308 2.924 20 0 JFADMO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291940745 1064556333 /nfs/dbraw/zinc/55/63/33/1064556333.db2.gz ISFJGDQUFPALJU-ILWGZMRPSA-N 1 1 476.666 2.714 20 0 JFADMO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001291945577 1064560298 /nfs/dbraw/zinc/56/02/98/1064560298.db2.gz MIPQXQPCXAXSDN-CNNODRBYSA-N 1 1 459.612 2.643 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291950779 1064562011 /nfs/dbraw/zinc/56/20/11/1064562011.db2.gz FDGPOWMMUMYBBW-OFVILXPXSA-N 1 1 476.666 2.656 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296289647 1064565153 /nfs/dbraw/zinc/56/51/53/1064565153.db2.gz VHECFYCNNOVOFP-OAQYLSRUSA-N 1 1 488.080 2.977 20 0 JFADMO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCCOC1)[NH+]1CCOCC1 ZINC001291952646 1064565856 /nfs/dbraw/zinc/56/58/56/1064565856.db2.gz MUZUYKXVOAZWBE-IRLDBZIGSA-N 1 1 476.666 2.514 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291954937 1064569297 /nfs/dbraw/zinc/56/92/97/1064569297.db2.gz WGZDKPIBHCPZFB-YADHBBJMSA-N 1 1 490.693 2.902 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001296307927 1064588906 /nfs/dbraw/zinc/58/89/06/1064588906.db2.gz QJVJNHTYYYQFPL-FQEVSTJZSA-N 1 1 455.607 2.680 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296312729 1064593073 /nfs/dbraw/zinc/59/30/73/1064593073.db2.gz YAEGJDIVOGOPPL-BGYRXZFFSA-N 1 1 468.650 2.948 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296315453 1064594466 /nfs/dbraw/zinc/59/44/66/1064594466.db2.gz BSPFTYWSTSMISV-FQEVSTJZSA-N 1 1 453.635 2.761 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296316386 1064597062 /nfs/dbraw/zinc/59/70/62/1064597062.db2.gz WTAGHZHWFDYTJF-IRLDBZIGSA-N 1 1 453.635 2.993 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291985583 1064597455 /nfs/dbraw/zinc/59/74/55/1064597455.db2.gz ALKUMYHHBXEDEQ-OSFYOIPJSA-N 1 1 475.682 2.812 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001296317414 1064599975 /nfs/dbraw/zinc/59/99/75/1064599975.db2.gz OEWHZWQHTCPLSE-NRFANRHFSA-N 1 1 476.629 2.636 20 0 JFADMO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@]3(O)CCC[N@@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001291988729 1064603260 /nfs/dbraw/zinc/60/32/60/1064603260.db2.gz AFBWZXUTGQCRAP-XMERXJNXSA-N 1 1 451.567 2.902 20 0 JFADMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCO1 ZINC001296324305 1064608763 /nfs/dbraw/zinc/60/87/63/1064608763.db2.gz YUQMVJOVVIKEHJ-SFHVURJKSA-N 1 1 459.591 2.678 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291993361 1064609003 /nfs/dbraw/zinc/60/90/03/1064609003.db2.gz GWDLWEPNXASANP-ZWKOTPCHSA-N 1 1 458.655 2.995 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291993357 1064609058 /nfs/dbraw/zinc/60/90/58/1064609058.db2.gz GWDLWEPNXASANP-QZTJIDSGSA-N 1 1 458.655 2.995 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001296327832 1064622184 /nfs/dbraw/zinc/62/21/84/1064622184.db2.gz ZHHUWLKDOKKVDE-NHCUHLMSSA-N 1 1 460.648 2.584 20 0 JFADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC001292003860 1064623549 /nfs/dbraw/zinc/62/35/49/1064623549.db2.gz DTIIDFDUMNCAMA-NRFANRHFSA-N 1 1 450.649 2.930 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292013009 1064638005 /nfs/dbraw/zinc/63/80/05/1064638005.db2.gz GXICUFBIBFIBDE-YADHBBJMSA-N 1 1 481.645 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCCn1cc[nH+]c1C ZINC001292015163 1064644338 /nfs/dbraw/zinc/64/43/38/1064644338.db2.gz WGGLTFUSCCAQKN-DEOSSOPVSA-N 1 1 473.622 2.566 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019456 1064657753 /nfs/dbraw/zinc/65/77/53/1064657753.db2.gz FEXKIQVJMDXQJW-DLBZAZTESA-N 1 1 452.393 2.667 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC001292019456 1064657759 /nfs/dbraw/zinc/65/77/59/1064657759.db2.gz FEXKIQVJMDXQJW-DLBZAZTESA-N 1 1 452.393 2.667 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001292029780 1064683985 /nfs/dbraw/zinc/68/39/85/1064683985.db2.gz GCFMJMQJNZKUFM-YJBOKZPZSA-N 1 1 493.454 2.529 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030033 1064686005 /nfs/dbraw/zinc/68/60/05/1064686005.db2.gz KKFJPMPWYKEWLK-HKUYNNGSSA-N 1 1 477.654 2.736 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC1CCC(OC)CC1 ZINC001292040467 1064705045 /nfs/dbraw/zinc/70/50/45/1064705045.db2.gz FKJIBFXBRUMPBX-BPOAOHNVSA-N 1 1 476.666 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CC(=O)N(C)CC ZINC001292049025 1064714268 /nfs/dbraw/zinc/71/42/68/1064714268.db2.gz KILLJKTWEVRMGU-UHFFFAOYSA-N 1 1 484.649 2.592 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(C)c(OC)c1 ZINC001292054765 1064721382 /nfs/dbraw/zinc/72/13/82/1064721382.db2.gz IXJUDIHHAOUGGW-NRFANRHFSA-N 1 1 484.645 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292054792 1064722059 /nfs/dbraw/zinc/72/20/59/1064722059.db2.gz JWELJTLFVVVMJP-HXUWFJFHSA-N 1 1 456.639 2.651 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@]1(C)CCCS1 ZINC001292055082 1064723111 /nfs/dbraw/zinc/72/31/11/1064723111.db2.gz MUDPESXFXOQNBY-FDDCHVKYSA-N 1 1 464.680 2.641 20 0 JFADMO C[N@H+](CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)Cc1ccccc1 ZINC001292059018 1064728253 /nfs/dbraw/zinc/72/82/53/1064728253.db2.gz SMBIKFFPYUJYOZ-UHFFFAOYSA-N 1 1 453.564 2.733 20 0 JFADMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)Cc1ccccc1 ZINC001292059018 1064728268 /nfs/dbraw/zinc/72/82/68/1064728268.db2.gz SMBIKFFPYUJYOZ-UHFFFAOYSA-N 1 1 453.564 2.733 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292062485 1064732377 /nfs/dbraw/zinc/73/23/77/1064732377.db2.gz UZPQUJKGMASQLK-UHFFFAOYSA-N 1 1 475.682 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccco1 ZINC001292062646 1064733261 /nfs/dbraw/zinc/73/32/61/1064733261.db2.gz AIUXKJWHFQMPOO-UHFFFAOYSA-N 1 1 471.650 2.833 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292063272 1064736431 /nfs/dbraw/zinc/73/64/31/1064736431.db2.gz QAZYDDIHZPIUKY-LJQANCHMSA-N 1 1 475.638 2.562 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292066079 1064743494 /nfs/dbraw/zinc/74/34/94/1064743494.db2.gz JIVVMJWRBNQYIM-IQGLISFBSA-N 1 1 472.609 2.918 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292093045 1064781330 /nfs/dbraw/zinc/78/13/30/1064781330.db2.gz DDXQGLMSYHMSDN-LEWJYISDSA-N 1 1 485.681 2.663 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2C)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001292097831 1064788908 /nfs/dbraw/zinc/78/89/08/1064788908.db2.gz UENBSXBNGCXMFT-FQEVSTJZSA-N 1 1 468.650 2.793 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292105504 1064799123 /nfs/dbraw/zinc/79/91/23/1064799123.db2.gz MAANNLFOJKFPDM-FQEVSTJZSA-N 1 1 486.640 2.932 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ncn(-c2ccccc2)n1 ZINC001292105637 1064799597 /nfs/dbraw/zinc/79/95/97/1064799597.db2.gz OGXLWYMRNSNLIO-UHFFFAOYSA-N 1 1 479.633 2.746 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001292106024 1064802403 /nfs/dbraw/zinc/80/24/03/1064802403.db2.gz RILKDWNWQNIUPY-UHFFFAOYSA-N 1 1 496.722 2.865 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1nc(C)c(C)s1 ZINC001292108639 1064806273 /nfs/dbraw/zinc/80/62/73/1064806273.db2.gz AAXYYIUFNVBQTO-LJQANCHMSA-N 1 1 489.690 2.867 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(Cl)nc1 ZINC001292108761 1064807007 /nfs/dbraw/zinc/80/70/07/1064807007.db2.gz DSICOKBEBXLDCS-IBGZPJMESA-N 1 1 490.052 2.842 20 0 JFADMO O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001292121034 1064850276 /nfs/dbraw/zinc/85/02/76/1064850276.db2.gz VZXKCHBRHUMCKF-UHFFFAOYSA-N 1 1 453.974 2.880 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001292121560 1064850383 /nfs/dbraw/zinc/85/03/83/1064850383.db2.gz ABTUCHIPRXXMAO-HXUWFJFHSA-N 1 1 497.692 2.886 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292122801 1064859239 /nfs/dbraw/zinc/85/92/39/1064859239.db2.gz XPUSDKLHXMEJQV-KDURUIRLSA-N 1 1 487.693 2.764 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC(=O)NC1CCCCC1 ZINC001292123551 1064862280 /nfs/dbraw/zinc/86/22/80/1064862280.db2.gz GHBAQWOKYOSKEE-SFHVURJKSA-N 1 1 461.655 2.566 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCc1n[nH]c(C)n1 ZINC001292125472 1064869785 /nfs/dbraw/zinc/86/97/85/1064869785.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 1 1 479.633 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCc1nc(C)n[nH]1 ZINC001292125472 1064869795 /nfs/dbraw/zinc/86/97/95/1064869795.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 1 1 479.633 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCc1nc(C)n[nH]1 ZINC001292125472 1064869802 /nfs/dbraw/zinc/86/98/02/1064869802.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 1 1 479.633 2.576 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccsc1 ZINC001292126347 1064873097 /nfs/dbraw/zinc/87/30/97/1064873097.db2.gz NSKHFQSOKLUKGF-QGZVFWFLSA-N 1 1 460.648 2.996 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001292126429 1064875521 /nfs/dbraw/zinc/87/55/21/1064875521.db2.gz PWJUUMMGWVNGET-GOSISDBHSA-N 1 1 481.645 2.654 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001292126430 1064875635 /nfs/dbraw/zinc/87/56/35/1064875635.db2.gz PWJUUMMGWVNGET-SFHVURJKSA-N 1 1 481.645 2.654 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292126462 1064875674 /nfs/dbraw/zinc/87/56/74/1064875674.db2.gz RGPZKZKWWWFLPT-UHFFFAOYSA-N 1 1 489.709 2.760 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccn(CC)c1=O ZINC001292126689 1064876970 /nfs/dbraw/zinc/87/69/70/1064876970.db2.gz SDUWEOPXJQFUFF-LJQANCHMSA-N 1 1 483.661 2.737 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1cccc(C(F)F)c1 ZINC001292134550 1064894698 /nfs/dbraw/zinc/89/46/98/1064894698.db2.gz TZLMJIURJAIGKU-IBGZPJMESA-N 1 1 462.545 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1cccc(C(F)F)c1 ZINC001292134550 1064894706 /nfs/dbraw/zinc/89/47/06/1064894706.db2.gz TZLMJIURJAIGKU-IBGZPJMESA-N 1 1 462.545 2.703 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1c(C)cc(C)cc1C ZINC001292134902 1064897258 /nfs/dbraw/zinc/89/72/58/1064897258.db2.gz YFRSXETUTURJEO-NRFANRHFSA-N 1 1 454.619 2.691 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1c(C)cc(C)cc1C ZINC001292134902 1064897268 /nfs/dbraw/zinc/89/72/68/1064897268.db2.gz YFRSXETUTURJEO-NRFANRHFSA-N 1 1 454.619 2.691 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001292150438 1064927647 /nfs/dbraw/zinc/92/76/47/1064927647.db2.gz BOVQYBIBGOHFPW-GGPKGHCWSA-N 1 1 489.665 2.642 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292150938 1064928874 /nfs/dbraw/zinc/92/88/74/1064928874.db2.gz HMFVTRXIQHPWEB-PKOBYXMFSA-N 1 1 477.654 2.642 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001292151889 1064931112 /nfs/dbraw/zinc/93/11/12/1064931112.db2.gz VPTQMWBRLUMYKY-SJLPKXTDSA-N 1 1 477.654 2.783 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001292154434 1064934649 /nfs/dbraw/zinc/93/46/49/1064934649.db2.gz ZUVGNJRZLLGNBN-YSZBQJHXSA-N 1 1 486.636 2.996 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@](C)(O)CC ZINC001292154527 1064934731 /nfs/dbraw/zinc/93/47/31/1064934731.db2.gz DRMGGMUGDGXZIA-YZIHRLCOSA-N 1 1 468.646 2.926 20 0 JFADMO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC001292158657 1064939189 /nfs/dbraw/zinc/93/91/89/1064939189.db2.gz DJFFNKRGSVOGIB-JOCHJYFZSA-N 1 1 462.602 2.680 20 0 JFADMO C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)c2N1 ZINC001292167528 1064954758 /nfs/dbraw/zinc/95/47/58/1064954758.db2.gz NEHDAMGYFBFGFI-TZMCWYRMSA-N 1 1 457.419 2.917 20 0 JFADMO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170373 1064955937 /nfs/dbraw/zinc/95/59/37/1064955937.db2.gz CELKNNAWRJZEIJ-QUCCMNQESA-N 1 1 496.653 2.806 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)NC(=O)OC(C)(C)C ZINC001292172155 1064958370 /nfs/dbraw/zinc/95/83/70/1064958370.db2.gz JFHVYFAHLLYYCK-XUVXKRRUSA-N 1 1 491.681 2.838 20 0 JFADMO CC[C@@H](Cn1c(C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)Oc1cccc(F)c1 ZINC001292175281 1064965013 /nfs/dbraw/zinc/96/50/13/1064965013.db2.gz QZBIAGIAAPOLHJ-NRFANRHFSA-N 1 1 460.598 2.964 20 0 JFADMO CC[C@@H](Cn1c(C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)Oc1cccc(F)c1 ZINC001292175281 1064965028 /nfs/dbraw/zinc/96/50/28/1064965028.db2.gz QZBIAGIAAPOLHJ-NRFANRHFSA-N 1 1 460.598 2.964 20 0 JFADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292197540 1064989746 /nfs/dbraw/zinc/98/97/46/1064989746.db2.gz GSRGZBSXRHDHIU-KBMIEXCESA-N 1 1 487.649 2.888 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC)[N@@H+]1CCc2ccccc2C1 ZINC001292206710 1064995260 /nfs/dbraw/zinc/99/52/60/1064995260.db2.gz GLVGXIODYVXEMA-KNQAVFIVSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC)[N@H+]1CCc2ccccc2C1 ZINC001292206710 1064995271 /nfs/dbraw/zinc/99/52/71/1064995271.db2.gz GLVGXIODYVXEMA-KNQAVFIVSA-N 1 1 497.669 2.831 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208847 1064998321 /nfs/dbraw/zinc/99/83/21/1064998321.db2.gz GBEDPTIOCZTAHX-ICSRJNTNSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)Oc1ccccc1F ZINC001292208847 1064998331 /nfs/dbraw/zinc/99/83/31/1064998331.db2.gz GBEDPTIOCZTAHX-ICSRJNTNSA-N 1 1 488.608 2.773 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOC)CC1)Oc1cccc(F)c1 ZINC001292225777 1065012965 /nfs/dbraw/zinc/01/29/65/1065012965.db2.gz PODUVIFZXUTQSW-CTNGQTDRSA-N 1 1 461.582 2.937 20 0 JFADMO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001292229797 1065016926 /nfs/dbraw/zinc/01/69/26/1065016926.db2.gz HOJFOSVUIISZTQ-RPWUZVMVSA-N 1 1 468.646 2.655 20 0 JFADMO CC[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292242277 1065024487 /nfs/dbraw/zinc/02/44/87/1065024487.db2.gz TUHIOYWHLIUVRX-DFQSSKMNSA-N 1 1 462.639 2.691 20 0 JFADMO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292243504 1065026118 /nfs/dbraw/zinc/02/61/18/1065026118.db2.gz MSDGVOAYKMICDP-FCHUYYIVSA-N 1 1 499.660 2.726 20 0 JFADMO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)OC ZINC001292249755 1065033251 /nfs/dbraw/zinc/03/32/51/1065033251.db2.gz YWFGGMQBPNGFRV-QHCPKHFHSA-N 1 1 472.682 2.560 20 0 JFADMO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001292267916 1065047451 /nfs/dbraw/zinc/04/74/51/1065047451.db2.gz NUPNXCFUDACGJD-UXHICEINSA-N 1 1 492.690 2.540 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001292273301 1065050835 /nfs/dbraw/zinc/05/08/35/1065050835.db2.gz VLKLJBDHWCOPHY-SFHVURJKSA-N 1 1 464.408 2.780 20 0 JFADMO CCC(O)(CC)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001292273301 1065050847 /nfs/dbraw/zinc/05/08/47/1065050847.db2.gz VLKLJBDHWCOPHY-SFHVURJKSA-N 1 1 464.408 2.780 20 0 JFADMO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001292288375 1065060630 /nfs/dbraw/zinc/06/06/30/1065060630.db2.gz AIZVVKHZHIWUCI-JOCHJYFZSA-N 1 1 490.718 2.713 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](Cc3ccsc3)CC2)O1 ZINC001292300420 1065071890 /nfs/dbraw/zinc/07/18/90/1065071890.db2.gz NKOAUXWZNKSLAA-LRXVAGHRSA-N 1 1 496.703 2.620 20 0 JFADMO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001292304936 1065075272 /nfs/dbraw/zinc/07/52/72/1065075272.db2.gz OGDBIVIOSNNDTQ-ZYLNGJIFSA-N 1 1 460.667 2.957 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(N3C[C@@H](C)[C@@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)O1 ZINC001292314948 1065082393 /nfs/dbraw/zinc/08/23/93/1065082393.db2.gz WLZJQJUXFLVLFK-MASGSYHESA-N 1 1 460.667 2.912 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(N3C[C@@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)O1 ZINC001292314946 1065082422 /nfs/dbraw/zinc/08/24/22/1065082422.db2.gz WLZJQJUXFLVLFK-GUQHISFFSA-N 1 1 460.667 2.912 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCOc1ccc(Cl)cc1Cl ZINC001292343611 1065092319 /nfs/dbraw/zinc/09/23/19/1065092319.db2.gz AXTRBKYNSCVMKT-IBGZPJMESA-N 1 1 458.386 2.592 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353532 1065098051 /nfs/dbraw/zinc/09/80/51/1065098051.db2.gz KUSCOEAYVPSCEF-CYFREDJKSA-N 1 1 458.607 2.795 20 0 JFADMO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001292378080 1065120824 /nfs/dbraw/zinc/12/08/24/1065120824.db2.gz UYWNYDSAHDVXPJ-HKUYNNGSSA-N 1 1 452.669 2.922 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001292380800 1065125150 /nfs/dbraw/zinc/12/51/50/1065125150.db2.gz ZYXZFDQPGBMVKW-VWLOTQADSA-N 1 1 473.618 2.982 20 0 JFADMO CC[C@@]1(C)CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001292380800 1065125154 /nfs/dbraw/zinc/12/51/54/1065125154.db2.gz ZYXZFDQPGBMVKW-VWLOTQADSA-N 1 1 473.618 2.982 20 0 JFADMO CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCS1 ZINC001292393360 1065132166 /nfs/dbraw/zinc/13/21/66/1065132166.db2.gz AGRQEENGVBBEIW-JOCHJYFZSA-N 1 1 493.699 2.527 20 0 JFADMO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC001292415298 1065149124 /nfs/dbraw/zinc/14/91/24/1065149124.db2.gz XSOSPCMCXNGTNF-ZCNNSNEGSA-N 1 1 496.722 2.794 20 0 JFADMO C[C@@H](NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454323 1065176177 /nfs/dbraw/zinc/17/61/77/1065176177.db2.gz MPLFQMIXMDVIEI-IBVKSMDESA-N 1 1 450.583 2.757 20 0 JFADMO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[NH+](C)C)cc1 ZINC001292458441 1065181565 /nfs/dbraw/zinc/18/15/65/1065181565.db2.gz OUFUGNCWNAMPQP-VXKWHMMOSA-N 1 1 468.627 2.829 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(CC)c2)[NH+](C)C)cc1 ZINC001292459154 1065184315 /nfs/dbraw/zinc/18/43/15/1065184315.db2.gz CBONVTDUUZZTDP-GOTSBHOMSA-N 1 1 499.685 2.898 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292472394 1065198464 /nfs/dbraw/zinc/19/84/64/1065198464.db2.gz XFSJFXHDQHGEBQ-IBGZPJMESA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292473727 1065199053 /nfs/dbraw/zinc/19/90/53/1065199053.db2.gz LDMIVXJZLWIWIS-HHJKRLRDSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292473727 1065199059 /nfs/dbraw/zinc/19/90/59/1065199059.db2.gz LDMIVXJZLWIWIS-HHJKRLRDSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001292475793 1065200355 /nfs/dbraw/zinc/20/03/55/1065200355.db2.gz DOEOXKHSDLOMBJ-QFIPXVFZSA-N 1 1 488.702 2.547 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001292479480 1065203568 /nfs/dbraw/zinc/20/35/68/1065203568.db2.gz NPIAIBZYIJJMFW-UGKGYDQZSA-N 1 1 468.646 2.827 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001292486294 1065207860 /nfs/dbraw/zinc/20/78/60/1065207860.db2.gz YHTWRLGHSKFPDO-DCFHFQCYSA-N 1 1 482.673 2.951 20 0 JFADMO CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292488549 1065209797 /nfs/dbraw/zinc/20/97/97/1065209797.db2.gz NLFGHQAJUDOFQL-LVCYWYKZSA-N 1 1 454.619 2.707 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001292495192 1065213085 /nfs/dbraw/zinc/21/30/85/1065213085.db2.gz PUVOAKBWDQUTTE-UHFFFAOYSA-N 1 1 454.619 2.582 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292507168 1065225057 /nfs/dbraw/zinc/22/50/57/1065225057.db2.gz IVUKNNNTRXGTFO-XUZZJYLKSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1 ZINC001292507170 1065225091 /nfs/dbraw/zinc/22/50/91/1065225091.db2.gz IVUKNNNTRXGTFO-ZJSXRUAMSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2C[C@@H](F)COC)cc1 ZINC001292512218 1065229707 /nfs/dbraw/zinc/22/97/07/1065229707.db2.gz DLLYPQNVDQZWSW-JOCHJYFZSA-N 1 1 455.582 2.938 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)n2Cc2nncn2CC)cc1 ZINC001292512341 1065230227 /nfs/dbraw/zinc/23/02/27/1065230227.db2.gz ILBAFNIRRNBDDA-UHFFFAOYSA-N 1 1 493.660 2.548 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)n2Cc2nncn2CC)cc1 ZINC001292512341 1065230237 /nfs/dbraw/zinc/23/02/37/1065230237.db2.gz ILBAFNIRRNBDDA-UHFFFAOYSA-N 1 1 493.660 2.548 20 0 JFADMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2)c1 ZINC001292513708 1065234340 /nfs/dbraw/zinc/23/43/40/1065234340.db2.gz AABBLBNOXYBBAK-XZOQPEGZSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2C[C@H](CC)OC)cc1 ZINC001292513784 1065234631 /nfs/dbraw/zinc/23/46/31/1065234631.db2.gz NKEUQCILOCOIKB-VXKWHMMOSA-N 1 1 454.619 2.675 20 0 JFADMO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)cc1C ZINC001292516438 1065236885 /nfs/dbraw/zinc/23/68/85/1065236885.db2.gz SKDFISNWKACJAQ-DHIUTWEWSA-N 1 1 457.596 2.775 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@H](C)CC)CC3)n2C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC001292518157 1065241351 /nfs/dbraw/zinc/24/13/51/1065241351.db2.gz OBBNZVDKLDWICR-GGAORHGYSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001292518335 1065242278 /nfs/dbraw/zinc/24/22/78/1065242278.db2.gz QIOSXPLTLZXXTF-UHFFFAOYSA-N 1 1 481.689 2.982 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001292519061 1065243962 /nfs/dbraw/zinc/24/39/62/1065243962.db2.gz UHDGDXGNFHQKTO-IBGZPJMESA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001292519061 1065243969 /nfs/dbraw/zinc/24/39/69/1065243969.db2.gz UHDGDXGNFHQKTO-IBGZPJMESA-N 1 1 454.619 2.675 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001292520258 1065244555 /nfs/dbraw/zinc/24/45/55/1065244555.db2.gz DHGHNCWZWHMQHS-GOSISDBHSA-N 1 1 466.552 2.913 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001292520258 1065244566 /nfs/dbraw/zinc/24/45/66/1065244566.db2.gz DHGHNCWZWHMQHS-GOSISDBHSA-N 1 1 466.552 2.913 20 0 JFADMO O=C(NC[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523694 1065248213 /nfs/dbraw/zinc/24/82/13/1065248213.db2.gz JMDRWAJZGOZSDB-CPJSRVTESA-N 1 1 454.546 2.823 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292524371 1065249496 /nfs/dbraw/zinc/24/94/96/1065249496.db2.gz DUGXMYMSDWKFTC-NRFANRHFSA-N 1 1 467.618 2.711 20 0 JFADMO O=C(CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC001292541313 1065263478 /nfs/dbraw/zinc/26/34/78/1065263478.db2.gz VKTMVVAEWKHOCR-UHFFFAOYSA-N 1 1 450.543 2.549 20 0 JFADMO CCc1nnc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292542990 1065264732 /nfs/dbraw/zinc/26/47/32/1065264732.db2.gz ZNQDIGKAZDVBEZ-GOTSBHOMSA-N 1 1 468.646 2.924 20 0 JFADMO CCc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001292545930 1065266221 /nfs/dbraw/zinc/26/62/21/1065266221.db2.gz MJYVVPCIJYFYEC-JOCHJYFZSA-N 1 1 454.619 2.581 20 0 JFADMO CCc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001292545932 1065266253 /nfs/dbraw/zinc/26/62/53/1065266253.db2.gz MJYVVPCIJYFYEC-QFIPXVFZSA-N 1 1 454.619 2.581 20 0 JFADMO CCc1cccc2c(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[N@H+](CC)[C@H](C)C3)c[nH]c21 ZINC001292567315 1065278440 /nfs/dbraw/zinc/27/84/40/1065278440.db2.gz ICFFGEAUBZCYPD-QZTJIDSGSA-N 1 1 487.674 2.705 20 0 JFADMO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292575447 1065284912 /nfs/dbraw/zinc/28/49/12/1065284912.db2.gz AMPQOFXIWLUIKE-SFHVURJKSA-N 1 1 478.601 2.513 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292583482 1065299423 /nfs/dbraw/zinc/29/94/23/1065299423.db2.gz DFLSVHFKIUNHBH-UHFFFAOYSA-N 1 1 467.618 2.900 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)Cc2cnn(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001292583482 1065299431 /nfs/dbraw/zinc/29/94/31/1065299431.db2.gz DFLSVHFKIUNHBH-UHFFFAOYSA-N 1 1 467.618 2.900 20 0 JFADMO Cc1cnn(-c2cc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3)c(N)cc2F)c1 ZINC001292589868 1065306382 /nfs/dbraw/zinc/30/63/82/1065306382.db2.gz HKFGAFXUEJQXOF-KRWDZBQOSA-N 1 1 450.518 2.852 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590802 1065308500 /nfs/dbraw/zinc/30/85/00/1065308500.db2.gz VXMGZXDVRATRON-UYAOXDASSA-N 1 1 454.619 2.865 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)N(C)C ZINC001292598293 1065319105 /nfs/dbraw/zinc/31/91/05/1065319105.db2.gz IKPKBRQXGPTUHI-OYRHEFFESA-N 1 1 498.672 2.833 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292599671 1065320775 /nfs/dbraw/zinc/32/07/75/1065320775.db2.gz YLPVLZSZLWZBNG-UHFFFAOYSA-N 1 1 498.672 2.977 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(N(C)C(C)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292599671 1065320783 /nfs/dbraw/zinc/32/07/83/1065320783.db2.gz YLPVLZSZLWZBNG-UHFFFAOYSA-N 1 1 498.672 2.977 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292609108 1065335087 /nfs/dbraw/zinc/33/50/87/1065335087.db2.gz IQWNKEDMJDHGOS-HSZRJFAPSA-N 1 1 498.672 2.835 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCC[NH+]1CCOCC1 ZINC001292615674 1065349196 /nfs/dbraw/zinc/34/91/96/1065349196.db2.gz QJWBUSXZQYUKCF-UHFFFAOYSA-N 1 1 496.578 2.826 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292618405 1065353623 /nfs/dbraw/zinc/35/36/23/1065353623.db2.gz AQJPRJYQWFLFGD-NRFANRHFSA-N 1 1 456.635 2.671 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292619807 1065356630 /nfs/dbraw/zinc/35/66/30/1065356630.db2.gz PMQZGPZAVWCQLO-AKFKNWHVSA-N 1 1 484.689 2.900 20 0 JFADMO CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC001292626434 1065363341 /nfs/dbraw/zinc/36/33/41/1065363341.db2.gz JFJVTAZSJZYCNF-LJQANCHMSA-N 1 1 473.691 2.871 20 0 JFADMO CCc1cnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001292626870 1065364476 /nfs/dbraw/zinc/36/44/76/1065364476.db2.gz UUBPVZSYPDNOEG-LJQANCHMSA-N 1 1 494.731 2.998 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC001292635089 1065373413 /nfs/dbraw/zinc/37/34/13/1065373413.db2.gz HEZOBBMVFFZDCZ-OAQYLSRUSA-N 1 1 454.571 2.920 20 0 JFADMO CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCn2cc[nH+]c2C)s1 ZINC001292641282 1065376961 /nfs/dbraw/zinc/37/69/61/1065376961.db2.gz HCDIVIRGKGBOKJ-KRWDZBQOSA-N 1 1 477.660 2.821 20 0 JFADMO COc1ccc(-c2cc(C(=O)N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)nn2C)cc1OC ZINC001292663515 1065398316 /nfs/dbraw/zinc/39/83/16/1065398316.db2.gz YDODNQRWRLIULZ-KDURUIRLSA-N 1 1 455.603 2.735 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001292676154 1065416144 /nfs/dbraw/zinc/41/61/44/1065416144.db2.gz CJGHYZUHXYMKQI-FDDCHVKYSA-N 1 1 472.663 2.731 20 0 JFADMO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001292676155 1065416155 /nfs/dbraw/zinc/41/61/55/1065416155.db2.gz CJGHYZUHXYMKQI-JPYJTQIMSA-N 1 1 472.663 2.731 20 0 JFADMO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001292676156 1065416166 /nfs/dbraw/zinc/41/61/66/1065416166.db2.gz CJGHYZUHXYMKQI-MBSDFSHPSA-N 1 1 472.663 2.731 20 0 JFADMO CCc1nc(C)c(Cn2c(CC)nnc2N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)o1 ZINC001292688674 1065433948 /nfs/dbraw/zinc/43/39/48/1065433948.db2.gz QVMLBFOZFFRJKV-UHFFFAOYSA-N 1 1 457.623 2.518 20 0 JFADMO CCc1nc(CCn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cs1 ZINC001292710065 1065465063 /nfs/dbraw/zinc/46/50/63/1065465063.db2.gz IQQWCVPNRVFUTF-LJQANCHMSA-N 1 1 462.664 2.981 20 0 JFADMO CCc1nc(CCn2c(C3CC3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cs1 ZINC001292710389 1065465771 /nfs/dbraw/zinc/46/57/71/1065465771.db2.gz SOEDFBNSGOSIFC-UHFFFAOYSA-N 1 1 459.664 2.798 20 0 JFADMO CCc1nc(CCn2c(C3CC3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cs1 ZINC001292710389 1065465778 /nfs/dbraw/zinc/46/57/78/1065465778.db2.gz SOEDFBNSGOSIFC-UHFFFAOYSA-N 1 1 459.664 2.798 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3cnccn3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001292728519 1065489540 /nfs/dbraw/zinc/48/95/40/1065489540.db2.gz ICDJZDHBCNQKTR-QGZVFWFLSA-N 1 1 456.620 2.891 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292729549 1065490896 /nfs/dbraw/zinc/49/08/96/1065490896.db2.gz UCGVUAOSCKLFBZ-QZTJIDSGSA-N 1 1 480.704 2.956 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001292761842 1065518609 /nfs/dbraw/zinc/51/86/09/1065518609.db2.gz DBFIYFVNXUYZOM-QFIPXVFZSA-N 1 1 473.666 2.973 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001292761842 1065518619 /nfs/dbraw/zinc/51/86/19/1065518619.db2.gz DBFIYFVNXUYZOM-QFIPXVFZSA-N 1 1 473.666 2.973 20 0 JFADMO CCc1nn(C)c(CC)c1Cn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001292762848 1065519789 /nfs/dbraw/zinc/51/97/89/1065519789.db2.gz WYWYRQUZYONCGA-GOSISDBHSA-N 1 1 454.623 2.727 20 0 JFADMO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001292780353 1065539517 /nfs/dbraw/zinc/53/95/17/1065539517.db2.gz BXRQUOGTLVXTNA-MSOLQXFVSA-N 1 1 452.607 2.536 20 0 JFADMO CCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001292813704 1065564227 /nfs/dbraw/zinc/56/42/27/1065564227.db2.gz OFFCYBBDGIMSTQ-RTWAWAEBSA-N 1 1 462.589 2.907 20 0 JFADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC001292830260 1065568874 /nfs/dbraw/zinc/56/88/74/1065568874.db2.gz WAJAWDZBQMYCAM-UHFFFAOYSA-N 1 1 456.534 2.625 20 0 JFADMO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 ZINC001292864526 1065579308 /nfs/dbraw/zinc/57/93/08/1065579308.db2.gz QSKIYKHYJBSDFM-HBMCJLEFSA-N 1 1 456.635 2.921 20 0 JFADMO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCN(c2ccccc2OC)C1 ZINC001292864526 1065579321 /nfs/dbraw/zinc/57/93/21/1065579321.db2.gz QSKIYKHYJBSDFM-HBMCJLEFSA-N 1 1 456.635 2.921 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292876727 1065582702 /nfs/dbraw/zinc/58/27/02/1065582702.db2.gz VCSGZMJWWDKDSX-UHFFFAOYSA-N 1 1 452.607 2.542 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292876727 1065582713 /nfs/dbraw/zinc/58/27/13/1065582713.db2.gz VCSGZMJWWDKDSX-UHFFFAOYSA-N 1 1 452.607 2.542 20 0 JFADMO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292876727 1065582723 /nfs/dbraw/zinc/58/27/23/1065582723.db2.gz VCSGZMJWWDKDSX-UHFFFAOYSA-N 1 1 452.607 2.542 20 0 JFADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)oc1C ZINC001292880560 1065584056 /nfs/dbraw/zinc/58/40/56/1065584056.db2.gz JNOKPABHPLAGDH-YADARESESA-N 1 1 462.591 2.646 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001292892694 1065590865 /nfs/dbraw/zinc/59/08/65/1065590865.db2.gz GNNPCBHBBQTVQB-WWPVKYPJSA-N 1 1 453.635 2.664 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893219 1065593054 /nfs/dbraw/zinc/59/30/54/1065593054.db2.gz MKZGMOZFCNPVTQ-SFYKDHMMSA-N 1 1 472.609 2.826 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893428 1065594273 /nfs/dbraw/zinc/59/42/73/1065594273.db2.gz NVGYHGALKQHTGZ-JTHBVZDNSA-N 1 1 468.646 2.915 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893542 1065594870 /nfs/dbraw/zinc/59/48/70/1065594870.db2.gz PDQQFXBGXFRFIK-XLIONFOSSA-N 1 1 494.562 2.819 20 0 JFADMO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292911808 1065602088 /nfs/dbraw/zinc/60/20/88/1065602088.db2.gz MKKZYISGMWHTDC-SCTDSRPQSA-N 1 1 473.618 2.799 20 0 JFADMO CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292913053 1065603461 /nfs/dbraw/zinc/60/34/61/1065603461.db2.gz TXXLVDFXJOUUAN-UHFFFAOYSA-N 1 1 452.599 2.576 20 0 JFADMO CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001292920880 1065606592 /nfs/dbraw/zinc/60/65/92/1065606592.db2.gz QKQATHSLNYRVMV-RQWLHQTBSA-N 1 1 456.631 2.574 20 0 JFADMO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001292922260 1065608044 /nfs/dbraw/zinc/60/80/44/1065608044.db2.gz BKHNMUMPLVUWST-PXNSSMCTSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001292922260 1065608048 /nfs/dbraw/zinc/60/80/48/1065608048.db2.gz BKHNMUMPLVUWST-PXNSSMCTSA-N 1 1 494.562 2.614 20 0 JFADMO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292924618 1065616838 /nfs/dbraw/zinc/61/68/38/1065616838.db2.gz YZBFIOVLDMDKTH-JOCHJYFZSA-N 1 1 473.710 2.589 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001292925349 1065618368 /nfs/dbraw/zinc/61/83/68/1065618368.db2.gz VAMPCPUZSHSFLV-UHFFFAOYSA-N 1 1 476.507 2.673 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292925343 1065618426 /nfs/dbraw/zinc/61/84/26/1065618426.db2.gz UVLUANPJXYVYSU-UHFFFAOYSA-N 1 1 499.679 2.847 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292925343 1065618434 /nfs/dbraw/zinc/61/84/34/1065618434.db2.gz UVLUANPJXYVYSU-UHFFFAOYSA-N 1 1 499.679 2.847 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292925343 1065618439 /nfs/dbraw/zinc/61/84/39/1065618439.db2.gz UVLUANPJXYVYSU-UHFFFAOYSA-N 1 1 499.679 2.847 20 0 JFADMO CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292929704 1065619859 /nfs/dbraw/zinc/61/98/59/1065619859.db2.gz NOJJZAQKTCBBAQ-NRFANRHFSA-N 1 1 460.589 2.644 20 0 JFADMO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292932998 1065622704 /nfs/dbraw/zinc/62/27/04/1065622704.db2.gz NSXBZNQFAMODST-LJQANCHMSA-N 1 1 464.655 2.961 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001292951594 1065631415 /nfs/dbraw/zinc/63/14/15/1065631415.db2.gz ITDJBVSTMBZHOZ-UHFFFAOYSA-N 1 1 490.052 2.739 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H](C)c1nccs1 ZINC001292951854 1065632327 /nfs/dbraw/zinc/63/23/27/1065632327.db2.gz KWADALMMWPQNKP-GOSISDBHSA-N 1 1 459.664 2.871 20 0 JFADMO CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292961062 1065641156 /nfs/dbraw/zinc/64/11/56/1065641156.db2.gz RUIMDNXBDGXUHN-JOCHJYFZSA-N 1 1 470.666 2.513 20 0 JFADMO CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001292961354 1065642115 /nfs/dbraw/zinc/64/21/15/1065642115.db2.gz YJDPPYXVGMCZSB-OYRHEFFESA-N 1 1 460.667 2.959 20 0 JFADMO CCc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292961390 1065642883 /nfs/dbraw/zinc/64/28/83/1065642883.db2.gz ZGPGOSIGECEEKQ-MRXNPFEDSA-N 1 1 451.518 2.657 20 0 JFADMO CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292962767 1065645228 /nfs/dbraw/zinc/64/52/28/1065645228.db2.gz IZLTVUMUSJAWKW-RTBURBONSA-N 1 1 460.589 2.908 20 0 JFADMO C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CC1 ZINC001292966705 1065646615 /nfs/dbraw/zinc/64/66/15/1065646615.db2.gz OOQWKICXLASTER-UHFFFAOYSA-N 1 1 456.562 2.847 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001292977355 1065656826 /nfs/dbraw/zinc/65/68/26/1065656826.db2.gz DQFIGBMQHJQVIJ-UHFFFAOYSA-N 1 1 481.689 2.821 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292978793 1065659899 /nfs/dbraw/zinc/65/98/99/1065659899.db2.gz XIMLXAVBIVBWDY-LJQANCHMSA-N 1 1 487.718 2.883 20 0 JFADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292979121 1065660443 /nfs/dbraw/zinc/66/04/43/1065660443.db2.gz LSECOMHBMIDPDJ-UHFFFAOYSA-N 1 1 453.635 2.842 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001292980743 1065664524 /nfs/dbraw/zinc/66/45/24/1065664524.db2.gz YXNICFCRISVWQR-RTWAWAEBSA-N 1 1 473.597 2.617 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001292984852 1065667947 /nfs/dbraw/zinc/66/79/47/1065667947.db2.gz AYRBZJCVBFEUAC-OXJNMPFZSA-N 1 1 466.677 2.503 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001292984855 1065667993 /nfs/dbraw/zinc/66/79/93/1065667993.db2.gz AYRBZJCVBFEUAC-OXQOHEQNSA-N 1 1 466.677 2.503 20 0 JFADMO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292991479 1065678515 /nfs/dbraw/zinc/67/85/15/1065678515.db2.gz MSFKYEVACUDUQF-GOSISDBHSA-N 1 1 464.014 2.689 20 0 JFADMO Cc1cc(C(C)(C)C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)ccc1Br ZINC001293002178 1065686448 /nfs/dbraw/zinc/68/64/48/1065686448.db2.gz DRJXOQRAYDFIPZ-UHFFFAOYSA-N 1 1 451.409 2.547 20 0 JFADMO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293017413 1065694725 /nfs/dbraw/zinc/69/47/25/1065694725.db2.gz MTDZGCIWMFMAIZ-QGZVFWFLSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293017413 1065694735 /nfs/dbraw/zinc/69/47/35/1065694735.db2.gz MTDZGCIWMFMAIZ-QGZVFWFLSA-N 1 1 476.025 2.855 20 0 JFADMO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001293027332 1065699736 /nfs/dbraw/zinc/69/97/36/1065699736.db2.gz KUAMWICWYKFPGO-FQEVSTJZSA-N 1 1 488.702 2.785 20 0 JFADMO CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293044508 1065709436 /nfs/dbraw/zinc/70/94/36/1065709436.db2.gz KWPKSZNKTJZGGE-VXKWHMMOSA-N 1 1 453.635 2.864 20 0 JFADMO COC(=O)COc1c(C)cc(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1C ZINC001293065851 1065717094 /nfs/dbraw/zinc/71/70/94/1065717094.db2.gz NGDREJQPRDUHSR-UHFFFAOYSA-N 1 1 453.583 2.745 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(F)c(COC)c1 ZINC001293066331 1065717543 /nfs/dbraw/zinc/71/75/43/1065717543.db2.gz ICWTWLRPLUVYKM-UHFFFAOYSA-N 1 1 460.598 2.555 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1Cc1ccc(F)c(COC)c1 ZINC001293066331 1065717555 /nfs/dbraw/zinc/71/75/55/1065717555.db2.gz ICWTWLRPLUVYKM-UHFFFAOYSA-N 1 1 460.598 2.555 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCc1ccc(OC)c(OC)c1 ZINC001293070172 1065723375 /nfs/dbraw/zinc/72/33/75/1065723375.db2.gz CMOQRBJLBODORS-UHFFFAOYSA-N 1 1 453.591 2.546 20 0 JFADMO C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)[C@H]1CCSC1 ZINC001293074761 1065726735 /nfs/dbraw/zinc/72/67/35/1065726735.db2.gz OTDMAUIDIXPOMS-GOTSBHOMSA-N 1 1 455.599 2.875 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001293081136 1065730130 /nfs/dbraw/zinc/73/01/30/1065730130.db2.gz FHZDNCLZUULHCY-GOSISDBHSA-N 1 1 492.043 2.621 20 0 JFADMO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293083205 1065733637 /nfs/dbraw/zinc/73/36/37/1065733637.db2.gz KEOAYUPOLZUQFP-RBBKRZOGSA-N 1 1 454.619 2.579 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293093734 1065742499 /nfs/dbraw/zinc/74/24/99/1065742499.db2.gz IXLNUMQSLRGZNJ-IRLDBZIGSA-N 1 1 456.635 2.579 20 0 JFADMO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001293110917 1065755839 /nfs/dbraw/zinc/75/58/39/1065755839.db2.gz HWKPDBKIVGHDDE-KRWDZBQOSA-N 1 1 481.476 2.895 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293115958 1065762107 /nfs/dbraw/zinc/76/21/07/1065762107.db2.gz IHQBRHNNZNGNTA-ZLNRFVROSA-N 1 1 473.710 2.587 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001293118902 1065766435 /nfs/dbraw/zinc/76/64/35/1065766435.db2.gz FYKKGNZVMFEZBE-ZRBLBEILSA-N 1 1 473.710 2.732 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293119542 1065767201 /nfs/dbraw/zinc/76/72/01/1065767201.db2.gz KNGUFWYQMXPUKU-UHFFFAOYSA-N 1 1 481.689 2.865 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001293123092 1065775694 /nfs/dbraw/zinc/77/56/94/1065775694.db2.gz DVUPDQPWEVJQNY-HXUWFJFHSA-N 1 1 486.665 2.913 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001293129410 1065779999 /nfs/dbraw/zinc/77/99/99/1065779999.db2.gz YTTQHJLWRWIRIJ-GOSISDBHSA-N 1 1 454.591 2.580 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130591 1065781859 /nfs/dbraw/zinc/78/18/59/1065781859.db2.gz INFVBFCJPIUAEV-QHCPKHFHSA-N 1 1 458.626 2.762 20 0 JFADMO CCc1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293139411 1065790108 /nfs/dbraw/zinc/79/01/08/1065790108.db2.gz RPZXKEPDZJRNQF-GOSISDBHSA-N 1 1 495.719 2.771 20 0 JFADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccccc1Oc1cccc(F)c1 ZINC001293145786 1065792326 /nfs/dbraw/zinc/79/23/26/1065792326.db2.gz UIWCDMKOTOEMRX-QHCPKHFHSA-N 1 1 455.530 2.948 20 0 JFADMO CCc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001293199184 1065826728 /nfs/dbraw/zinc/82/67/28/1065826728.db2.gz VGFZLRWAUIJGMS-SFHVURJKSA-N 1 1 478.663 2.646 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@H+](CC)C(C)C)CC2)n1 ZINC001293207041 1065833755 /nfs/dbraw/zinc/83/37/55/1065833755.db2.gz FPNMUXBJMAKTPI-GOSISDBHSA-N 1 1 462.668 2.643 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(Cc4ccncc4)n3CC[N@H+](C)[C@H](C)CC)CC2)n1 ZINC001293208514 1065839828 /nfs/dbraw/zinc/83/98/28/1065839828.db2.gz PLYKATOXRIZOQO-GOSISDBHSA-N 1 1 469.663 2.735 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001293208578 1065839846 /nfs/dbraw/zinc/83/98/46/1065839846.db2.gz NGDDBWXWLSEJNX-GOSISDBHSA-N 1 1 476.695 2.673 20 0 JFADMO Cc1c(Br)ccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1N ZINC001293215724 1065852668 /nfs/dbraw/zinc/85/26/68/1065852668.db2.gz UPAVFJUIFWVUFW-QGZVFWFLSA-N 1 1 459.388 2.967 20 0 JFADMO Cc1c(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)sc2nc(C)nc(N)c12 ZINC001293215779 1065853184 /nfs/dbraw/zinc/85/31/84/1065853184.db2.gz WBGIYPKRJUHLOQ-KRWDZBQOSA-N 1 1 452.584 2.518 20 0 JFADMO CC1(C)C[N@H+](C2(CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001293218300 1065861955 /nfs/dbraw/zinc/86/19/55/1065861955.db2.gz CMWNXWIGPDLGQF-UHFFFAOYSA-N 1 1 458.024 2.548 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001293219358 1065866030 /nfs/dbraw/zinc/86/60/30/1065866030.db2.gz RFRJEIAYPAPQAP-HLAWJBBLSA-N 1 1 462.639 2.514 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001293219355 1065866108 /nfs/dbraw/zinc/86/61/08/1065866108.db2.gz RFRJEIAYPAPQAP-CEWLAPEOSA-N 1 1 462.639 2.514 20 0 JFADMO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC001293220039 1065868857 /nfs/dbraw/zinc/86/88/57/1065868857.db2.gz QSTOCENPYLQVLA-IBGZPJMESA-N 1 1 453.624 2.942 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001293220122 1065869300 /nfs/dbraw/zinc/86/93/00/1065869300.db2.gz QUQLHMFGJSUKJD-RXVVDRJESA-N 1 1 474.053 2.587 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@H+]1CC ZINC001293220977 1065873656 /nfs/dbraw/zinc/87/36/56/1065873656.db2.gz VYOYWCSWQZONLS-ZWKOTPCHSA-N 1 1 461.408 2.907 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293227010 1065879976 /nfs/dbraw/zinc/87/99/76/1065879976.db2.gz DOWMLILRQGOGEN-REWPJTCUSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OCCC(C)C)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293227010 1065879991 /nfs/dbraw/zinc/87/99/91/1065879991.db2.gz DOWMLILRQGOGEN-REWPJTCUSA-N 1 1 484.645 2.806 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293238586 1065894457 /nfs/dbraw/zinc/89/44/57/1065894457.db2.gz GPCXKKLYHBWQLQ-ZVDOUQERSA-N 1 1 453.635 2.735 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293240119 1065896921 /nfs/dbraw/zinc/89/69/21/1065896921.db2.gz WUDTUWDMOBUOOS-IRLDBZIGSA-N 1 1 468.646 2.960 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001293243757 1065907155 /nfs/dbraw/zinc/90/71/55/1065907155.db2.gz BEHZHFDYCCXARM-AQNXPRMDSA-N 1 1 489.665 2.797 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCCCn1cc[nH+]c1C ZINC001293246309 1065911250 /nfs/dbraw/zinc/91/12/50/1065911250.db2.gz ILGWITDHPFZOFO-OAQYLSRUSA-N 1 1 451.575 2.866 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293254545 1065918489 /nfs/dbraw/zinc/91/84/89/1065918489.db2.gz ZCGDQCUDSNIEND-RBUKOAKNSA-N 1 1 454.623 2.576 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255472 1065920002 /nfs/dbraw/zinc/92/00/02/1065920002.db2.gz VYRJYCAGWUUTCC-YTQUADARSA-N 1 1 458.603 2.539 20 0 JFADMO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC001293255472 1065920012 /nfs/dbraw/zinc/92/00/12/1065920012.db2.gz VYRJYCAGWUUTCC-YTQUADARSA-N 1 1 458.603 2.539 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293257611 1065921717 /nfs/dbraw/zinc/92/17/17/1065921717.db2.gz MSDFPRHCACYJTN-SYYKKAFVSA-N 1 1 475.659 2.820 20 0 JFADMO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293298896 1065939684 /nfs/dbraw/zinc/93/96/84/1065939684.db2.gz DCPDTLPFWHZHQP-DNRQZRRGSA-N 1 1 462.683 2.970 20 0 JFADMO CC[C@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+](C)C1CCCC1 ZINC001293334463 1065953395 /nfs/dbraw/zinc/95/33/95/1065953395.db2.gz ZYVAJILTDIAMOP-ROUUACIJSA-N 1 1 452.669 2.922 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)Cn2nc(Br)c(Br)n2)[nH+]1 ZINC001293342926 1065956780 /nfs/dbraw/zinc/95/67/80/1065956780.db2.gz WIECSPXOYYGVJB-NSHDSACASA-N 1 1 458.158 2.610 20 0 JFADMO CC[C@H]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CCOC)CC1 ZINC001293355518 1065962385 /nfs/dbraw/zinc/96/23/85/1065962385.db2.gz GHQCCYBSFKGCAH-OALUTQOASA-N 1 1 460.648 2.864 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001293359324 1065963953 /nfs/dbraw/zinc/96/39/53/1065963953.db2.gz MWFLJYMKKOPOBT-HXUWFJFHSA-N 1 1 496.660 2.885 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293360740 1065964581 /nfs/dbraw/zinc/96/45/81/1065964581.db2.gz SUAXIWOHWSNNLY-NRFANRHFSA-N 1 1 496.660 2.885 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001293362649 1065966272 /nfs/dbraw/zinc/96/62/72/1065966272.db2.gz FTEIIZIMYFXRTI-NVXWUHKLSA-N 1 1 478.439 2.967 20 0 JFADMO O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001293362923 1065966742 /nfs/dbraw/zinc/96/67/42/1065966742.db2.gz PQFVIOHBZLLFBH-LJQANCHMSA-N 1 1 450.377 2.516 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293364271 1065968506 /nfs/dbraw/zinc/96/85/06/1065968506.db2.gz MZHFQYHQBDRERX-FUHWJXTLSA-N 1 1 492.466 2.978 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293364644 1065969461 /nfs/dbraw/zinc/96/94/61/1065969461.db2.gz GQXNNRQMHXPTPT-MOPGFXCFSA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001293366266 1065971718 /nfs/dbraw/zinc/97/17/18/1065971718.db2.gz YQRSZMTVRSBTFE-FQEVSTJZSA-N 1 1 458.607 2.842 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373096 1065976944 /nfs/dbraw/zinc/97/69/44/1065976944.db2.gz PCUDFOZYOHKRLY-PZJWPPBQSA-N 1 1 473.666 2.898 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373764 1065978736 /nfs/dbraw/zinc/97/87/36/1065978736.db2.gz ROMXRLFLFFNGST-QFIPXVFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001293373837 1065978853 /nfs/dbraw/zinc/97/88/53/1065978853.db2.gz RZDSIDBTYWITDO-VAMGGRTRSA-N 1 1 489.665 2.987 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001293373761 1065978893 /nfs/dbraw/zinc/97/88/93/1065978893.db2.gz RNHFUOVZHGPYPP-JOCHJYFZSA-N 1 1 470.666 2.886 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374259 1065980271 /nfs/dbraw/zinc/98/02/71/1065980271.db2.gz VLZSQFZDCRBDIC-DHIUTWEWSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293374895 1065980707 /nfs/dbraw/zinc/98/07/07/1065980707.db2.gz YNUFCDPAXOEUFF-NJYVYQBISA-N 1 1 482.695 2.550 20 0 JFADMO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001293378574 1065982659 /nfs/dbraw/zinc/98/26/59/1065982659.db2.gz TYGGRCIIDFNEBG-UXHICEINSA-N 1 1 455.607 2.789 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293379859 1065984626 /nfs/dbraw/zinc/98/46/26/1065984626.db2.gz VBFLACCMIASPMA-ATIYNZHBSA-N 1 1 490.693 2.936 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001293380521 1065984933 /nfs/dbraw/zinc/98/49/33/1065984933.db2.gz ZMZXFFQLGGLMSN-PWRODBHTSA-N 1 1 475.682 2.923 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001293457086 1066013883 /nfs/dbraw/zinc/01/38/83/1066013883.db2.gz SHRCZJWQDJOXJV-RQTOMXEWSA-N 1 1 462.683 2.829 20 0 JFADMO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001293462352 1066015426 /nfs/dbraw/zinc/01/54/26/1066015426.db2.gz JVVKJERGVNATJH-HXUWFJFHSA-N 1 1 488.702 2.859 20 0 JFADMO COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)c2)cc1 ZINC001293475008 1066018508 /nfs/dbraw/zinc/01/85/08/1066018508.db2.gz KPZNLMJEDQPNDH-GOSISDBHSA-N 1 1 454.552 2.880 20 0 JFADMO CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001293485629 1066023012 /nfs/dbraw/zinc/02/30/12/1066023012.db2.gz SKCUZTVYDLSJJC-UNMCSNQZSA-N 1 1 496.722 2.750 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC[N@H+]1CCOC ZINC001293505557 1066029080 /nfs/dbraw/zinc/02/90/80/1066029080.db2.gz HCSCKEYXQOXZIR-IEBWSBKVSA-N 1 1 475.663 2.630 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC[N@H+]1CCOC ZINC001293507151 1066031387 /nfs/dbraw/zinc/03/13/87/1066031387.db2.gz IARFPSBEVRMLOI-OAQYLSRUSA-N 1 1 465.602 2.560 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2c(Cl)cccc2OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293507751 1066031721 /nfs/dbraw/zinc/03/17/21/1066031721.db2.gz JJFMXMHJSDGBTM-PXNSSMCTSA-N 1 1 491.036 2.674 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293508579 1066032800 /nfs/dbraw/zinc/03/28/00/1066032800.db2.gz LBBPUIXJJPMVQI-UGKGYDQZSA-N 1 1 488.608 2.572 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)C[C@H]1[NH+]1CCOCC1 ZINC001293510122 1066035162 /nfs/dbraw/zinc/03/51/62/1066035162.db2.gz PUIZLDODCCGPKD-RTBURBONSA-N 1 1 460.648 2.576 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC[N@H+]1CCOC ZINC001293510531 1066035775 /nfs/dbraw/zinc/03/57/75/1066035775.db2.gz SGPRYQYLDFEJAU-IBGZPJMESA-N 1 1 476.572 2.582 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001293511407 1066037421 /nfs/dbraw/zinc/03/74/21/1066037421.db2.gz WJFHAMDSQTVPQZ-JQVVWYNYSA-N 1 1 472.609 2.906 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001293511508 1066037867 /nfs/dbraw/zinc/03/78/67/1066037867.db2.gz WRSJLMVENCOANL-QHCPKHFHSA-N 1 1 483.661 2.790 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001293516397 1066039811 /nfs/dbraw/zinc/03/98/11/1066039811.db2.gz AKXYYWXWFQZSNY-AEFFLSMTSA-N 1 1 480.455 2.782 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@H+]1CCOC ZINC001293523003 1066044500 /nfs/dbraw/zinc/04/45/00/1066044500.db2.gz HJNRVRJTSRXAKQ-PKOBYXMFSA-N 1 1 489.024 2.795 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC(F)(F)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293529309 1066048759 /nfs/dbraw/zinc/04/87/59/1066048759.db2.gz IGZSSYMJJHVXKZ-NMLBUPMWSA-N 1 1 471.593 2.985 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)O)CC[N@H+]1CCOC ZINC001293537718 1066055116 /nfs/dbraw/zinc/05/51/16/1066055116.db2.gz RJDRUGGQARFJPD-LJQANCHMSA-N 1 1 453.591 2.653 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001293537868 1066055399 /nfs/dbraw/zinc/05/53/99/1066055399.db2.gz TULCEGJKXFXGTP-WMZOPIPTSA-N 1 1 481.439 2.772 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](COC)OC)C[C@@H]1[NH+]1CCOCC1 ZINC001293549465 1066065686 /nfs/dbraw/zinc/06/56/86/1066065686.db2.gz LSUCGCKUWLSCEG-QMMLZNLJSA-N 1 1 464.010 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293549752 1066065725 /nfs/dbraw/zinc/06/57/25/1066065725.db2.gz QRGBNJBYKZWGED-FXAWDEMLSA-N 1 1 461.010 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293551047 1066066943 /nfs/dbraw/zinc/06/69/43/1066066943.db2.gz DPNAVIYMHAKLAY-RTWAWAEBSA-N 1 1 464.010 2.951 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC[N@H+]1CCOC ZINC001293552148 1066067232 /nfs/dbraw/zinc/06/72/32/1066067232.db2.gz KQRYNWWTRYDWMP-IBGZPJMESA-N 1 1 494.036 2.696 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293552402 1066067469 /nfs/dbraw/zinc/06/74/69/1066067469.db2.gz NTPXMJBHLDDZMZ-MSOLQXFVSA-N 1 1 467.973 2.700 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293552404 1066067585 /nfs/dbraw/zinc/06/75/85/1066067585.db2.gz NTPXMJBHLDDZMZ-ROUUACIJSA-N 1 1 467.973 2.700 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553376 1066067853 /nfs/dbraw/zinc/06/78/53/1066067853.db2.gz DKWIWNWJXPSHMS-PZJWPPBQSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293556054 1066070133 /nfs/dbraw/zinc/07/01/33/1066070133.db2.gz GGAXXHGGEMZQCN-KNQAVFIVSA-N 1 1 484.645 2.663 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)C)CC[N@H+]1CCOC ZINC001293559916 1066074748 /nfs/dbraw/zinc/07/47/48/1066074748.db2.gz GNPQIKIJNOVXCS-NRFANRHFSA-N 1 1 479.629 2.813 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CCN1CCOC ZINC001293563439 1066076751 /nfs/dbraw/zinc/07/67/51/1066076751.db2.gz AKVNYRMEOWRBBK-JOCHJYFZSA-N 1 1 470.662 2.911 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCOCCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293565428 1066077745 /nfs/dbraw/zinc/07/77/45/1066077745.db2.gz MKAQYHLSOQDWKI-NQIIRXRSSA-N 1 1 464.010 2.809 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CCN1CCOC ZINC001293569141 1066081457 /nfs/dbraw/zinc/08/14/57/1066081457.db2.gz UPSBIAIPHKKATH-HXUWFJFHSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293571282 1066083339 /nfs/dbraw/zinc/08/33/39/1066083339.db2.gz JBZWGCPSZTWBMT-HKUYNNGSSA-N 1 1 450.534 2.559 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293572218 1066083749 /nfs/dbraw/zinc/08/37/49/1066083749.db2.gz RIECKVOHQHWDOB-DHLKQENFSA-N 1 1 468.577 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001293577786 1066088330 /nfs/dbraw/zinc/08/83/30/1066088330.db2.gz XZBDJECOQJDQOE-LPHOPBHVSA-N 1 1 454.579 2.691 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@H+]1CCOC ZINC001293583203 1066092756 /nfs/dbraw/zinc/09/27/56/1066092756.db2.gz NFZCUYLPEGQLTQ-RTBURBONSA-N 1 1 492.571 2.734 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@H+]1CCOC ZINC001293584056 1066093484 /nfs/dbraw/zinc/09/34/84/1066093484.db2.gz KYGBIKWXECYBFB-RTWAWAEBSA-N 1 1 472.609 2.893 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@H+]1CCOC ZINC001293584055 1066093523 /nfs/dbraw/zinc/09/35/23/1066093523.db2.gz KYGBIKWXECYBFB-NHCUHLMSSA-N 1 1 472.609 2.893 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293587999 1066096187 /nfs/dbraw/zinc/09/61/87/1066096187.db2.gz SLSJXCAKJPLBLW-LWIATZKVSA-N 1 1 492.665 2.716 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293588196 1066096744 /nfs/dbraw/zinc/09/67/44/1066096744.db2.gz USFTYVHLSULDRO-QNWVGRARSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588196 1066096757 /nfs/dbraw/zinc/09/67/57/1066096757.db2.gz USFTYVHLSULDRO-QNWVGRARSA-N 1 1 462.683 2.982 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCOC)CCO1 ZINC001293593987 1066100023 /nfs/dbraw/zinc/10/00/23/1066100023.db2.gz GMZGOQCJJWPCAF-NHCUHLMSSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@H+]1CCOC ZINC001293595465 1066104235 /nfs/dbraw/zinc/10/42/35/1066104235.db2.gz SCIPZVWURIZNLI-YADHBBJMSA-N 1 1 456.635 2.638 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@H+]1CCOC ZINC001293596123 1066106568 /nfs/dbraw/zinc/10/65/68/1066106568.db2.gz QCQOPQIKYZGTGW-RTBURBONSA-N 1 1 476.647 2.558 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@H+]1CCOC ZINC001293597432 1066109441 /nfs/dbraw/zinc/10/94/41/1066109441.db2.gz SXBPGNKOQYMGMP-PKTZIBPZSA-N 1 1 484.645 2.805 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001293597451 1066110142 /nfs/dbraw/zinc/11/01/42/1066110142.db2.gz SZQHBVFGTRZLFT-QFZWGZQFSA-N 1 1 457.619 2.627 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCNC(=O)OC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293599112 1066113785 /nfs/dbraw/zinc/11/37/85/1066113785.db2.gz AZALCWSYUFSKJS-RTBURBONSA-N 1 1 464.655 2.938 20 0 JFADMO CC[C@H]1CN(c2nnc(CC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293606722 1066121893 /nfs/dbraw/zinc/12/18/93/1066121893.db2.gz GKFZCGKQDYWHGM-LEWJYISDSA-N 1 1 476.666 2.891 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293609631 1066124805 /nfs/dbraw/zinc/12/48/05/1066124805.db2.gz RLCCTOTUKVDSLW-DNVJHFABSA-N 1 1 462.683 2.525 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC[N@H+]1CCOC ZINC001293610846 1066126626 /nfs/dbraw/zinc/12/66/26/1066126626.db2.gz VZHVRDIJDNDMQV-HXUWFJFHSA-N 1 1 477.053 2.842 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001293613648 1066130974 /nfs/dbraw/zinc/13/09/74/1066130974.db2.gz YVHUPZBKCBUUOW-VXKWHMMOSA-N 1 1 457.619 2.850 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293616661 1066132880 /nfs/dbraw/zinc/13/28/80/1066132880.db2.gz LXJWCMFDEOQTEJ-VSKRKVRLSA-N 1 1 456.635 2.872 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCc2nccnc2C)CC[N@H+]1CCOC ZINC001293619361 1066135541 /nfs/dbraw/zinc/13/55/41/1066135541.db2.gz BFTVVRQIGNEYJQ-HXUWFJFHSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2c(C)nn(C)c2C)CC[N@H+]1CCOC ZINC001293619939 1066136955 /nfs/dbraw/zinc/13/69/55/1066136955.db2.gz DUHSXTKKYGYUQI-FQEVSTJZSA-N 1 1 457.648 2.876 20 0 JFADMO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001293624121 1066140178 /nfs/dbraw/zinc/14/01/78/1066140178.db2.gz VCNHIZYLQKGIDR-ZJSXRUAMSA-N 1 1 464.724 2.995 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@H+]1CCOC ZINC001293632886 1066147634 /nfs/dbraw/zinc/14/76/34/1066147634.db2.gz XMHHHQMYQTXYLV-ATIYNZHBSA-N 1 1 499.660 2.804 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293634297 1066149709 /nfs/dbraw/zinc/14/97/09/1066149709.db2.gz DNJCAQCCLLSGEW-JTHBVZDNSA-N 1 1 498.672 2.793 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](F)COC)C[C@@H]1[NH+]1CCOCC1 ZINC001293638866 1066156667 /nfs/dbraw/zinc/15/66/67/1066156667.db2.gz MEDWODMJGFPXFA-URVUXULASA-N 1 1 461.582 2.697 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001293650729 1066163458 /nfs/dbraw/zinc/16/34/58/1066163458.db2.gz TUPXLJCUYOENNF-SFHLNBCPSA-N 1 1 461.582 2.968 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001293652465 1066164271 /nfs/dbraw/zinc/16/42/71/1066164271.db2.gz JCBULJUBTIUUFU-TVFCKZIOSA-N 1 1 461.529 2.644 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293652519 1066164687 /nfs/dbraw/zinc/16/46/87/1066164687.db2.gz PQDAIKBNYDKJSJ-YYTDSSBASA-N 1 1 490.693 2.658 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)OC)C[C@H]1[NH+]1CCOCC1 ZINC001293653528 1066166134 /nfs/dbraw/zinc/16/61/34/1066166134.db2.gz PJPXPVPEDXWNGL-SSSFQFABSA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)CC[N@H+]1CCOC ZINC001293653786 1066166406 /nfs/dbraw/zinc/16/64/06/1066166406.db2.gz QKCQXSRITYAZHP-LEWJYISDSA-N 1 1 456.591 2.705 20 0 JFADMO CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001293664842 1066169470 /nfs/dbraw/zinc/16/94/70/1066169470.db2.gz IKFRLYFSYJKQOY-YVMONPNESA-N 1 1 466.634 2.886 20 0 JFADMO CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293712435 1066180218 /nfs/dbraw/zinc/18/02/18/1066180218.db2.gz RBPLQUWBAWRZNE-FERLCFGISA-N 1 1 452.603 2.587 20 0 JFADMO CC/C=C/Cn1c(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293726205 1066185181 /nfs/dbraw/zinc/18/51/81/1066185181.db2.gz PPYZIWZLOWRAGN-PVDAQWQPSA-N 1 1 460.667 2.891 20 0 JFADMO C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC001293745382 1066215057 /nfs/dbraw/zinc/21/50/57/1066215057.db2.gz PGHOOIDWYSTOOM-OTYXRUKQSA-N 1 1 456.155 2.962 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001293779209 1066272656 /nfs/dbraw/zinc/27/26/56/1066272656.db2.gz BLYGQFKHYUAERR-LJQANCHMSA-N 1 1 470.666 2.757 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293784090 1066281996 /nfs/dbraw/zinc/28/19/96/1066281996.db2.gz HSHPVPPMAFZRMG-RTBURBONSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293784090 1066282004 /nfs/dbraw/zinc/28/20/04/1066282004.db2.gz HSHPVPPMAFZRMG-RTBURBONSA-N 1 1 490.052 2.847 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001293796528 1066304652 /nfs/dbraw/zinc/30/46/52/1066304652.db2.gz YRGGUPJZYCMTJA-OAQYLSRUSA-N 1 1 483.661 2.507 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001293796528 1066304668 /nfs/dbraw/zinc/30/46/68/1066304668.db2.gz YRGGUPJZYCMTJA-OAQYLSRUSA-N 1 1 483.661 2.507 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293804349 1066313492 /nfs/dbraw/zinc/31/34/92/1066313492.db2.gz BIOIRQNHERGLEL-CVDCTZTESA-N 1 1 462.042 2.761 20 0 JFADMO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293804348 1066313690 /nfs/dbraw/zinc/31/36/90/1066313690.db2.gz BIOIRQNHERGLEL-AUSIDOKSSA-N 1 1 462.042 2.761 20 0 JFADMO O=C(NCC[NH+]1CC=CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC001293804473 1066313727 /nfs/dbraw/zinc/31/37/27/1066313727.db2.gz CIQYQTRESZZSLI-UHFFFAOYSA-N 1 1 450.358 2.852 20 0 JFADMO CCC[C@](C)(O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001293811286 1066321530 /nfs/dbraw/zinc/32/15/30/1066321530.db2.gz ACGFDDCPBTZVQB-CLLDFNAGSA-N 1 1 468.646 2.793 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001293832809 1066336008 /nfs/dbraw/zinc/33/60/08/1066336008.db2.gz AHHKNCFDCBSKAV-RPWUZVMVSA-N 1 1 461.582 2.848 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293833689 1066338048 /nfs/dbraw/zinc/33/80/48/1066338048.db2.gz GBTJCNPCTIKDIC-NBGIEHNGSA-N 1 1 474.625 2.764 20 0 JFADMO CCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001293834391 1066338722 /nfs/dbraw/zinc/33/87/22/1066338722.db2.gz HWBLKAWMHPDCHA-HOKHCIIBSA-N 1 1 457.619 2.874 20 0 JFADMO CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293835507 1066339764 /nfs/dbraw/zinc/33/97/64/1066339764.db2.gz KXAOJVILEAJDPY-WXVAWEFUSA-N 1 1 498.672 2.768 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293866128 1066376523 /nfs/dbraw/zinc/37/65/23/1066376523.db2.gz XBEIRFCXDUVNJS-JAXLGGSGSA-N 1 1 476.666 2.762 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001293866574 1066377900 /nfs/dbraw/zinc/37/79/00/1066377900.db2.gz CCLWLORDQKWUON-ONTIZHBOSA-N 1 1 460.667 2.720 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001293866576 1066378142 /nfs/dbraw/zinc/37/81/42/1066378142.db2.gz CCLWLORDQKWUON-VWPQPMDRSA-N 1 1 460.667 2.720 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001293882874 1066388340 /nfs/dbraw/zinc/38/83/40/1066388340.db2.gz KLEVCPOMYHFHJH-AVRWGWEMSA-N 1 1 467.618 2.614 20 0 JFADMO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001293890218 1066391676 /nfs/dbraw/zinc/39/16/76/1066391676.db2.gz XSFAEIDJYBOSDR-BQJUDKOJSA-N 1 1 484.711 2.604 20 0 JFADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001293914195 1066398744 /nfs/dbraw/zinc/39/87/44/1066398744.db2.gz KPFRBJVJAHOKOG-NRFANRHFSA-N 1 1 455.002 2.969 20 0 JFADMO CCC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)OC ZINC001293957049 1066455180 /nfs/dbraw/zinc/45/51/80/1066455180.db2.gz QKMFNSJUDKMKJU-FOVJLYNBSA-N 1 1 484.645 2.758 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001293962965 1066462871 /nfs/dbraw/zinc/46/28/71/1066462871.db2.gz RGNHZSLJYCGSII-PMACEKPBSA-N 1 1 459.591 2.688 20 0 JFADMO CCC[C@@H](Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001293962965 1066462873 /nfs/dbraw/zinc/46/28/73/1066462873.db2.gz RGNHZSLJYCGSII-PMACEKPBSA-N 1 1 459.591 2.688 20 0 JFADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001293981497 1066485176 /nfs/dbraw/zinc/48/51/76/1066485176.db2.gz DBEKLZFDNXJTKL-DEOSSOPVSA-N 1 1 451.596 2.686 20 0 JFADMO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001293990939 1066493781 /nfs/dbraw/zinc/49/37/81/1066493781.db2.gz BDDSZXUTANHOMI-MOPGFXCFSA-N 1 1 455.607 2.930 20 0 JFADMO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001293990942 1066494508 /nfs/dbraw/zinc/49/45/08/1066494508.db2.gz BDDSZXUTANHOMI-RTBURBONSA-N 1 1 455.607 2.930 20 0 JFADMO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001294004278 1066503691 /nfs/dbraw/zinc/50/36/91/1066503691.db2.gz URPPLDDMORUIHZ-LJQANCHMSA-N 1 1 459.639 2.699 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294007721 1066506965 /nfs/dbraw/zinc/50/69/65/1066506965.db2.gz XQBFTYRHLTVWDB-QPPBQGQZSA-N 1 1 497.688 2.584 20 0 JFADMO CCCc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)o1 ZINC001294043795 1066520620 /nfs/dbraw/zinc/52/06/20/1066520620.db2.gz WJIQVDDLYMCGLT-IBGZPJMESA-N 1 1 456.595 2.523 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)cs2)CC[N@H+]1CCOC ZINC001294054487 1066526325 /nfs/dbraw/zinc/52/63/25/1066526325.db2.gz HRVFAQHZEVYFAH-SFHVURJKSA-N 1 1 484.630 2.676 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)CC[N@H+]1CCOC ZINC001294054821 1066527631 /nfs/dbraw/zinc/52/76/31/1066527631.db2.gz OJXZADOEPFJIAT-QGZVFWFLSA-N 1 1 460.545 2.794 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC[N@H+]1CCOC ZINC001294054989 1066528452 /nfs/dbraw/zinc/52/84/52/1066528452.db2.gz REMXWHQGHIMXCQ-TYBLODHISA-N 1 1 476.666 2.799 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC[N@H+]1CCOC ZINC001294056182 1066530111 /nfs/dbraw/zinc/53/01/11/1066530111.db2.gz ZWNITBLQMCVYSS-NRFANRHFSA-N 1 1 470.618 2.508 20 0 JFADMO Cc1cnn(-c2cc(C(=O)Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)c(N)cc2F)c1 ZINC001294063746 1066534614 /nfs/dbraw/zinc/53/46/14/1066534614.db2.gz BKTFIOUFQWUUSI-UHFFFAOYSA-N 1 1 452.534 2.781 20 0 JFADMO COc1ccc([C@H](CC(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)NC(C)=O)cc1 ZINC001294064579 1066534958 /nfs/dbraw/zinc/53/49/58/1066534958.db2.gz MUHPYUQHUOINTG-DEOSSOPVSA-N 1 1 454.571 2.527 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001294066799 1066536726 /nfs/dbraw/zinc/53/67/26/1066536726.db2.gz JSFDLQZVJKWLLH-OAQYLSRUSA-N 1 1 467.618 2.981 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001294066947 1066537242 /nfs/dbraw/zinc/53/72/42/1066537242.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 1 1 474.650 2.894 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC[N@H+]1CCOC ZINC001294067281 1066537740 /nfs/dbraw/zinc/53/77/40/1066537740.db2.gz HJLQMVNLGKUJCX-QFIPXVFZSA-N 1 1 467.618 2.981 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294067412 1066538021 /nfs/dbraw/zinc/53/80/21/1066538021.db2.gz IROAOMMWDNHWGH-PKTZIBPZSA-N 1 1 484.645 2.902 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2n[nH]c(C)n2)CC[N@H+]1CCOC ZINC001294072245 1066541110 /nfs/dbraw/zinc/54/11/10/1066541110.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nc(C)n[nH]2)CC[N@@H+]1CCOC ZINC001294072245 1066541121 /nfs/dbraw/zinc/54/11/21/1066541121.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nc(C)n[nH]2)CC[N@H+]1CCOC ZINC001294072245 1066541131 /nfs/dbraw/zinc/54/11/31/1066541131.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 1 452.607 2.860 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC[N@H+]1CCOC ZINC001294076109 1066545064 /nfs/dbraw/zinc/54/50/64/1066545064.db2.gz FPSGDPSQLHOYBY-GOSISDBHSA-N 1 1 463.652 2.585 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC001294077860 1066546914 /nfs/dbraw/zinc/54/69/14/1066546914.db2.gz STZJCDTUURTQON-RZUBCFFCSA-N 1 1 459.639 2.821 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294077788 1066546945 /nfs/dbraw/zinc/54/69/45/1066546945.db2.gz MHYCGOYCROWOGG-ZDUSSCGKSA-N 1 1 455.930 2.827 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@H+]1CCOC ZINC001294077884 1066547358 /nfs/dbraw/zinc/54/73/58/1066547358.db2.gz TYQRNSJPIILTTC-CYFREDJKSA-N 1 1 457.623 2.613 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC001294077861 1066547504 /nfs/dbraw/zinc/54/75/04/1066547504.db2.gz STZJCDTUURTQON-TUNNFDKTSA-N 1 1 459.639 2.821 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@H+]1CCOC ZINC001294078067 1066547859 /nfs/dbraw/zinc/54/78/59/1066547859.db2.gz VKJPLQFAAIMWPR-SQJMNOBHSA-N 1 1 465.602 2.580 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CC[N@H+]1CCOC ZINC001294078317 1066547965 /nfs/dbraw/zinc/54/79/65/1066547965.db2.gz YJKDNYUXVBXIHB-OAQYLSRUSA-N 1 1 453.591 2.564 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CC[N@H+]1CCOC ZINC001294080903 1066549278 /nfs/dbraw/zinc/54/92/78/1066549278.db2.gz GRWKEYSSGSESRS-OAQYLSRUSA-N 1 1 452.607 2.562 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294084147 1066553622 /nfs/dbraw/zinc/55/36/22/1066553622.db2.gz ZACUMUHIYILXBP-FCHUYYIVSA-N 1 1 472.634 2.687 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@H+]1CCOC ZINC001294085532 1066555962 /nfs/dbraw/zinc/55/59/62/1066555962.db2.gz UAKBWGWVGNCKLH-MJGOQNOKSA-N 1 1 494.562 2.826 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001294086055 1066556816 /nfs/dbraw/zinc/55/68/16/1066556816.db2.gz WEIXIRNHFSNATO-QZTJIDSGSA-N 1 1 495.550 2.628 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@H+]1CCOC ZINC001294086829 1066558312 /nfs/dbraw/zinc/55/83/12/1066558312.db2.gz YYNFMZIFZZSVBY-PXNSSMCTSA-N 1 1 491.036 2.877 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001294089436 1066560609 /nfs/dbraw/zinc/56/06/09/1066560609.db2.gz AKDZBOUBLDQNHW-OAQYLSRUSA-N 1 1 457.619 2.994 20 0 JFADMO C[C@H]1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001294090865 1066561354 /nfs/dbraw/zinc/56/13/54/1066561354.db2.gz WPNSWJZNMLDQMV-NRFANRHFSA-N 1 1 455.624 2.654 20 0 JFADMO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c3ccc(F)cc3)C1)CC2 ZINC000033972467 569639439 /nfs/dbraw/zinc/63/94/39/569639439.db2.gz MWLKUSHZNSYRKK-HXUWFJFHSA-N 1 1 469.557 2.870 20 0 in-vitro JFADMO CCOC(=O)c1cc2n(n1)CCCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164409638 718866471 /nfs/dbraw/zinc/86/64/71/718866471.db2.gz RYUUQJGRWVRAPF-SFHVURJKSA-N 1 1 498.628 2.664 20 0 JFADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001164430042 718956655 /nfs/dbraw/zinc/95/66/55/718956655.db2.gz UDOCOQWAPRACHB-CJFMBICVSA-N 1 1 485.032 2.838 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3nnc(Cc4ccccc4)c4ccccc43)CC2)C1=O ZINC001164637854 719279732 /nfs/dbraw/zinc/27/97/32/719279732.db2.gz AEFHFSVMFJOIFC-UHFFFAOYSA-N 1 1 459.594 2.980 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(Cc4ccccc4)c4ccccc43)CC2)C1=O ZINC001164637854 719279737 /nfs/dbraw/zinc/27/97/37/719279737.db2.gz AEFHFSVMFJOIFC-UHFFFAOYSA-N 1 1 459.594 2.980 20 0 JFADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC2)C1=O ZINC001164644995 719283314 /nfs/dbraw/zinc/28/33/14/719283314.db2.gz ZTIBBVMDMMYOCF-UHFFFAOYSA-N 1 1 453.921 2.980 20 0 JFADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(F)F)nc4ccc(Cl)cc43)CC2)C1=O ZINC001164644995 719283318 /nfs/dbraw/zinc/28/33/18/719283318.db2.gz ZTIBBVMDMMYOCF-UHFFFAOYSA-N 1 1 453.921 2.980 20 0 JFADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@H+]4CC[C@H](CO)C4)C[C@H]3O2)n1 ZINC001164648147 719300080 /nfs/dbraw/zinc/30/00/80/719300080.db2.gz FTNYLNMEDAGGLY-YHDSQAASSA-N 1 1 498.628 2.928 20 0 JFADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)n1 ZINC001164664865 719356658 /nfs/dbraw/zinc/35/66/58/719356658.db2.gz QQSABECJKJLUND-FQEVSTJZSA-N 1 1 467.952 2.963 20 0 JFADMO C[N@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@H]21 ZINC001164667853 719438581 /nfs/dbraw/zinc/43/85/81/719438581.db2.gz HWNVXOOPPLUORQ-JWQCQUIFSA-N 1 1 478.618 2.992 20 0 JFADMO CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679801 719645872 /nfs/dbraw/zinc/64/58/72/719645872.db2.gz NMQBQJXZWWLMAZ-UHFFFAOYSA-N 1 1 458.563 2.693 20 0 JFADMO CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)c2c1CC[NH2+]C2 ZINC001164679801 719645886 /nfs/dbraw/zinc/64/58/86/719645886.db2.gz NMQBQJXZWWLMAZ-UHFFFAOYSA-N 1 1 458.563 2.693 20 0 JFADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(ncn4C)c(N4CCOCC4)n2)CC3)cs1 ZINC001164692741 719806801 /nfs/dbraw/zinc/80/68/01/719806801.db2.gz MADJSOBZSOJETO-UHFFFAOYSA-N 1 1 468.631 2.600 20 0 JFADMO CCOC(=O)c1cc2c(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)[nH]c(C)c(C)c-2n1 ZINC001164701889 719859508 /nfs/dbraw/zinc/85/95/08/719859508.db2.gz LMKPXBYZDHKZKE-OSPHWJPCSA-N 1 1 458.559 2.589 20 0 JFADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccncc2)nc2sccc21 ZINC001164701804 719875741 /nfs/dbraw/zinc/87/57/41/719875741.db2.gz HSNKBTZMWZBKIZ-SBUREZEXSA-N 1 1 453.568 2.986 20 0 JFADMO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707934 719898677 /nfs/dbraw/zinc/89/86/77/719898677.db2.gz ZTPSYJJNTBSYSN-UHFFFAOYSA-N 1 1 457.600 2.924 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164711635 720099089 /nfs/dbraw/zinc/09/90/89/720099089.db2.gz RVKRGOZKGYQJNJ-IBGZPJMESA-N 1 1 468.554 2.557 20 0 JFADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164713096 720132607 /nfs/dbraw/zinc/13/26/07/720132607.db2.gz QPIKOZNRJLZPDQ-OAQYLSRUSA-N 1 1 453.587 2.926 20 0 JFADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808200 720148149 /nfs/dbraw/zinc/14/81/49/720148149.db2.gz DWLOOHNHXUYTLE-KBMIEXCESA-N 1 1 468.554 2.665 20 0 JFADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164713550 720150621 /nfs/dbraw/zinc/15/06/21/720150621.db2.gz RVEKRMODCZEQKV-QFIPXVFZSA-N 1 1 485.654 2.769 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817520 720173806 /nfs/dbraw/zinc/17/38/06/720173806.db2.gz PRTPPTNFWJYIIS-GREBRCKQSA-N 1 1 450.649 2.733 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817526 720174302 /nfs/dbraw/zinc/17/43/02/720174302.db2.gz PRTPPTNFWJYIIS-NOXFTYBFSA-N 1 1 450.649 2.733 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cnc1Cl ZINC001164814087 720217407 /nfs/dbraw/zinc/21/74/07/720217407.db2.gz SPIPVMZJJIUCFS-UHFFFAOYSA-N 1 1 469.920 2.874 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811908 720221445 /nfs/dbraw/zinc/22/14/45/720221445.db2.gz ADYPDHTYRINOOH-UHFFFAOYSA-N 1 1 450.543 2.614 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001164723325 720274448 /nfs/dbraw/zinc/27/44/48/720274448.db2.gz WTYWGLUMBOJQCO-DEOSSOPVSA-N 1 1 458.990 2.979 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001164723325 720274468 /nfs/dbraw/zinc/27/44/68/720274468.db2.gz WTYWGLUMBOJQCO-DEOSSOPVSA-N 1 1 458.990 2.979 20 0 JFADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C2)C1 ZINC001164721944 720300497 /nfs/dbraw/zinc/30/04/97/720300497.db2.gz NJKQRRQUOPGINV-HHHXNRCGSA-N 1 1 478.641 2.799 20 0 JFADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)C2)C1 ZINC001164721944 720300503 /nfs/dbraw/zinc/30/05/03/720300503.db2.gz NJKQRRQUOPGINV-HHHXNRCGSA-N 1 1 478.641 2.799 20 0 JFADMO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)O1 ZINC001164724523 720320440 /nfs/dbraw/zinc/32/04/40/720320440.db2.gz QSJXOHDVPKYBKJ-ZKMPZPQNSA-N 1 1 464.610 2.871 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723192 720350325 /nfs/dbraw/zinc/35/03/25/720350325.db2.gz HOQCCOSMJNHXIG-DLBZAZTESA-N 1 1 450.921 2.760 20 0 JFADMO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723192 720350336 /nfs/dbraw/zinc/35/03/36/720350336.db2.gz HOQCCOSMJNHXIG-DLBZAZTESA-N 1 1 450.921 2.760 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835229 720511293 /nfs/dbraw/zinc/51/12/93/720511293.db2.gz JERVNZVANRLXRF-HLLBOEOZSA-N 1 1 452.937 2.953 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835233 720511505 /nfs/dbraw/zinc/51/15/05/720511505.db2.gz JERVNZVANRLXRF-YQQAZPJKSA-N 1 1 452.937 2.953 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC[C@@H]21 ZINC001164834699 720538861 /nfs/dbraw/zinc/53/88/61/720538861.db2.gz FTMDJJYBMFTYEW-SKPFHBQLSA-N 1 1 459.598 2.937 20 0 JFADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834694 720538901 /nfs/dbraw/zinc/53/89/01/720538901.db2.gz FTMDJJYBMFTYEW-MZLICYQSSA-N 1 1 459.598 2.937 20 0 JFADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836679 720586556 /nfs/dbraw/zinc/58/65/56/720586556.db2.gz GHTNUWMCYWROQA-WSTZPKSXSA-N 1 1 451.575 2.719 20 0 JFADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@@H]21 ZINC001164840646 720601339 /nfs/dbraw/zinc/60/13/39/720601339.db2.gz QCSFIQUIQSVCPS-FKBYEOEOSA-N 1 1 465.650 2.646 20 0 JFADMO Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164742960 720638977 /nfs/dbraw/zinc/63/89/77/720638977.db2.gz NRMSXYSWASKNHC-UXHICEINSA-N 1 1 478.000 2.820 20 0 JFADMO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164745089 720646735 /nfs/dbraw/zinc/64/67/35/720646735.db2.gz UIEONOFOVKDLGE-WOJBJXKFSA-N 1 1 464.957 2.797 20 0 JFADMO Clc1nc(Cl)c2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164740065 720656041 /nfs/dbraw/zinc/65/60/41/720656041.db2.gz PLIGXQOEAMXGNL-ZJUUUORDSA-N 1 1 453.721 2.512 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164843380 720679245 /nfs/dbraw/zinc/67/92/45/720679245.db2.gz OZMWJGIYKOGOCB-GOSISDBHSA-N 1 1 455.584 2.621 20 0 JFADMO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164843380 720679250 /nfs/dbraw/zinc/67/92/50/720679250.db2.gz OZMWJGIYKOGOCB-GOSISDBHSA-N 1 1 455.584 2.621 20 0 JFADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]cc(S(C)(=O)=O)c31)CC2 ZINC001164843380 720679252 /nfs/dbraw/zinc/67/92/52/720679252.db2.gz OZMWJGIYKOGOCB-GOSISDBHSA-N 1 1 455.584 2.621 20 0 JFADMO C[NH+]1CCN(c2nccc(N3Cc4ccccc4C4(CCN(c5ncc(F)cn5)CC4)C3)n2)CC1 ZINC001164836750 720735058 /nfs/dbraw/zinc/73/50/58/720735058.db2.gz FXJFIZHLESWFCN-UHFFFAOYSA-N 1 1 474.588 2.716 20 0 JFADMO COC[C@]12CCC[C@@H]1CN(c1nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845483 720790640 /nfs/dbraw/zinc/79/06/40/720790640.db2.gz GKJAFCWRVQYNFX-KBMIEXCESA-N 1 1 486.686 2.528 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164743377 720807341 /nfs/dbraw/zinc/80/73/41/720807341.db2.gz FRRZPTHFTRJHEQ-HUUCEWRRSA-N 1 1 450.374 2.906 20 0 JFADMO Clc1nnc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1N1CCCCC1 ZINC001164743377 720807345 /nfs/dbraw/zinc/80/73/45/720807345.db2.gz FRRZPTHFTRJHEQ-HUUCEWRRSA-N 1 1 450.374 2.906 20 0 JFADMO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164743824 720816704 /nfs/dbraw/zinc/81/67/04/720816704.db2.gz SPOVNURXPBOZOC-IPMKNSEASA-N 1 1 454.579 2.795 20 0 JFADMO CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncn1 ZINC001164743822 720816932 /nfs/dbraw/zinc/81/69/32/720816932.db2.gz SPOVNURXPBOZOC-GBESFXJTSA-N 1 1 454.579 2.795 20 0 JFADMO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738035 720828085 /nfs/dbraw/zinc/82/80/85/720828085.db2.gz DOZKQMCMGPTENF-RZUBCFFCSA-N 1 1 461.570 2.777 20 0 JFADMO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164747964 720835446 /nfs/dbraw/zinc/83/54/46/720835446.db2.gz SCCRPUSGPVYYKT-YPAWHYETSA-N 1 1 459.602 2.576 20 0 JFADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741219 720841531 /nfs/dbraw/zinc/84/15/31/720841531.db2.gz DUCLNVFEOASIEP-RBSFLKMASA-N 1 1 455.966 2.935 20 0 JFADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@H]2C1 ZINC001164851264 720845928 /nfs/dbraw/zinc/84/59/28/720845928.db2.gz GILAFLBQHXYKNS-OALUTQOASA-N 1 1 456.978 2.702 20 0 JFADMO CC1CCN(C(=O)c2cccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001164739514 720847152 /nfs/dbraw/zinc/84/71/52/720847152.db2.gz AVRLSXKWRXRTNE-AOHZBQACSA-N 1 1 463.630 2.925 20 0 JFADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164751802 720847869 /nfs/dbraw/zinc/84/78/69/720847869.db2.gz YSUUVCOYSXTROO-DMTNHVFBSA-N 1 1 499.667 2.774 20 0 JFADMO CN(C)c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164753604 720856677 /nfs/dbraw/zinc/85/66/77/720856677.db2.gz YPDCLXOJXMTKPD-IXDOHACOSA-N 1 1 466.968 2.712 20 0 JFADMO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164752813 720860695 /nfs/dbraw/zinc/86/06/95/720860695.db2.gz UTBAROSXCFOTFE-BZUAXINKSA-N 1 1 453.925 2.654 20 0 JFADMO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(Cl)n1 ZINC001164752819 720860703 /nfs/dbraw/zinc/86/07/03/720860703.db2.gz UTBAROSXCFOTFE-HRCADAONSA-N 1 1 453.925 2.654 20 0 JFADMO NC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755757 720874467 /nfs/dbraw/zinc/87/44/67/720874467.db2.gz YSDVVJYMIPLOQN-YADARESESA-N 1 1 455.990 2.984 20 0 JFADMO COC(=O)Cc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753956 720886750 /nfs/dbraw/zinc/88/67/50/720886750.db2.gz HXRGAKAYRAGDTC-NVQXNPDNSA-N 1 1 450.583 2.947 20 0 JFADMO CCOC(=O)Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164755373 720894430 /nfs/dbraw/zinc/89/44/30/720894430.db2.gz LMWGOBMRBQLRAP-OZXSUGGESA-N 1 1 465.598 2.732 20 0 JFADMO COC(=O)c1nc2cnccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164758849 720895073 /nfs/dbraw/zinc/89/50/73/720895073.db2.gz ZWRMJDPYTNFHJV-IDISGSTGSA-N 1 1 488.592 2.962 20 0 JFADMO O=C(NC[C@@H]1OC[C@H]2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12)c1ccno1 ZINC001164853448 720907075 /nfs/dbraw/zinc/90/70/75/720907075.db2.gz AOMVQEUOQMHUTD-RQTOMXEWSA-N 1 1 473.577 2.899 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164750685 720913057 /nfs/dbraw/zinc/91/30/57/720913057.db2.gz JZULFLFZTGUYLM-BKMJKUGQSA-N 1 1 497.665 2.672 20 0 JFADMO O=C(NC1CC1)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752107 720922747 /nfs/dbraw/zinc/92/27/47/720922747.db2.gz NDVTWBQUAZEESS-QFQXNSOFSA-N 1 1 462.598 2.519 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752946 720924390 /nfs/dbraw/zinc/92/43/90/720924390.db2.gz PNNNVBGKPYHCQA-CVDCTZTESA-N 1 1 492.045 2.533 20 0 JFADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752950 720926077 /nfs/dbraw/zinc/92/60/77/720926077.db2.gz PNNNVBGKPYHCQA-XXBNENTESA-N 1 1 492.045 2.533 20 0 JFADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)[C@H]2C ZINC001164864142 720988849 /nfs/dbraw/zinc/98/88/49/720988849.db2.gz XTYWPQRCDURSCM-LBPRGKRZSA-N 1 1 462.954 2.545 20 0 JFADMO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164757405 721024141 /nfs/dbraw/zinc/02/41/41/721024141.db2.gz DYJLRRZXUFTXOR-JOCHJYFZSA-N 1 1 470.581 2.667 20 0 JFADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164861148 721035134 /nfs/dbraw/zinc/03/51/34/721035134.db2.gz DHJRAUMDGOOKFQ-GDLZYMKVSA-N 1 1 496.615 2.879 20 0 JFADMO c1ccc(CN2CCc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3C2)cc1 ZINC001164868630 721059227 /nfs/dbraw/zinc/05/92/27/721059227.db2.gz OVAJASQLBKQOJP-RPWUZVMVSA-N 1 1 456.594 2.910 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164765277 721064068 /nfs/dbraw/zinc/06/40/68/721064068.db2.gz COOBDQYSQZMIEX-CUYJMHBOSA-N 1 1 472.593 2.540 20 0 JFADMO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164765277 721064077 /nfs/dbraw/zinc/06/40/77/721064077.db2.gz COOBDQYSQZMIEX-CUYJMHBOSA-N 1 1 472.593 2.540 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868682 721069422 /nfs/dbraw/zinc/06/94/22/721069422.db2.gz PKNJNTKXDGTFTK-RTWAWAEBSA-N 1 1 490.589 2.543 20 0 JFADMO COC(=O)c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164871436 721071845 /nfs/dbraw/zinc/07/18/45/721071845.db2.gz YVMQJRGWAWLRDL-IRXDYDNUSA-N 1 1 452.889 2.941 20 0 JFADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864564 721090064 /nfs/dbraw/zinc/09/00/64/721090064.db2.gz GHXDQNQCBZIKAW-VQTJNVASSA-N 1 1 464.570 2.853 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865383 721106806 /nfs/dbraw/zinc/10/68/06/721106806.db2.gz KRBVUCUKZKCINK-NHCUHLMSSA-N 1 1 459.529 2.888 20 0 JFADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865385 721107495 /nfs/dbraw/zinc/10/74/95/721107495.db2.gz KRBVUCUKZKCINK-SFTDATJTSA-N 1 1 459.529 2.888 20 0 JFADMO c1cncc(CO[C@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC[N@H+]3C2)c1 ZINC001164865371 721107808 /nfs/dbraw/zinc/10/78/08/721107808.db2.gz KLTUOJGNCIRVCI-GOTSBHOMSA-N 1 1 472.597 2.799 20 0 JFADMO Cc1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863528 721109142 /nfs/dbraw/zinc/10/91/42/721109142.db2.gz CSMQYVTVBKJYPV-PMACEKPBSA-N 1 1 466.611 2.711 20 0 JFADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869807 721130093 /nfs/dbraw/zinc/13/00/93/721130093.db2.gz BUGNBUUDQCWXRC-IAGOWNOFSA-N 1 1 452.889 2.941 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771005 721131787 /nfs/dbraw/zinc/13/17/87/721131787.db2.gz RZRONSRMPXVCFV-HUUCEWRRSA-N 1 1 450.996 2.720 20 0 JFADMO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164772237 721132248 /nfs/dbraw/zinc/13/22/48/721132248.db2.gz UOYOSJSRLFFYPB-TUNNFDKTSA-N 1 1 478.645 2.672 20 0 JFADMO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879838 721158640 /nfs/dbraw/zinc/15/86/40/721158640.db2.gz UKAHNEXBQLFQAK-GUXCAODWSA-N 1 1 457.884 2.810 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C[C@H]3C2)cn1 ZINC001164773954 721159015 /nfs/dbraw/zinc/15/90/15/721159015.db2.gz ZLEPWJDGUJOATK-RBBKRZOGSA-N 1 1 459.602 2.616 20 0 JFADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164774337 721173265 /nfs/dbraw/zinc/17/32/65/721173265.db2.gz YJKJTPTYHZKYMH-QZTJIDSGSA-N 1 1 454.575 2.545 20 0 JFADMO COc1ccc(CN(C)c2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164879863 721176167 /nfs/dbraw/zinc/17/61/67/721176167.db2.gz UUDZPRNOMXUTRG-UPVQGACJSA-N 1 1 460.582 2.996 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164762578 721176292 /nfs/dbraw/zinc/17/62/92/721176292.db2.gz CVNASFMHQCBOIL-NHCUHLMSSA-N 1 1 496.637 2.973 20 0 JFADMO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC001164762578 721176300 /nfs/dbraw/zinc/17/63/00/721176300.db2.gz CVNASFMHQCBOIL-NHCUHLMSSA-N 1 1 496.637 2.973 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)C[C@H]3C2)cn1 ZINC001164770942 721188547 /nfs/dbraw/zinc/18/85/47/721188547.db2.gz PGMIKCRWHGRZGT-DLBZAZTESA-N 1 1 452.563 2.997 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C[C@@H]3C2)cn1 ZINC001164765901 721211872 /nfs/dbraw/zinc/21/18/72/721211872.db2.gz IPHNWBOVVMMGFL-HOCLYGCPSA-N 1 1 458.979 2.531 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)C[C@@H]3C2)cn1 ZINC001164773397 721212367 /nfs/dbraw/zinc/21/23/67/721212367.db2.gz WYKGXPNLFISIFE-YADHBBJMSA-N 1 1 476.604 2.634 20 0 JFADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164761087 721227155 /nfs/dbraw/zinc/22/71/55/721227155.db2.gz HHSYXGNESNCZPK-PKTZIBPZSA-N 1 1 459.598 2.672 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)C1 ZINC001164877124 721261869 /nfs/dbraw/zinc/26/18/69/721261869.db2.gz QESHILYIWGIOFK-UHFFFAOYSA-N 1 1 451.345 2.940 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC2)C1 ZINC001164870374 721274680 /nfs/dbraw/zinc/27/46/80/721274680.db2.gz XHFBLWDJMJKGHY-UHFFFAOYSA-N 1 1 455.937 2.768 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)CC2)C1 ZINC001164872314 721282411 /nfs/dbraw/zinc/28/24/11/721282411.db2.gz BUQGMSRZCHCEPC-UHFFFAOYSA-N 1 1 456.978 2.772 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC2)C1 ZINC001164874492 721284747 /nfs/dbraw/zinc/28/47/47/721284747.db2.gz SQAJPVYPELVQHH-UHFFFAOYSA-N 1 1 486.016 2.994 20 0 JFADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)CC2)C1 ZINC001164876571 721285031 /nfs/dbraw/zinc/28/50/31/721285031.db2.gz INYXHXBGXJIGCS-UHFFFAOYSA-N 1 1 483.947 2.942 20 0 JFADMO CN(C)C(=O)CN1CCOCC2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001164875786 721287305 /nfs/dbraw/zinc/28/73/05/721287305.db2.gz GSYYJXWEDWKFMW-UHFFFAOYSA-N 1 1 451.615 2.842 20 0 JFADMO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164776680 721308580 /nfs/dbraw/zinc/30/85/80/721308580.db2.gz OLDVXOJFWVWWKB-UHFFFAOYSA-N 1 1 465.598 2.942 20 0 JFADMO COC(OC)c1c(CO)ccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164780277 721360976 /nfs/dbraw/zinc/36/09/76/721360976.db2.gz FMJBEQJAGNAQEK-DEOSSOPVSA-N 1 1 460.575 2.589 20 0 JFADMO COC(OC)c1c(CO)ccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164780277 721360980 /nfs/dbraw/zinc/36/09/80/721360980.db2.gz FMJBEQJAGNAQEK-DEOSSOPVSA-N 1 1 460.575 2.589 20 0 JFADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4c3N(C)CCO4)C2)C1 ZINC001164780885 721363251 /nfs/dbraw/zinc/36/32/51/721363251.db2.gz IKWVLBLBBRTGQE-QFIPXVFZSA-N 1 1 462.982 2.682 20 0 JFADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4c3N(C)CCO4)C2)C1 ZINC001164780885 721363257 /nfs/dbraw/zinc/36/32/57/721363257.db2.gz IKWVLBLBBRTGQE-QFIPXVFZSA-N 1 1 462.982 2.682 20 0 JFADMO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2c1 ZINC001164890520 721386909 /nfs/dbraw/zinc/38/69/09/721386909.db2.gz NSLLFMATYXUZJT-MHECFPHRSA-N 1 1 474.005 2.835 20 0 JFADMO COCCOc1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OCCOC ZINC001164789944 721397499 /nfs/dbraw/zinc/39/74/99/721397499.db2.gz VMCCYPPFBPDMOQ-HDICACEKSA-N 1 1 485.610 2.705 20 0 JFADMO COCCOc1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2cc1OCCOC ZINC001164789944 721397502 /nfs/dbraw/zinc/39/75/02/721397502.db2.gz VMCCYPPFBPDMOQ-HDICACEKSA-N 1 1 485.610 2.705 20 0 JFADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164789109 721402531 /nfs/dbraw/zinc/40/25/31/721402531.db2.gz STHZQNHYFLXOAC-IRXDYDNUSA-N 1 1 466.592 2.693 20 0 JFADMO COC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)n1 ZINC001164888905 721407818 /nfs/dbraw/zinc/40/78/18/721407818.db2.gz PDRJXAUMZUHLCP-IIBYNOLFSA-N 1 1 472.964 2.832 20 0 JFADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164892903 721409283 /nfs/dbraw/zinc/40/92/83/721409283.db2.gz ZBDRHQNWQZKFEY-WZONZLPQSA-N 1 1 451.011 2.986 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C3)O2)CC1 ZINC001164892567 721410145 /nfs/dbraw/zinc/41/01/45/721410145.db2.gz YWJMRATYNYXHAJ-GLDPYIMESA-N 1 1 490.052 2.944 20 0 JFADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164888362 721411230 /nfs/dbraw/zinc/41/12/30/721411230.db2.gz OLEPJPWUPUAKCA-KSFYIVLOSA-N 1 1 484.066 2.794 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891383 721417988 /nfs/dbraw/zinc/41/79/88/721417988.db2.gz VRWLNZVNYRAVBM-MBSDFSHPSA-N 1 1 451.011 2.986 20 0 JFADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891381 721418323 /nfs/dbraw/zinc/41/83/23/721418323.db2.gz VRWLNZVNYRAVBM-JPYJTQIMSA-N 1 1 451.011 2.986 20 0 JFADMO Cc1cc2nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884558 721421079 /nfs/dbraw/zinc/42/10/79/721421079.db2.gz DWZAWRZMDFCQLY-NBGIEHNGSA-N 1 1 486.686 2.602 20 0 JFADMO CCOC(=O)c1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2s1 ZINC001164885177 721423570 /nfs/dbraw/zinc/42/35/70/721423570.db2.gz GDBPFBATVNDIDX-HXOBKFHXSA-N 1 1 459.616 2.633 20 0 JFADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164896142 721427761 /nfs/dbraw/zinc/42/77/61/721427761.db2.gz QQRQUPYNFWFQRD-ZEQKJWHPSA-N 1 1 450.631 2.975 20 0 JFADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C3)O2)CC1 ZINC001164895357 721435304 /nfs/dbraw/zinc/43/53/04/721435304.db2.gz NWUQUTSNVDJAGU-LEAFIULHSA-N 1 1 491.684 2.569 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888683 721438805 /nfs/dbraw/zinc/43/88/05/721438805.db2.gz AIQGILWBPIBQFN-MGPUTAFESA-N 1 1 454.953 2.922 20 0 JFADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN([C@@](F)(COc4cncc(Cl)n4)C(F)F)C3)O2)CC1 ZINC001164890789 721439943 /nfs/dbraw/zinc/43/99/43/721439943.db2.gz FTPKNBBWUCVJMR-NDXORKPFSA-N 1 1 477.959 2.701 20 0 JFADMO Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc(NC(=O)c2ccccc2)n1 ZINC001164898705 721444366 /nfs/dbraw/zinc/44/43/66/721444366.db2.gz WPEGRNUBZFENPJ-GJZUVCINSA-N 1 1 464.614 2.803 20 0 JFADMO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccnc(N4CC[NH+](C)CC4)n2)CCO3)cs1 ZINC001164781383 721445565 /nfs/dbraw/zinc/44/55/65/721445565.db2.gz FREZSIBCILJHJL-CVDCTZTESA-N 1 1 458.632 2.586 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788648 721450869 /nfs/dbraw/zinc/45/08/69/721450869.db2.gz RZSBQUFFRTWZMC-QGZVFWFLSA-N 1 1 452.983 2.651 20 0 JFADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C(N)=O)CC2 ZINC001164789218 721461202 /nfs/dbraw/zinc/46/12/02/721461202.db2.gz VWGXMUUVBVEARD-OAHLLOKOSA-N 1 1 472.417 2.616 20 0 JFADMO CCOC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)Cc2cnn(C)c21 ZINC001164793904 721477245 /nfs/dbraw/zinc/47/72/45/721477245.db2.gz ZPHUYZIPUMSZSO-ICSRJNTNSA-N 1 1 484.645 2.754 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)c2)CC1 ZINC001164895126 721479207 /nfs/dbraw/zinc/47/92/07/721479207.db2.gz RBUMXXQQELTONZ-PWHSHALESA-N 1 1 460.594 2.604 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164907125 721546270 /nfs/dbraw/zinc/54/62/70/721546270.db2.gz MEIZOYKGKOOGQX-AZUAARDMSA-N 1 1 480.496 2.961 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164804582 721550883 /nfs/dbraw/zinc/55/08/83/721550883.db2.gz KLULNBKFWHEULP-VDKIKQQVSA-N 1 1 458.566 2.626 20 0 JFADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCCC1 ZINC001164904218 721559807 /nfs/dbraw/zinc/55/98/07/721559807.db2.gz DKXXBXLFFVYDHR-FPOVZHCZSA-N 1 1 460.575 2.737 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164809362 721568663 /nfs/dbraw/zinc/56/86/63/721568663.db2.gz WOXFYWHHVPYQQY-BHDDXSALSA-N 1 1 453.587 2.822 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(CO)ccc2NC(=O)C(C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164809362 721568669 /nfs/dbraw/zinc/56/86/69/721568669.db2.gz WOXFYWHHVPYQQY-BHDDXSALSA-N 1 1 453.587 2.822 20 0 JFADMO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2cc1OC(C)=O ZINC001164805397 721568946 /nfs/dbraw/zinc/56/89/46/721568946.db2.gz NNPSUJFGSGUJDY-HWBMXIPRSA-N 1 1 491.548 2.744 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@@H]2CCCO[C@H]12 ZINC001164809921 721572905 /nfs/dbraw/zinc/57/29/05/721572905.db2.gz YGRAPVLXYCGGNA-LMMKCTJWSA-N 1 1 451.905 2.642 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2C(N)=O)[C@@H]2CCCO[C@H]12 ZINC001164809921 721572907 /nfs/dbraw/zinc/57/29/07/721572907.db2.gz YGRAPVLXYCGGNA-LMMKCTJWSA-N 1 1 451.905 2.642 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164807851 721574542 /nfs/dbraw/zinc/57/45/42/721574542.db2.gz TXKGJFKPTXRDFW-RYRKJORJSA-N 1 1 456.934 2.661 20 0 JFADMO COC(=O)c1c[nH]c2nc(Cl)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164807851 721574544 /nfs/dbraw/zinc/57/45/44/721574544.db2.gz TXKGJFKPTXRDFW-RYRKJORJSA-N 1 1 456.934 2.661 20 0 JFADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164805031 721577631 /nfs/dbraw/zinc/57/76/31/721577631.db2.gz KCNBRYAHWXAOCY-CQOQZXRMSA-N 1 1 471.627 2.519 20 0 JFADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164805031 721577634 /nfs/dbraw/zinc/57/76/34/721577634.db2.gz KCNBRYAHWXAOCY-CQOQZXRMSA-N 1 1 471.627 2.519 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164805026 721580658 /nfs/dbraw/zinc/58/06/58/721580658.db2.gz KBSPASBLQBNKHB-ASLXYRGWSA-N 1 1 473.643 2.812 20 0 JFADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164805026 721580660 /nfs/dbraw/zinc/58/06/60/721580660.db2.gz KBSPASBLQBNKHB-ASLXYRGWSA-N 1 1 473.643 2.812 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806833 721581134 /nfs/dbraw/zinc/58/11/34/721581134.db2.gz NBVYRIIAAAYRTP-WPFOTENUSA-N 1 1 473.643 2.669 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164806833 721581137 /nfs/dbraw/zinc/58/11/37/721581137.db2.gz NBVYRIIAAAYRTP-WPFOTENUSA-N 1 1 473.643 2.669 20 0 JFADMO O=C([C@@H]1C[C@H]2[C@H](CCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)O1)N1CCOCC1 ZINC001164799519 721596253 /nfs/dbraw/zinc/59/62/53/721596253.db2.gz MTNIKOFPLITITL-UFYCRDLUSA-N 1 1 497.665 2.761 20 0 JFADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)n1 ZINC001164802060 721598775 /nfs/dbraw/zinc/59/87/75/721598775.db2.gz QNNUAEXBHPFGJO-NZSAHSFTSA-N 1 1 481.626 2.574 20 0 JFADMO Cc1cccc(CN2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)CC[C@H]3C2=O)n1 ZINC001164800820 721603223 /nfs/dbraw/zinc/60/32/23/721603223.db2.gz OQXCCILHDCREMC-RPWUZVMVSA-N 1 1 465.598 2.512 20 0 JFADMO COC(=O)C1CCN(c2nccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907651 721714248 /nfs/dbraw/zinc/71/42/48/721714248.db2.gz SGYYPYGASTYDHU-XMMPIXPASA-N 1 1 486.567 2.999 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908155 721721402 /nfs/dbraw/zinc/72/14/02/721721402.db2.gz WBNJCBVDWATTPG-VTLMBFNKSA-N 1 1 479.553 2.523 20 0 JFADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908155 721721405 /nfs/dbraw/zinc/72/14/05/721721405.db2.gz WBNJCBVDWATTPG-VTLMBFNKSA-N 1 1 479.553 2.523 20 0 JFADMO O=S(=O)(NC1CC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164913069 721725271 /nfs/dbraw/zinc/72/52/71/721725271.db2.gz RYJJJJJJJQYVFK-OAQYLSRUSA-N 1 1 463.554 2.655 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CC1 ZINC001165013271 721747485 /nfs/dbraw/zinc/74/74/85/721747485.db2.gz WGMVMNNJZAASTE-UHFFFAOYSA-N 1 1 454.909 2.853 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@@H]4C3)c2)CC1 ZINC001165012818 721754206 /nfs/dbraw/zinc/75/42/06/721754206.db2.gz HKCDOTADYQWMHM-SDHOMARFSA-N 1 1 479.625 2.540 20 0 JFADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001164909471 721762638 /nfs/dbraw/zinc/76/26/38/721762638.db2.gz APCMDOYXQJTJHC-UHFFFAOYSA-N 1 1 462.554 2.568 20 0 JFADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)NC3CCOCC3)nn1)C2 ZINC001164909471 721762639 /nfs/dbraw/zinc/76/26/39/721762639.db2.gz APCMDOYXQJTJHC-UHFFFAOYSA-N 1 1 462.554 2.568 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015564 721766231 /nfs/dbraw/zinc/76/62/31/721766231.db2.gz RAOUVATZEPFIEA-QFIPXVFZSA-N 1 1 476.629 2.941 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914103 721783067 /nfs/dbraw/zinc/78/30/67/721783067.db2.gz BSRDWMBZPIGAHQ-XMMPIXPASA-N 1 1 483.956 2.573 20 0 JFADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914103 721783071 /nfs/dbraw/zinc/78/30/71/721783071.db2.gz BSRDWMBZPIGAHQ-XMMPIXPASA-N 1 1 483.956 2.573 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCOC[C@]4(CN(C(=O)C(C)C)CCO4)C3)c2c1C ZINC001165023609 721787655 /nfs/dbraw/zinc/78/76/55/721787655.db2.gz PSCJWKUMUROYSY-RUZDIDTESA-N 1 1 487.670 2.994 20 0 JFADMO COC(=O)c1cc2c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c(Cl)cc-2n1 ZINC001164916071 721790246 /nfs/dbraw/zinc/79/02/46/721790246.db2.gz OTYLOXGVKREZPX-QHCPKHFHSA-N 1 1 471.945 2.506 20 0 JFADMO COC(=O)c1cc2c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c(Cl)cc-2n1 ZINC001164916071 721790249 /nfs/dbraw/zinc/79/02/49/721790249.db2.gz OTYLOXGVKREZPX-QHCPKHFHSA-N 1 1 471.945 2.506 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164913683 721792360 /nfs/dbraw/zinc/79/23/60/721792360.db2.gz FUCASGMIPMGEDY-VWLOTQADSA-N 1 1 497.983 2.963 20 0 JFADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164913683 721792361 /nfs/dbraw/zinc/79/23/61/721792361.db2.gz FUCASGMIPMGEDY-VWLOTQADSA-N 1 1 497.983 2.963 20 0 JFADMO Cc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164913454 721793954 /nfs/dbraw/zinc/79/39/54/721793954.db2.gz DHKZQPXEMMXTSF-XMMPIXPASA-N 1 1 451.596 2.991 20 0 JFADMO Cc1nc2sc3c(c2c(N2CCO[C@]4(C2)COCC[N@@H+](Cc2cccnc2)C4)n1)CCC3 ZINC001164913454 721793955 /nfs/dbraw/zinc/79/39/55/721793955.db2.gz DHKZQPXEMMXTSF-XMMPIXPASA-N 1 1 451.596 2.991 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1C ZINC001164913381 721793966 /nfs/dbraw/zinc/79/39/66/721793966.db2.gz CPIFMOSCQFXZCT-VWLOTQADSA-N 1 1 497.621 2.988 20 0 JFADMO CCOC(=O)c1sc2nc(C)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1C ZINC001164913381 721793967 /nfs/dbraw/zinc/79/39/67/721793967.db2.gz CPIFMOSCQFXZCT-VWLOTQADSA-N 1 1 497.621 2.988 20 0 JFADMO COCCN1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1=O ZINC001164922028 721844054 /nfs/dbraw/zinc/84/40/54/721844054.db2.gz PSXPVTIHWQYNFO-RTBURBONSA-N 1 1 473.643 2.604 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]2C1=O ZINC001164920533 721844058 /nfs/dbraw/zinc/84/40/58/721844058.db2.gz KDIUHNDDKVAEQQ-QUCCMNQESA-N 1 1 499.681 2.866 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC[C@@H]2C1=O ZINC001164922026 721844075 /nfs/dbraw/zinc/84/40/75/721844075.db2.gz PSXPVTIHWQYNFO-OALUTQOASA-N 1 1 473.643 2.604 20 0 JFADMO COCCN1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)CC[C@H]2C1=O ZINC001164920940 721844209 /nfs/dbraw/zinc/84/42/09/721844209.db2.gz LWVAETSMAPWHEJ-UXHICEINSA-N 1 1 487.670 2.994 20 0 JFADMO CCOC(=O)C[C@@H]1C(=O)NCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001165034979 721875859 /nfs/dbraw/zinc/87/58/59/721875859.db2.gz RNRFDSXSXLRJKY-NVXWUHKLSA-N 1 1 471.627 2.670 20 0 JFADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@H]12)NC1CCC1 ZINC001164934658 721895898 /nfs/dbraw/zinc/89/58/98/721895898.db2.gz RSCHYULAZSXNNE-XTJBDQBJSA-N 1 1 461.610 2.935 20 0 JFADMO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@H]12)NC1CCC1 ZINC001164934658 721895901 /nfs/dbraw/zinc/89/59/01/721895901.db2.gz RSCHYULAZSXNNE-XTJBDQBJSA-N 1 1 461.610 2.935 20 0 JFADMO COc1ccc(CN(C)c2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)n2)cc1 ZINC001164935407 721909607 /nfs/dbraw/zinc/90/96/07/721909607.db2.gz HXQNAUCWFKCZPG-UHFFFAOYSA-N 1 1 477.613 2.727 20 0 JFADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)NC(C)C)cn4)CC3)C2)cc1 ZINC001164938987 721931449 /nfs/dbraw/zinc/93/14/49/721931449.db2.gz FZIQOWUYSHFTSX-UHFFFAOYSA-N 1 1 458.628 2.948 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)c2c1C ZINC001164947302 721989441 /nfs/dbraw/zinc/98/94/41/721989441.db2.gz CHDGWZBJZQSEOF-OALUTQOASA-N 1 1 492.715 2.859 20 0 JFADMO COC(=O)C1CCN(c2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956088 722019765 /nfs/dbraw/zinc/01/97/65/722019765.db2.gz WHIVUGPIKMFRLE-UHFFFAOYSA-N 1 1 450.587 2.754 20 0 JFADMO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@@H]32)cn1 ZINC001164956694 722031049 /nfs/dbraw/zinc/03/10/49/722031049.db2.gz IDISEGMPSSPDPE-USZFVNFHSA-N 1 1 486.620 2.645 20 0 JFADMO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)N1CCCCC1 ZINC001164959972 722060973 /nfs/dbraw/zinc/06/09/73/722060973.db2.gz BBYPUKDPKYKAHU-UHFFFAOYSA-N 1 1 485.654 2.770 20 0 JFADMO Cn1cc(N2C[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2=O)cn1 ZINC001164973614 722095661 /nfs/dbraw/zinc/09/56/61/722095661.db2.gz BELJHLONLCODSA-VQIMIIECSA-N 1 1 477.638 2.999 20 0 JFADMO c1cc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980696 722105123 /nfs/dbraw/zinc/10/51/23/722105123.db2.gz JYDSZVHWVMTBDF-FPOVZHCZSA-N 1 1 466.611 2.650 20 0 JFADMO c1ccc2nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982506 722115881 /nfs/dbraw/zinc/11/58/81/722115881.db2.gz WUFFTLFVMBLEJR-URXFXBBRSA-N 1 1 460.582 2.589 20 0 JFADMO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982704 722125074 /nfs/dbraw/zinc/12/50/74/722125074.db2.gz XSOPVADRLWCLLK-ZWKOTPCHSA-N 1 1 479.412 2.742 20 0 JFADMO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981891 722127006 /nfs/dbraw/zinc/12/70/06/722127006.db2.gz VKDMSFJGAZIKDA-MAUKXSAKSA-N 1 1 456.934 2.520 20 0 JFADMO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974190 722144076 /nfs/dbraw/zinc/14/40/76/722144076.db2.gz CMNUEPWHSCHMKL-FYYLOGMGSA-N 1 1 473.643 2.528 20 0 JFADMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(=O)OCC ZINC001164977121 722157878 /nfs/dbraw/zinc/15/78/78/722157878.db2.gz XDTFCBMIPWXQFI-PZJWPPBQSA-N 1 1 468.554 2.557 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(c5ccccc5)CCN(S(C)(=O)=O)[C@@H]4C3)c2)CC1 ZINC001164992005 722187276 /nfs/dbraw/zinc/18/72/76/722187276.db2.gz RHWDRYYGUZJIRX-ILBGXUMGSA-N 1 1 470.639 2.737 20 0 JFADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4ccc(=O)n(CC(=O)N(C)C)c4CC3)c2c1C ZINC001164991506 722188855 /nfs/dbraw/zinc/18/88/55/722188855.db2.gz RPXIHAKRHPYJOU-UHFFFAOYSA-N 1 1 494.665 2.759 20 0 JFADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(CC(=O)N(c5ccc6c(c5)OCO6)C4)C3)c2)CC1 ZINC001164998990 722220424 /nfs/dbraw/zinc/22/04/24/722220424.db2.gz NRXGXNXNDPMABM-RUZDIDTESA-N 1 1 450.539 2.917 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ccn4Cc2cccc(F)c2)CC3)CC1 ZINC001164997645 722234255 /nfs/dbraw/zinc/23/42/55/722234255.db2.gz SVVYDEJRWGTWPB-UHFFFAOYSA-N 1 1 472.572 2.766 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)CC1 ZINC001164996711 722235726 /nfs/dbraw/zinc/23/57/26/722235726.db2.gz IDTRUKHQURBKGP-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)CC1 ZINC001165001569 722238230 /nfs/dbraw/zinc/23/82/30/722238230.db2.gz JDKUFDFFVABHLJ-UHFFFAOYSA-N 1 1 459.932 2.975 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002751 722241632 /nfs/dbraw/zinc/24/16/32/722241632.db2.gz FVEJXHRINLQEFW-KNQAVFIVSA-N 1 1 460.586 2.681 20 0 JFADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002755 722241734 /nfs/dbraw/zinc/24/17/34/722241734.db2.gz FVEJXHRINLQEFW-UGKGYDQZSA-N 1 1 460.586 2.681 20 0 JFADMO CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)[nH+]cc21 ZINC001165008260 722267637 /nfs/dbraw/zinc/26/76/37/722267637.db2.gz WHPHKFNSTJPDMG-DEOSSOPVSA-N 1 1 451.502 2.806 20 0 JFADMO CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001299739979 1059477189 /nfs/dbraw/zinc/47/71/89/1059477189.db2.gz IYJGMOVVBPCBCJ-AXHZCLLHSA-N 1 1 464.655 2.700 20 0 JFADMO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001264017296 1059505700 /nfs/dbraw/zinc/50/57/00/1059505700.db2.gz JEQBPUWQKSVTCM-ZBLYBZFDSA-N 1 1 473.577 2.909 20 0 JFADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3ncc(I)n3c2)C[C@@H](C)O1 ZINC001264317287 1059568910 /nfs/dbraw/zinc/56/89/10/1059568910.db2.gz GNWPTAJJHLEQOZ-CHWSQXEVSA-N 1 1 456.328 2.557 20 0 JFADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)cc2)CC1 ZINC001264799698 1059682943 /nfs/dbraw/zinc/68/29/43/1059682943.db2.gz PTCVKPOEIKQEPC-UHFFFAOYSA-N 1 1 458.444 2.926 20 0 JFADMO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC001264872367 1059712188 /nfs/dbraw/zinc/71/21/88/1059712188.db2.gz JNZGVUPFQVYHEA-AWEZNQCLSA-N 1 1 454.017 2.973 20 0 JFADMO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC001264872367 1059712203 /nfs/dbraw/zinc/71/22/03/1059712203.db2.gz JNZGVUPFQVYHEA-AWEZNQCLSA-N 1 1 454.017 2.973 20 0 JFADMO CO[C@@H]1C[C@H](C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)N(C(=O)OCc2ccccc2)C1 ZINC001264874037 1059712981 /nfs/dbraw/zinc/71/29/81/1059712981.db2.gz LGEVBTXIMVVJSK-CTUHWIOQSA-N 1 1 451.567 2.976 20 0 JFADMO CCOC(=O)C1CCC(CC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC001264953877 1059737954 /nfs/dbraw/zinc/73/79/54/1059737954.db2.gz WYWAPFQLWBQUGL-UHFFFAOYSA-N 1 1 458.603 2.595 20 0 JFADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC001265053754 1059757827 /nfs/dbraw/zinc/75/78/27/1059757827.db2.gz FVWGZHXEOGNGLS-YADHBBJMSA-N 1 1 459.616 2.656 20 0 JFADMO C[NH+](C)[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC001265217800 1059797310 /nfs/dbraw/zinc/79/73/10/1059797310.db2.gz IMKRQNYTWFLPLJ-INIZCTEOSA-N 1 1 455.930 2.758 20 0 JFADMO CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001265246724 1059804987 /nfs/dbraw/zinc/80/49/87/1059804987.db2.gz DECHTXLXYZGQEH-SFHVURJKSA-N 1 1 453.543 2.850 20 0 JFADMO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC001265393904 1059842035 /nfs/dbraw/zinc/84/20/35/1059842035.db2.gz MDKJNSMYLRNRLF-KOSHJBKYSA-N 1 1 452.555 2.524 20 0 JFADMO C[C@@H](NC(=O)c1cncc(I)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001265400119 1059844214 /nfs/dbraw/zinc/84/42/14/1059844214.db2.gz LSGNDWGKJAPFKA-RDTXWAMCSA-N 1 1 451.308 2.706 20 0 JFADMO C[C@@H](NC(=O)c1cncc(I)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001265400119 1059844236 /nfs/dbraw/zinc/84/42/36/1059844236.db2.gz LSGNDWGKJAPFKA-RDTXWAMCSA-N 1 1 451.308 2.706 20 0 JFADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cc1 ZINC001265595645 1059894618 /nfs/dbraw/zinc/89/46/18/1059894618.db2.gz FNOUZBDOLZGAQB-CQSZACIVSA-N 1 1 459.344 2.941 20 0 JFADMO CC(C)n1ncc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1I ZINC001265596136 1059895204 /nfs/dbraw/zinc/89/52/04/1059895204.db2.gz VVKARCIDLMQDPM-UHFFFAOYSA-N 1 1 455.300 2.821 20 0 JFADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1noc2ccc(Br)cc12 ZINC001265662276 1059907265 /nfs/dbraw/zinc/90/72/65/1059907265.db2.gz ZTYYMSOBDWFWNJ-OAHLLOKOSA-N 1 1 458.360 2.855 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=CC[C@H](NC(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001265681076 1059909321 /nfs/dbraw/zinc/90/93/21/1059909321.db2.gz GLVTXTSGGUCJCW-NRFANRHFSA-N 1 1 456.587 2.945 20 0 JFADMO CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC001265681181 1059909881 /nfs/dbraw/zinc/90/98/81/1059909881.db2.gz JUTWGENABMBGHF-UHFFFAOYSA-N 1 1 457.596 2.611 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC001265849933 1059936037 /nfs/dbraw/zinc/93/60/37/1059936037.db2.gz LLFQBTZHGIDRON-VQDLLJBESA-N 1 1 451.546 2.519 20 0 JFADMO C[C@@H]1CN(c2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2)C[C@H](C)O1 ZINC001265876587 1059938192 /nfs/dbraw/zinc/93/81/92/1059938192.db2.gz IVWRHIKMNBKCTO-KDURUIRLSA-N 1 1 458.006 2.901 20 0 JFADMO C[C@@H]1CN(c2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2)C[C@@H](C)O1 ZINC001265876589 1059938725 /nfs/dbraw/zinc/93/87/25/1059938725.db2.gz IVWRHIKMNBKCTO-RTBURBONSA-N 1 1 458.006 2.901 20 0 JFADMO CO[C@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc[nH+]c2C)CC1 ZINC001299748109 1059963025 /nfs/dbraw/zinc/96/30/25/1059963025.db2.gz AKECHFZXDWIPNW-HSZRJFAPSA-N 1 1 472.615 2.949 20 0 JFADMO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)CC1 ZINC001279365168 1059983244 /nfs/dbraw/zinc/98/32/44/1059983244.db2.gz RIDWZNZSAHNEIS-VHYCJAOWSA-N 1 1 459.631 2.693 20 0 JFADMO C=Cc1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CCOCC)CC2)cc1 ZINC001286648907 1060765147 /nfs/dbraw/zinc/76/51/47/1060765147.db2.gz GVWINRSOHFYFIQ-UHFFFAOYSA-N 1 1 452.603 2.558 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286837543 1061092500 /nfs/dbraw/zinc/09/25/00/1061092500.db2.gz DRUAWWDKFMDFTD-IBGZPJMESA-N 1 1 496.660 2.883 20 0 JFADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C ZINC001286839672 1061098010 /nfs/dbraw/zinc/09/80/10/1061098010.db2.gz VKOULBMXMIKSDB-YCOULBNXSA-N 1 1 460.648 2.912 20 0 JFADMO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001286843695 1061123721 /nfs/dbraw/zinc/12/37/21/1061123721.db2.gz CONLTKMJWIHZNJ-HHHXNRCGSA-N 1 1 498.672 2.803 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286847370 1061157100 /nfs/dbraw/zinc/15/71/00/1061157100.db2.gz XKLMUWAWYYMPLJ-IRLDBZIGSA-N 1 1 496.660 2.742 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001286847880 1061161321 /nfs/dbraw/zinc/16/13/21/1061161321.db2.gz CJGUPXJBDVHGRU-BJKOFHAPSA-N 1 1 484.693 2.812 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001286847920 1061162097 /nfs/dbraw/zinc/16/20/97/1061162097.db2.gz DNNICVWUDPOMLK-UEVCKROQSA-N 1 1 454.619 2.607 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286849055 1061167428 /nfs/dbraw/zinc/16/74/28/1061167428.db2.gz SZYLLRCEKRNQOG-SFTDATJTSA-N 1 1 472.609 2.626 20 0 JFADMO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)C1 ZINC001286854325 1061202860 /nfs/dbraw/zinc/20/28/60/1061202860.db2.gz JARODZJOJXFPPT-NJYVYQBISA-N 1 1 491.681 2.694 20 0 JFADMO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cc[nH+]c2C)C1 ZINC001286854588 1061204466 /nfs/dbraw/zinc/20/44/66/1061204466.db2.gz NFPJGENJJPBOIS-PWRODBHTSA-N 1 1 457.623 2.706 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCCNS(C)(=O)=O)o1 ZINC001289585419 1061229281 /nfs/dbraw/zinc/22/92/81/1061229281.db2.gz MNXCBADHESCYEX-ICSRJNTNSA-N 1 1 478.663 2.877 20 0 JFADMO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001289587109 1061231622 /nfs/dbraw/zinc/23/16/22/1061231622.db2.gz VWYYPWIOQLLMJU-WSTZPKSXSA-N 1 1 478.663 2.733 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)o1 ZINC001289599778 1061243614 /nfs/dbraw/zinc/24/36/14/1061243614.db2.gz FWCNXVCCSWWRJM-VQTJNVASSA-N 1 1 471.650 2.614 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)o1 ZINC001289599779 1061243834 /nfs/dbraw/zinc/24/38/34/1061243834.db2.gz FWCNXVCCSWWRJM-WOJBJXKFSA-N 1 1 471.650 2.614 20 0 JFADMO Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001289600010 1061244319 /nfs/dbraw/zinc/24/43/19/1061244319.db2.gz HBFKZFSHJFQDDU-FQEVSTJZSA-N 1 1 471.650 2.711 20 0 JFADMO Cc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC001289613238 1061255419 /nfs/dbraw/zinc/25/54/19/1061255419.db2.gz NQZTYCZZHOSJAT-HLIPFELVSA-N 1 1 478.435 2.944 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C)CC1 ZINC001286868932 1061259378 /nfs/dbraw/zinc/25/93/78/1061259378.db2.gz CRFXISLRXZZIMV-IERDGZPVSA-N 1 1 480.535 2.912 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286870541 1061266473 /nfs/dbraw/zinc/26/64/73/1061266473.db2.gz BXVPSWSMSZAZGQ-FPOVZHCZSA-N 1 1 488.608 2.583 20 0 JFADMO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC001289635009 1061268754 /nfs/dbraw/zinc/26/87/54/1061268754.db2.gz MJKGRYHOHNSZFD-HSZRJFAPSA-N 1 1 489.045 2.934 20 0 JFADMO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC001289635010 1061269156 /nfs/dbraw/zinc/26/91/56/1061269156.db2.gz MJKGRYHOHNSZFD-QHCPKHFHSA-N 1 1 489.045 2.934 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286871194 1061270882 /nfs/dbraw/zinc/27/08/82/1061270882.db2.gz MREQZFMAEKBXCG-YEEURNOCSA-N 1 1 499.704 2.850 20 0 JFADMO Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC001289651694 1061275578 /nfs/dbraw/zinc/27/55/78/1061275578.db2.gz QVFLAOFLOALUBA-SFHVURJKSA-N 1 1 460.648 2.908 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@H]2C)CC1 ZINC001286872201 1061277517 /nfs/dbraw/zinc/27/75/17/1061277517.db2.gz TXBPHQFIAZWGPN-ZJSXRUAMSA-N 1 1 490.693 2.614 20 0 JFADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286872905 1061282415 /nfs/dbraw/zinc/28/24/15/1061282415.db2.gz VXUWMOYLAGMIPY-AABGKKOBSA-N 1 1 488.608 2.583 20 0 JFADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001286872970 1061283982 /nfs/dbraw/zinc/28/39/82/1061283982.db2.gz ZLBVUXLEZNYKJX-SIKLNZKXSA-N 1 1 471.675 2.861 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286881825 1061307415 /nfs/dbraw/zinc/30/74/15/1061307415.db2.gz COGKDHAGWGVDKE-IBGZPJMESA-N 1 1 491.036 2.680 20 0 JFADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001286884476 1061318882 /nfs/dbraw/zinc/31/88/82/1061318882.db2.gz PYQSCRRGIJLALL-KRWDZBQOSA-N 1 1 459.664 2.955 20 0 JFADMO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1C ZINC001289713689 1061320680 /nfs/dbraw/zinc/32/06/80/1061320680.db2.gz BCPATJMTZPTKDV-XMMPIXPASA-N 1 1 497.688 2.597 20 0 JFADMO Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001289713750 1061321357 /nfs/dbraw/zinc/32/13/57/1061321357.db2.gz CKDBJTRDBCQXBW-UHFFFAOYSA-N 1 1 450.591 2.565 20 0 JFADMO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCn2cc[nH+]c2C)CC1 ZINC001286884996 1061321923 /nfs/dbraw/zinc/32/19/23/1061321923.db2.gz ZDRWTYCMMNKMAG-UHFFFAOYSA-N 1 1 451.575 2.738 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3ccc(O)cc3)C[C@H]2C)CC1 ZINC001286886102 1061327183 /nfs/dbraw/zinc/32/71/83/1061327183.db2.gz ASGGKSZCRYOBAN-XMSQKQJNSA-N 1 1 454.619 2.513 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H]2CCCn3cc[nH+]c32)cc1C ZINC001289721608 1061328700 /nfs/dbraw/zinc/32/87/00/1061328700.db2.gz MPVOHTNNOJEGPK-ZWKOTPCHSA-N 1 1 464.574 2.621 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3CCC(C)(C)O)C[C@H]2C)CC1 ZINC001286886643 1061330194 /nfs/dbraw/zinc/33/01/94/1061330194.db2.gz GQNNPZJZZQAGMD-ZJSXRUAMSA-N 1 1 498.672 2.624 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccncc3Cl)C[C@@H]2C)CC1 ZINC001286886782 1061331498 /nfs/dbraw/zinc/33/14/98/1061331498.db2.gz IPTKRRFPUIHMNB-UWJYYQICSA-N 1 1 460.026 2.562 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887109 1061333357 /nfs/dbraw/zinc/33/33/57/1061333357.db2.gz NHMQLSFXSVOGEK-DOTOQJQBSA-N 1 1 462.586 2.686 20 0 JFADMO Cc1c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001289726126 1061333929 /nfs/dbraw/zinc/33/39/29/1061333929.db2.gz DKEBSXVHAVPTNN-BGYRXZFFSA-N 1 1 494.644 2.783 20 0 JFADMO Cc1c(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC001289726126 1061333950 /nfs/dbraw/zinc/33/39/50/1061333950.db2.gz DKEBSXVHAVPTNN-BGYRXZFFSA-N 1 1 494.644 2.783 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCSCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887111 1061334132 /nfs/dbraw/zinc/33/41/32/1061334132.db2.gz NHMQLSFXSVOGEK-RDJZCZTQSA-N 1 1 462.586 2.686 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CCC(C)(C)O)cc1C ZINC001289726155 1061334544 /nfs/dbraw/zinc/33/45/44/1061334544.db2.gz FKMPZOLDLBXHEF-UHFFFAOYSA-N 1 1 472.634 2.855 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CCC(C)(C)O)cc1C ZINC001289726155 1061334565 /nfs/dbraw/zinc/33/45/65/1061334565.db2.gz FKMPZOLDLBXHEF-UHFFFAOYSA-N 1 1 472.634 2.855 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C[C@H]2C)CC1 ZINC001286887189 1061334378 /nfs/dbraw/zinc/33/43/78/1061334378.db2.gz OOXFCRQQHXSTQJ-BEFAXECRSA-N 1 1 478.439 2.681 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3cccs3)C[C@@H]2C)CC1 ZINC001286887217 1061335172 /nfs/dbraw/zinc/33/51/72/1061335172.db2.gz PGMSRRMRJXFXGT-NNPDTBDGSA-N 1 1 488.702 2.825 20 0 JFADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286887407 1061336270 /nfs/dbraw/zinc/33/62/70/1061336270.db2.gz QTZWDJYRQJUAOI-URXFXBBRSA-N 1 1 468.646 2.853 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887520 1061337149 /nfs/dbraw/zinc/33/71/49/1061337149.db2.gz SCFDUCDTQQPFFG-QFBILLFUSA-N 1 1 497.591 2.506 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001286887777 1061337966 /nfs/dbraw/zinc/33/79/66/1061337966.db2.gz UQLRVISYVVFSJT-QFBILLFUSA-N 1 1 467.540 2.615 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001286888520 1061341567 /nfs/dbraw/zinc/34/15/67/1061341567.db2.gz BDLJBHCKIQRHHO-UHFFFAOYSA-N 1 1 475.519 2.964 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3Cc3cccc(OCC(C)C)c3)C[C@H]2C)CC1 ZINC001286888459 1061341797 /nfs/dbraw/zinc/34/17/97/1061341797.db2.gz YYJCAJCTHSIEAJ-NTKDMRAZSA-N 1 1 454.619 2.658 20 0 JFADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3C[C@](C)(O)CCC(C)C)C[C@H]2C)CC1 ZINC001286888610 1061342027 /nfs/dbraw/zinc/34/20/27/1061342027.db2.gz ZQVPHQWLTCUHLS-OPJGWUQDSA-N 1 1 460.667 2.722 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289735819 1061348718 /nfs/dbraw/zinc/34/87/18/1061348718.db2.gz UBKAAHOZQOQVSW-VGSWGCGISA-N 1 1 480.535 2.993 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001286889806 1061350771 /nfs/dbraw/zinc/35/07/71/1061350771.db2.gz MALTWXJBCCPOPN-LJQANCHMSA-N 1 1 492.571 2.573 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@H+](C)C(C)C)cc1C ZINC001289738434 1061350907 /nfs/dbraw/zinc/35/09/07/1061350907.db2.gz NDYFTSPWAMTAPS-IBGZPJMESA-N 1 1 455.607 2.579 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001286889804 1061351053 /nfs/dbraw/zinc/35/10/53/1061351053.db2.gz LZDCHQMYAYYTCL-QGZVFWFLSA-N 1 1 492.571 2.714 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Br)c3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001286889835 1061351479 /nfs/dbraw/zinc/35/14/79/1061351479.db2.gz MXXZUKVMIGHUEN-IRXDYDNUSA-N 1 1 475.435 2.964 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289741241 1061356519 /nfs/dbraw/zinc/35/65/19/1061356519.db2.gz TZQVHECFLJHTFC-YLJYHZDGSA-N 1 1 467.618 2.546 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001286890710 1061356582 /nfs/dbraw/zinc/35/65/82/1061356582.db2.gz CDYKJFYXPIPKCK-UHFFFAOYSA-N 1 1 465.524 2.673 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001289742579 1061358571 /nfs/dbraw/zinc/35/85/71/1061358571.db2.gz CALYMTLCZYNSNA-QGZVFWFLSA-N 1 1 484.548 2.921 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1C ZINC001289742579 1061358591 /nfs/dbraw/zinc/35/85/91/1061358591.db2.gz CALYMTLCZYNSNA-QGZVFWFLSA-N 1 1 484.548 2.921 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccn3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001286891293 1061359218 /nfs/dbraw/zinc/35/92/18/1061359218.db2.gz HTDUDGKKOPPHNQ-UHFFFAOYSA-N 1 1 471.968 2.933 20 0 JFADMO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CCCO2)cc1C ZINC001289744557 1061362708 /nfs/dbraw/zinc/36/27/08/1061362708.db2.gz ZMPACRVLVCFXMJ-JOCHJYFZSA-N 1 1 470.618 2.873 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001286891934 1061363061 /nfs/dbraw/zinc/36/30/61/1061363061.db2.gz QPUWQRLZORXGAQ-MRXNPFEDSA-N 1 1 457.529 2.913 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001286891932 1061363146 /nfs/dbraw/zinc/36/31/46/1061363146.db2.gz QPUWQRLZORXGAQ-INIZCTEOSA-N 1 1 457.529 2.913 20 0 JFADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCCOCC2)CC1 ZINC001286892155 1061363537 /nfs/dbraw/zinc/36/35/37/1061363537.db2.gz SLFLQAQDQVZDRO-UHFFFAOYSA-N 1 1 467.401 2.643 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(C3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cn1 ZINC001286895009 1061373807 /nfs/dbraw/zinc/37/38/07/1061373807.db2.gz DNDUIENFNQFHKL-UHFFFAOYSA-N 1 1 455.607 2.884 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001286895219 1061374802 /nfs/dbraw/zinc/37/48/02/1061374802.db2.gz PPHPTFWJOCHYTC-YADARESESA-N 1 1 495.672 2.862 20 0 JFADMO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895675 1061376049 /nfs/dbraw/zinc/37/60/49/1061376049.db2.gz YOGBNEQFVULYNB-CJFMBICVSA-N 1 1 495.672 2.862 20 0 JFADMO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289754559 1061376241 /nfs/dbraw/zinc/37/62/41/1061376241.db2.gz SVGIUNARGLHUAB-IFMALSPDSA-N 1 1 470.618 2.871 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(N3C[C@H](C)[C@H]([NH+]4CCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)c1 ZINC001286896995 1061381024 /nfs/dbraw/zinc/38/10/24/1061381024.db2.gz KPUCPHMWMUSJHU-FDDCHVKYSA-N 1 1 481.645 2.571 20 0 JFADMO Cc1ccc(O[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001289761089 1061383362 /nfs/dbraw/zinc/38/33/62/1061383362.db2.gz XGALFOMZJOAZFA-UNMCSNQZSA-N 1 1 484.645 2.800 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001286898577 1061385838 /nfs/dbraw/zinc/38/58/38/1061385838.db2.gz GTCQEIXVUGDYQN-UHFFFAOYSA-N 1 1 478.601 2.536 20 0 JFADMO CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001286899352 1061388568 /nfs/dbraw/zinc/38/85/68/1061388568.db2.gz OWBRWYZYYBCTET-UHFFFAOYSA-N 1 1 467.618 2.878 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001289772160 1061392935 /nfs/dbraw/zinc/39/29/35/1061392935.db2.gz FNKVRJZBRZWBBF-OALUTQOASA-N 1 1 461.632 2.519 20 0 JFADMO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001289773154 1061394099 /nfs/dbraw/zinc/39/40/99/1061394099.db2.gz BIMYSYPYHCMFHB-QFIPXVFZSA-N 1 1 484.645 2.725 20 0 JFADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001286902412 1061397405 /nfs/dbraw/zinc/39/74/05/1061397405.db2.gz AAXNUOSWWWXQSN-HMGIHFHHSA-N 1 1 476.666 2.557 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001289793365 1061428535 /nfs/dbraw/zinc/42/85/35/1061428535.db2.gz ZOUYXSLSLNCYOQ-HXUWFJFHSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001289793364 1061428581 /nfs/dbraw/zinc/42/85/81/1061428581.db2.gz ZOUYXSLSLNCYOQ-FQEVSTJZSA-N 1 1 454.619 2.954 20 0 JFADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001286906768 1061430629 /nfs/dbraw/zinc/43/06/29/1061430629.db2.gz GLZUMGLEWITZEQ-YADHBBJMSA-N 1 1 475.037 2.940 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001286907351 1061435670 /nfs/dbraw/zinc/43/56/70/1061435670.db2.gz QWDMDKMHANAPPU-JXFKEZNVSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001286907351 1061435679 /nfs/dbraw/zinc/43/56/79/1061435679.db2.gz QWDMDKMHANAPPU-JXFKEZNVSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001286907357 1061436595 /nfs/dbraw/zinc/43/65/95/1061436595.db2.gz QWDMDKMHANAPPU-UZLBHIALSA-N 1 1 491.434 2.533 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001286907357 1061436605 /nfs/dbraw/zinc/43/66/05/1061436605.db2.gz QWDMDKMHANAPPU-UZLBHIALSA-N 1 1 491.434 2.533 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001289804634 1061440880 /nfs/dbraw/zinc/44/08/80/1061440880.db2.gz BFFLFVNVSWWGRY-UHFFFAOYSA-N 1 1 470.662 2.709 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[NH+]2CCCCC2)cc1C ZINC001289808574 1061450540 /nfs/dbraw/zinc/45/05/40/1061450540.db2.gz JLKKDRRNIYMDGE-UHFFFAOYSA-N 1 1 475.659 2.973 20 0 JFADMO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001286910202 1061455244 /nfs/dbraw/zinc/45/52/44/1061455244.db2.gz DGSCFAAKZRUWJN-UPVQGACJSA-N 1 1 484.645 2.627 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001289812940 1061463696 /nfs/dbraw/zinc/46/36/96/1061463696.db2.gz XWEGBHDUZVSCAR-FPOVZHCZSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289818154 1061474229 /nfs/dbraw/zinc/47/42/29/1061474229.db2.gz KOYMAAQHROUUKI-IRLDBZIGSA-N 1 1 475.659 2.972 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001289818591 1061476110 /nfs/dbraw/zinc/47/61/10/1061476110.db2.gz DUYSTMOBCAHOBX-HSZRJFAPSA-N 1 1 498.672 2.707 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC001286914163 1061479021 /nfs/dbraw/zinc/47/90/21/1061479021.db2.gz AQBTXRSLOFRKFY-IBGZPJMESA-N 1 1 468.646 2.950 20 0 JFADMO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC001286914163 1061479029 /nfs/dbraw/zinc/47/90/29/1061479029.db2.gz AQBTXRSLOFRKFY-IBGZPJMESA-N 1 1 468.646 2.950 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001289820416 1061481685 /nfs/dbraw/zinc/48/16/85/1061481685.db2.gz DNWKEJLOUKMAQC-NRFANRHFSA-N 1 1 454.619 2.954 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001289826303 1061501644 /nfs/dbraw/zinc/50/16/44/1061501644.db2.gz SWPJVWUWUUIZSY-UHFFFAOYSA-N 1 1 491.631 2.579 20 0 JFADMO Cc1[nH+]ccn1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001289826583 1061502128 /nfs/dbraw/zinc/50/21/28/1061502128.db2.gz ZBHUROORGBUMCT-UHFFFAOYSA-N 1 1 451.575 2.675 20 0 JFADMO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289833000 1061509346 /nfs/dbraw/zinc/50/93/46/1061509346.db2.gz CIEPGQUCQDQONJ-RXVVDRJESA-N 1 1 475.659 2.829 20 0 JFADMO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289846491 1061520256 /nfs/dbraw/zinc/52/02/56/1061520256.db2.gz MXWXBQPKKBXQRS-HSZRJFAPSA-N 1 1 467.618 2.859 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286922314 1061521979 /nfs/dbraw/zinc/52/19/79/1061521979.db2.gz SFZICDVEKOCXLD-QGZVFWFLSA-N 1 1 476.423 2.650 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001286923333 1061525769 /nfs/dbraw/zinc/52/57/69/1061525769.db2.gz JKNJUKOGHSJRJD-LADGPHEKSA-N 1 1 495.672 2.549 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001289854933 1061526182 /nfs/dbraw/zinc/52/61/82/1061526182.db2.gz QEKJUPFMJLZVRS-IBGZPJMESA-N 1 1 485.658 2.758 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001286923658 1061527296 /nfs/dbraw/zinc/52/72/96/1061527296.db2.gz PGPLGAZPGGUPAC-NRFANRHFSA-N 1 1 465.577 2.964 20 0 JFADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286923944 1061528282 /nfs/dbraw/zinc/52/82/82/1061528282.db2.gz UEONACUYCSPXEB-QUCCMNQESA-N 1 1 454.623 2.598 20 0 JFADMO Cc1ccc(S(=O)(=O)NCCn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)C)CC2)s1 ZINC001289855563 1061529774 /nfs/dbraw/zinc/52/97/74/1061529774.db2.gz FZUSCTHIBZJTKK-UHFFFAOYSA-N 1 1 491.687 2.553 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001286924606 1061531142 /nfs/dbraw/zinc/53/11/42/1061531142.db2.gz BJGMUAITKIKSLY-PKTZIBPZSA-N 1 1 470.666 2.613 20 0 JFADMO CC(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001286925963 1061536635 /nfs/dbraw/zinc/53/66/35/1061536635.db2.gz GMSYZAITWACDIN-RCZVLFRGSA-N 1 1 482.673 2.917 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC001289862497 1061544539 /nfs/dbraw/zinc/54/45/39/1061544539.db2.gz HPOORPNYZZBUTC-SFHVURJKSA-N 1 1 489.671 2.638 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCOC2)cc1 ZINC001289863125 1061546408 /nfs/dbraw/zinc/54/64/08/1061546408.db2.gz OHQFERKJEOMVCD-DEOSSOPVSA-N 1 1 475.659 2.577 20 0 JFADMO Cc1ccc(SCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@]2(O)CCOC2)cc1 ZINC001289863125 1061546430 /nfs/dbraw/zinc/54/64/30/1061546430.db2.gz OHQFERKJEOMVCD-DEOSSOPVSA-N 1 1 475.659 2.577 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289876925 1061560585 /nfs/dbraw/zinc/56/05/85/1061560585.db2.gz HEMKIGUEIOHMQD-GBXCKJPGSA-N 1 1 475.659 2.576 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289878684 1061563046 /nfs/dbraw/zinc/56/30/46/1061563046.db2.gz ISXLPIBHRZFOPI-SFTDATJTSA-N 1 1 486.686 2.903 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001289878677 1061563175 /nfs/dbraw/zinc/56/31/75/1061563175.db2.gz ISXLPIBHRZFOPI-LEWJYISDSA-N 1 1 486.686 2.903 20 0 JFADMO Cc1ccc(SCc2nnc(N3CCN(CC(F)F)CC3)n2CCC[NH+]2CCOCC2)cc1 ZINC001289879821 1061565397 /nfs/dbraw/zinc/56/53/97/1061565397.db2.gz VMKBYWZKZORROW-UHFFFAOYSA-N 1 1 480.629 2.988 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286934427 1061569434 /nfs/dbraw/zinc/56/94/34/1061569434.db2.gz SMNCBCNZRGEIHA-LJQANCHMSA-N 1 1 464.618 2.552 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286935335 1061573739 /nfs/dbraw/zinc/57/37/39/1061573739.db2.gz PQXNQILCJKMHDY-UHFFFAOYSA-N 1 1 468.646 2.641 20 0 JFADMO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286935335 1061573754 /nfs/dbraw/zinc/57/37/54/1061573754.db2.gz PQXNQILCJKMHDY-UHFFFAOYSA-N 1 1 468.646 2.641 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001294096669 1061575258 /nfs/dbraw/zinc/57/52/58/1061575258.db2.gz WDKQSIOBGAHFNG-LJQANCHMSA-N 1 1 459.620 2.916 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCn2cc[nH+]c2C)CCO1 ZINC001286936149 1061576640 /nfs/dbraw/zinc/57/66/40/1061576640.db2.gz BLBBVFWUVNXLCG-DENIHFKCSA-N 1 1 481.601 2.581 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC001286937205 1061579736 /nfs/dbraw/zinc/57/97/36/1061579736.db2.gz NWMJILCPGMXVBU-JOCHJYFZSA-N 1 1 454.619 2.580 20 0 JFADMO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC[N@H+]1CCOC ZINC001294102732 1061582344 /nfs/dbraw/zinc/58/23/44/1061582344.db2.gz FPGSPAZFZPZWFD-RBUKOAKNSA-N 1 1 496.454 2.726 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC001286940341 1061582558 /nfs/dbraw/zinc/58/25/58/1061582558.db2.gz BREUZKOCVDMOSD-RDTXWAMCSA-N 1 1 464.973 2.562 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)CCO1 ZINC001286941110 1061586594 /nfs/dbraw/zinc/58/65/94/1061586594.db2.gz KEQJGBMPFCHGOT-YLJYHZDGSA-N 1 1 474.675 2.813 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(CC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294106843 1061590581 /nfs/dbraw/zinc/59/05/81/1061590581.db2.gz XMYBLGYRYPGLCZ-DEOSSOPVSA-N 1 1 478.707 2.714 20 0 JFADMO CCCCCC(=O)NC1CCN(c2nnc(CC)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294106844 1061590630 /nfs/dbraw/zinc/59/06/30/1061590630.db2.gz XMYBLGYRYPGLCZ-XMMPIXPASA-N 1 1 478.707 2.714 20 0 JFADMO Cc1cccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)n1 ZINC001289904661 1061591993 /nfs/dbraw/zinc/59/19/93/1061591993.db2.gz CTLGGFZRLJIQSM-KZNAEPCWSA-N 1 1 457.604 2.680 20 0 JFADMO CNC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001294110206 1061593844 /nfs/dbraw/zinc/59/38/44/1061593844.db2.gz JHFHEAKEAKGXJW-UHFFFAOYSA-N 1 1 451.571 2.538 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286943596 1061604164 /nfs/dbraw/zinc/60/41/64/1061604164.db2.gz VAAGDCLWXXHHHJ-QWFCFKBJSA-N 1 1 458.582 2.546 20 0 JFADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@H]2CCC[N@H+]2CCCO)n1 ZINC001289912783 1061604690 /nfs/dbraw/zinc/60/46/90/1061604690.db2.gz MWMLEMGCZCAMTN-OAQYLSRUSA-N 1 1 499.566 2.848 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001289915328 1061607006 /nfs/dbraw/zinc/60/70/06/1061607006.db2.gz KPUAFFPNKVDBSB-UHFFFAOYSA-N 1 1 452.607 2.746 20 0 JFADMO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001289921676 1061613887 /nfs/dbraw/zinc/61/38/87/1061613887.db2.gz HRAPEKASDHXPFI-MRXNPFEDSA-N 1 1 478.523 2.758 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001294139711 1061626238 /nfs/dbraw/zinc/62/62/38/1061626238.db2.gz OPGSWLQZCSXUSK-WIQPIVSASA-N 1 1 455.599 2.995 20 0 JFADMO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001294140236 1061628224 /nfs/dbraw/zinc/62/82/24/1061628224.db2.gz ZOONUJOCVKIKTF-UYAOXDASSA-N 1 1 496.703 2.746 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001294141003 1061629326 /nfs/dbraw/zinc/62/93/26/1061629326.db2.gz YXWHPAMEBFJDFL-JPYJTQIMSA-N 1 1 457.596 2.584 20 0 JFADMO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001286947302 1061642007 /nfs/dbraw/zinc/64/20/07/1061642007.db2.gz SXENEOQBAZCBGY-XXBNENTESA-N 1 1 482.654 2.792 20 0 JFADMO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CCO1 ZINC001286948789 1061663833 /nfs/dbraw/zinc/66/38/33/1061663833.db2.gz WVAYOCCAWAAHGF-OFNKIYASSA-N 1 1 498.031 2.562 20 0 JFADMO CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001286952088 1061694558 /nfs/dbraw/zinc/69/45/58/1061694558.db2.gz JZTRGPLIJILNOZ-SQJMNOBHSA-N 1 1 496.635 2.787 20 0 JFADMO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC001294189507 1061699667 /nfs/dbraw/zinc/69/96/67/1061699667.db2.gz MFNGRHVOPNQRNT-GOSISDBHSA-N 1 1 451.976 2.868 20 0 JFADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CCC[NH+]2CCOCC2)n1 ZINC001289980338 1061701589 /nfs/dbraw/zinc/70/15/89/1061701589.db2.gz WEZUCSVBCKSSSL-FQEVSTJZSA-N 1 1 485.633 2.816 20 0 JFADMO CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001286954008 1061702692 /nfs/dbraw/zinc/70/26/92/1061702692.db2.gz FKCNEEZHERGTQB-UHFFFAOYSA-N 1 1 454.619 2.881 20 0 JFADMO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CCCNS(C)(=O)=O)n1 ZINC001289981417 1061703809 /nfs/dbraw/zinc/70/38/09/1061703809.db2.gz UUHRNXQLNWRZIG-SFHVURJKSA-N 1 1 489.671 2.533 20 0 JFADMO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294197000 1061705330 /nfs/dbraw/zinc/70/53/30/1061705330.db2.gz SWMFUJUMQCHDMO-ZCNNSNEGSA-N 1 1 484.711 2.604 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001294208859 1061711692 /nfs/dbraw/zinc/71/16/92/1061711692.db2.gz KACASIPKCZYSGD-FQEVSTJZSA-N 1 1 462.664 2.667 20 0 JFADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001294208858 1061711946 /nfs/dbraw/zinc/71/19/46/1061711946.db2.gz KABQYVGLBLMXNM-VWLOTQADSA-N 1 1 489.686 2.751 20 0 JFADMO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H]2CO)n1 ZINC001289987994 1061713538 /nfs/dbraw/zinc/71/35/38/1061713538.db2.gz FVVBRDKWJPVRAV-PKOBYXMFSA-N 1 1 468.524 2.653 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294210592 1061714845 /nfs/dbraw/zinc/71/48/45/1061714845.db2.gz MTAZQJJKBAWPQC-VWLOTQADSA-N 1 1 469.634 2.842 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001294211997 1061717139 /nfs/dbraw/zinc/71/71/39/1061717139.db2.gz XFIGHSWJQRRKLW-UHFFFAOYSA-N 1 1 499.635 2.784 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001294212040 1061717812 /nfs/dbraw/zinc/71/78/12/1061717812.db2.gz YFZUWHSXEGCBDV-UHFFFAOYSA-N 1 1 482.633 2.639 20 0 JFADMO CCCC[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC001294212171 1061718043 /nfs/dbraw/zinc/71/80/43/1061718043.db2.gz ZOYSEATXNVZIKL-UHFFFAOYSA-N 1 1 468.606 2.616 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 ZINC001294214612 1061723103 /nfs/dbraw/zinc/72/31/03/1061723103.db2.gz JPOPQIXFTBJXPB-UHFFFAOYSA-N 1 1 488.438 2.884 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294214652 1061724043 /nfs/dbraw/zinc/72/40/43/1061724043.db2.gz KGLPJPOUKWLCKK-SFHVURJKSA-N 1 1 483.592 2.946 20 0 JFADMO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000637 1061724134 /nfs/dbraw/zinc/72/41/34/1061724134.db2.gz GDCCJYRKEHUVHK-GOTSBHOMSA-N 1 1 495.672 2.661 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294215853 1061724561 /nfs/dbraw/zinc/72/45/61/1061724561.db2.gz VZTBHRHMWLUMRT-INIZCTEOSA-N 1 1 480.455 2.835 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001294215871 1061724844 /nfs/dbraw/zinc/72/48/44/1061724844.db2.gz WELNDXNUWXWVES-UHFFFAOYSA-N 1 1 450.591 2.802 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001286959013 1061727720 /nfs/dbraw/zinc/72/77/20/1061727720.db2.gz RKSIJFZYOPMIKK-WFXMLNOXSA-N 1 1 487.674 2.554 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294217700 1061728580 /nfs/dbraw/zinc/72/85/80/1061728580.db2.gz JZOGOFCLXVFWMV-XMMPIXPASA-N 1 1 491.658 2.709 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294218877 1061729759 /nfs/dbraw/zinc/72/97/59/1061729759.db2.gz GBOOAPPPKOEVAO-SFHVURJKSA-N 1 1 460.627 2.762 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294219372 1061730165 /nfs/dbraw/zinc/73/01/65/1061730165.db2.gz YIARDXLPQSPWMH-UHFFFAOYSA-N 1 1 485.658 2.743 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294219379 1061730437 /nfs/dbraw/zinc/73/04/37/1061730437.db2.gz YJVGXQHEHWUPLY-AZUAARDMSA-N 1 1 459.547 2.808 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286959756 1061730513 /nfs/dbraw/zinc/73/05/13/1061730513.db2.gz YJPDWYSPSVGNOJ-LJQANCHMSA-N 1 1 483.642 2.573 20 0 JFADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccc(C)n2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286959756 1061730532 /nfs/dbraw/zinc/73/05/32/1061730532.db2.gz YJPDWYSPSVGNOJ-LJQANCHMSA-N 1 1 483.642 2.573 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001294219458 1061730872 /nfs/dbraw/zinc/73/08/72/1061730872.db2.gz ZCDLXEYZPVVPCZ-HXUWFJFHSA-N 1 1 470.618 2.943 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224414 1061734988 /nfs/dbraw/zinc/73/49/88/1061734988.db2.gz SZJMKUDMTDFWLW-PZJWPPBQSA-N 1 1 472.638 2.649 20 0 JFADMO CCCC[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294224538 1061735257 /nfs/dbraw/zinc/73/52/57/1061735257.db2.gz UHPRXIRPODYQNP-UHFFFAOYSA-N 1 1 473.622 2.621 20 0 JFADMO CC(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286962355 1061736564 /nfs/dbraw/zinc/73/65/64/1061736564.db2.gz KIZFTPJEWMXNKW-KDURUIRLSA-N 1 1 481.601 2.672 20 0 JFADMO CC(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286962355 1061736585 /nfs/dbraw/zinc/73/65/85/1061736585.db2.gz KIZFTPJEWMXNKW-KDURUIRLSA-N 1 1 481.601 2.672 20 0 JFADMO CCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226270 1061739023 /nfs/dbraw/zinc/73/90/23/1061739023.db2.gz RNNJPIOOIDLVKY-DHIUTWEWSA-N 1 1 494.750 2.860 20 0 JFADMO CCCC[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294228073 1061742508 /nfs/dbraw/zinc/74/25/08/1061742508.db2.gz AJJOZHGDHFFIKD-HSZRJFAPSA-N 1 1 460.554 2.759 20 0 JFADMO Cc1cccc(CCn2c([C@H]3CCCOC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001290022957 1061744383 /nfs/dbraw/zinc/74/43/83/1061744383.db2.gz RCSKSHVMQRBHIJ-NRFANRHFSA-N 1 1 456.635 2.913 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294229364 1061745686 /nfs/dbraw/zinc/74/56/86/1061745686.db2.gz XRCZRLKREZJMGF-UHFFFAOYSA-N 1 1 466.634 2.553 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294229246 1061745736 /nfs/dbraw/zinc/74/57/36/1061745736.db2.gz WVKJRJKCCYAUNW-DEOSSOPVSA-N 1 1 456.591 2.640 20 0 JFADMO CCCC[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001294230069 1061747179 /nfs/dbraw/zinc/74/71/79/1061747179.db2.gz UVOLJEWZEGMMQT-IBGZPJMESA-N 1 1 470.588 2.944 20 0 JFADMO CCCC[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001294233842 1061749252 /nfs/dbraw/zinc/74/92/52/1061749252.db2.gz ZNUUEJLLRKUYKV-IUVFILBMSA-N 1 1 465.639 2.507 20 0 JFADMO Cc1cccc(CCn2c(CN3CCCC3=O)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC001290036286 1061751716 /nfs/dbraw/zinc/75/17/16/1061751716.db2.gz JNAXXXOUGCBZKL-UHFFFAOYSA-N 1 1 468.646 2.746 20 0 JFADMO CCCCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001294242128 1061751930 /nfs/dbraw/zinc/75/19/30/1061751930.db2.gz CSOXFOMAVLXDMT-RUZDIDTESA-N 1 1 467.618 2.758 20 0 JFADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290053093 1061770178 /nfs/dbraw/zinc/77/01/78/1061770178.db2.gz VRAWHPJINPFCRA-FYYLOGMGSA-N 1 1 457.619 2.995 20 0 JFADMO CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001294280626 1061771771 /nfs/dbraw/zinc/77/17/71/1061771771.db2.gz ILCQVPPLWPKIRH-HSZRJFAPSA-N 1 1 470.662 2.909 20 0 JFADMO CCc1n[nH]c(=O)c(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1CC ZINC001294291978 1061777297 /nfs/dbraw/zinc/77/72/97/1061777297.db2.gz NQQKCOFVAZNGGI-UHFFFAOYSA-N 1 1 456.572 2.809 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290058150 1061777777 /nfs/dbraw/zinc/77/77/77/1061777777.db2.gz BZSQMNRZZIZXOX-WOJBJXKFSA-N 1 1 454.619 2.988 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CCC[NH+]2CCOCC2)c1 ZINC001290062338 1061782974 /nfs/dbraw/zinc/78/29/74/1061782974.db2.gz FFFJEDJEILKZRJ-UHFFFAOYSA-N 1 1 483.535 2.781 20 0 JFADMO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001294297057 1061785115 /nfs/dbraw/zinc/78/51/15/1061785115.db2.gz QISLSZKJADAOCY-PMACEKPBSA-N 1 1 489.665 2.893 20 0 JFADMO Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290062958 1061786676 /nfs/dbraw/zinc/78/66/76/1061786676.db2.gz RRUBRKZWTVHETQ-CTNGQTDRSA-N 1 1 461.632 2.521 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001290066648 1061790846 /nfs/dbraw/zinc/79/08/46/1061790846.db2.gz OHRHPXSVJBHDCB-SIKLNZKXSA-N 1 1 483.535 2.780 20 0 JFADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290066953 1061791546 /nfs/dbraw/zinc/79/15/46/1061791546.db2.gz RGNDFXMZTQIIIK-OAQYLSRUSA-N 1 1 463.648 2.909 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001286977643 1061791958 /nfs/dbraw/zinc/79/19/58/1061791958.db2.gz IACVDTPIZHSVIX-LQWHRVPQSA-N 1 1 456.616 2.901 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001294306743 1061794059 /nfs/dbraw/zinc/79/40/59/1061794059.db2.gz COZGMCXFYLETMX-ZVDOUQERSA-N 1 1 494.662 2.714 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294307822 1061794897 /nfs/dbraw/zinc/79/48/97/1061794897.db2.gz FOFWTJVKVQLYCU-NRFANRHFSA-N 1 1 471.650 2.711 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001286978076 1061795241 /nfs/dbraw/zinc/79/52/41/1061795241.db2.gz ULIXANRIWQMMSF-LQWHRVPQSA-N 1 1 460.648 2.539 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001286978076 1061795266 /nfs/dbraw/zinc/79/52/66/1061795266.db2.gz ULIXANRIWQMMSF-LQWHRVPQSA-N 1 1 460.648 2.539 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294309168 1061798575 /nfs/dbraw/zinc/79/85/75/1061798575.db2.gz ZXXMNDOADQDIEV-AZUAARDMSA-N 1 1 461.655 2.518 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294309200 1061798609 /nfs/dbraw/zinc/79/86/09/1061798609.db2.gz SLPPSFMIBZEHIJ-VAMGGRTRSA-N 1 1 459.591 2.861 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001294309360 1061799079 /nfs/dbraw/zinc/79/90/79/1061799079.db2.gz VXIGVHDTWFSVFQ-NJDAHSKKSA-N 1 1 496.722 2.674 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294309940 1061799855 /nfs/dbraw/zinc/79/98/55/1061799855.db2.gz CZRSTJZAMGYUFN-MJGOQNOKSA-N 1 1 496.582 2.838 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294309941 1061800924 /nfs/dbraw/zinc/80/09/24/1061800924.db2.gz CZRSTJZAMGYUFN-PKOBYXMFSA-N 1 1 496.582 2.838 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC001294311700 1061802512 /nfs/dbraw/zinc/80/25/12/1061802512.db2.gz NUGNNXMUMCOTIB-PWRODBHTSA-N 1 1 473.666 2.769 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286978908 1061802248 /nfs/dbraw/zinc/80/22/48/1061802248.db2.gz XCKDBGOYEIGSCB-QTEQDKRBSA-N 1 1 489.686 2.878 20 0 JFADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001286978908 1061802264 /nfs/dbraw/zinc/80/22/64/1061802264.db2.gz XCKDBGOYEIGSCB-QTEQDKRBSA-N 1 1 489.686 2.878 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312095 1061803335 /nfs/dbraw/zinc/80/33/35/1061803335.db2.gz UBYLFGZRDUJPEZ-HXUWFJFHSA-N 1 1 477.679 2.693 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294314652 1061805787 /nfs/dbraw/zinc/80/57/87/1061805787.db2.gz HTURPLDINZAJJN-HMXCVIKNSA-N 1 1 490.674 2.649 20 0 JFADMO CCCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294315661 1061808062 /nfs/dbraw/zinc/80/80/62/1061808062.db2.gz CKWOWZNAHCNKKY-GMAHTHKFSA-N 1 1 484.645 2.771 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294316068 1061809554 /nfs/dbraw/zinc/80/95/54/1061809554.db2.gz DIQQVZNGAYEDPY-AZUAARDMSA-N 1 1 458.582 2.962 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294316594 1061810844 /nfs/dbraw/zinc/81/08/44/1061810844.db2.gz HOWLAPWMKXPALI-LEWJYISDSA-N 1 1 457.623 2.794 20 0 JFADMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294317951 1061816640 /nfs/dbraw/zinc/81/66/40/1061816640.db2.gz ZDDYTJUVYKQQJC-KSZLIROESA-N 1 1 493.596 2.602 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294322034 1061826638 /nfs/dbraw/zinc/82/66/38/1061826638.db2.gz PKLOMPFNKVBPCP-YJLYGGOZSA-N 1 1 490.052 2.581 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001294325093 1061832708 /nfs/dbraw/zinc/83/27/08/1061832708.db2.gz JDHINGUNHXVERT-BDTNDASRSA-N 1 1 498.676 2.613 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCN1CCOC[C@@H]1C ZINC001290107950 1061835332 /nfs/dbraw/zinc/83/53/32/1061835332.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 1 1 456.635 2.521 20 0 JFADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCN1CCOC[C@@H]1C ZINC001290107950 1061835348 /nfs/dbraw/zinc/83/53/48/1061835348.db2.gz WHKSODGZAPHXHP-NRFANRHFSA-N 1 1 456.635 2.521 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294328838 1061847587 /nfs/dbraw/zinc/84/75/87/1061847587.db2.gz IBUZHNCAOSDKIA-VSKRKVRLSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294328838 1061847598 /nfs/dbraw/zinc/84/75/98/1061847598.db2.gz IBUZHNCAOSDKIA-VSKRKVRLSA-N 1 1 490.693 2.804 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294330686 1061849882 /nfs/dbraw/zinc/84/98/82/1061849882.db2.gz PQCUGNKBSGTVOP-DOIPELPJSA-N 1 1 487.693 2.871 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001294330796 1061849922 /nfs/dbraw/zinc/84/99/22/1061849922.db2.gz ANZBLNVHXNQDTA-GGAORHGYSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001294330796 1061849962 /nfs/dbraw/zinc/84/99/62/1061849962.db2.gz ANZBLNVHXNQDTA-GGAORHGYSA-N 1 1 497.688 2.896 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001294330783 1061850000 /nfs/dbraw/zinc/85/00/00/1061850000.db2.gz AFJIGGXPGHCYIT-CIAFKFPVSA-N 1 1 476.666 2.619 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001294330786 1061850037 /nfs/dbraw/zinc/85/00/37/1061850037.db2.gz AFJIGGXPGHCYIT-GXRSIYKFSA-N 1 1 476.666 2.619 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001294330685 1061850173 /nfs/dbraw/zinc/85/01/73/1061850173.db2.gz PQCUGNKBSGTVOP-BQJUDKOJSA-N 1 1 487.693 2.871 20 0 JFADMO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2CCCn2cc[nH+]c2C)C1 ZINC001294332144 1061858072 /nfs/dbraw/zinc/85/80/72/1061858072.db2.gz XSKBHAXATQNWAW-HMXCVIKNSA-N 1 1 457.623 2.898 20 0 JFADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC001294333155 1061863258 /nfs/dbraw/zinc/86/32/58/1061863258.db2.gz YQCFDNOTHFGQGW-KRWDZBQOSA-N 1 1 456.974 2.804 20 0 JFADMO Cc1ccccc1-c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@H+](C)C(C)C ZINC001290130661 1061865307 /nfs/dbraw/zinc/86/53/07/1061865307.db2.gz YKJAOSIMAGDRHN-UHFFFAOYSA-N 1 1 476.629 2.804 20 0 JFADMO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(OC)c1OC ZINC001294346428 1061901979 /nfs/dbraw/zinc/90/19/79/1061901979.db2.gz DWMJXAGFOGXWCO-SFHVURJKSA-N 1 1 459.587 2.651 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001290164697 1061905321 /nfs/dbraw/zinc/90/53/21/1061905321.db2.gz VBAKWYVWJRXPPK-UHFFFAOYSA-N 1 1 481.689 2.543 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCC[N@H+](C)C(C)C ZINC001290166206 1061909102 /nfs/dbraw/zinc/90/91/02/1061909102.db2.gz ZFYRHMBLWIUVOW-QFIPXVFZSA-N 1 1 453.635 2.948 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001294348901 1061911855 /nfs/dbraw/zinc/91/18/55/1061911855.db2.gz JAOUKXGDRSAKOU-DEOSSOPVSA-N 1 1 478.707 2.742 20 0 JFADMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001294349147 1061913247 /nfs/dbraw/zinc/91/32/47/1061913247.db2.gz NBTMUBAQSYBLSJ-FCHUYYIVSA-N 1 1 453.635 2.738 20 0 JFADMO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001294349150 1061913427 /nfs/dbraw/zinc/91/34/27/1061913427.db2.gz NBTMUBAQSYBLSJ-YADHBBJMSA-N 1 1 453.635 2.738 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001290173653 1061919130 /nfs/dbraw/zinc/91/91/30/1061919130.db2.gz LTEFDGIUDOMHKH-UHFFFAOYSA-N 1 1 468.646 2.593 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001290173653 1061919150 /nfs/dbraw/zinc/91/91/50/1061919150.db2.gz LTEFDGIUDOMHKH-UHFFFAOYSA-N 1 1 468.646 2.593 20 0 JFADMO CC(C)(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287004214 1061922007 /nfs/dbraw/zinc/92/20/07/1061922007.db2.gz GAGRCIFUSMDUDO-YADHBBJMSA-N 1 1 489.686 2.594 20 0 JFADMO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001290176047 1061923694 /nfs/dbraw/zinc/92/36/94/1061923694.db2.gz DKXHKVYZPLZSTL-JOCHJYFZSA-N 1 1 488.702 2.627 20 0 JFADMO CC(C)(C)c1nnc(N2CCCN(c3nccs3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287006686 1061927918 /nfs/dbraw/zinc/92/79/18/1061927918.db2.gz YGNOTGSNBAAGAV-IBGZPJMESA-N 1 1 461.680 2.986 20 0 JFADMO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294359820 1061932172 /nfs/dbraw/zinc/93/21/72/1061932172.db2.gz TVYCDJWVSZXQEM-VWPQPMDRSA-N 1 1 490.693 2.803 20 0 JFADMO Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001290198534 1061940116 /nfs/dbraw/zinc/94/01/16/1061940116.db2.gz CGSSBWVIAQPLRE-SFTDATJTSA-N 1 1 454.619 2.920 20 0 JFADMO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1OC ZINC001294372455 1061941693 /nfs/dbraw/zinc/94/16/93/1061941693.db2.gz JEEFALFAUQAVAN-IBGZPJMESA-N 1 1 470.618 2.895 20 0 JFADMO Cc1ccccc1O[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290200163 1061941851 /nfs/dbraw/zinc/94/18/51/1061941851.db2.gz REFROKPBARNDQR-UXHICEINSA-N 1 1 492.690 2.975 20 0 JFADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 ZINC001294386158 1061958021 /nfs/dbraw/zinc/95/80/21/1061958021.db2.gz UTWXUYYDVBPWJA-KRWDZBQOSA-N 1 1 455.571 2.556 20 0 JFADMO CCCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294408712 1061974567 /nfs/dbraw/zinc/97/45/67/1061974567.db2.gz JEMGMFQOLBBQGY-OAQYLSRUSA-N 1 1 492.665 2.730 20 0 JFADMO CCCCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294408712 1061974590 /nfs/dbraw/zinc/97/45/90/1061974590.db2.gz JEMGMFQOLBBQGY-OAQYLSRUSA-N 1 1 492.665 2.730 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001287029061 1061977131 /nfs/dbraw/zinc/97/71/31/1061977131.db2.gz MWTIHBYDMYQPDS-AZUAARDMSA-N 1 1 466.696 2.649 20 0 JFADMO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001294418616 1061983811 /nfs/dbraw/zinc/98/38/11/1061983811.db2.gz IRMPRSXRZCLAAF-GOSISDBHSA-N 1 1 477.679 2.894 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001287032607 1061988043 /nfs/dbraw/zinc/98/80/43/1061988043.db2.gz RPPGTDIIHZULPK-HSZRJFAPSA-N 1 1 482.673 2.605 20 0 JFADMO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCC[NH+]1CCOCC1 ZINC001287034364 1061995933 /nfs/dbraw/zinc/99/59/33/1061995933.db2.gz KZVMWFMUSDBESX-UHFFFAOYSA-N 1 1 464.552 2.611 20 0 JFADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287034642 1061998035 /nfs/dbraw/zinc/99/80/35/1061998035.db2.gz QSYTZTKYBSBIDJ-HXUWFJFHSA-N 1 1 492.665 2.610 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294453778 1061998621 /nfs/dbraw/zinc/99/86/21/1061998621.db2.gz GKUMLGOLCQFRKB-ROUUACIJSA-N 1 1 475.663 2.894 20 0 JFADMO Cc1cnn([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@H+](C)C(C)C)C2)c1 ZINC001290270979 1062000192 /nfs/dbraw/zinc/00/01/92/1062000192.db2.gz CYMMQERNNUARHM-LJQANCHMSA-N 1 1 470.647 2.956 20 0 JFADMO Cc1cnn(CC2CCN(c3nnc(C(=O)Nc4ccccn4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001290271119 1062000601 /nfs/dbraw/zinc/00/06/01/1062000601.db2.gz FLTLOAIJGVWHPU-UHFFFAOYSA-N 1 1 465.606 2.687 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455084 1062001512 /nfs/dbraw/zinc/00/15/12/1062001512.db2.gz CDCYYZHIVMTZFS-ZEQKJWHPSA-N 1 1 490.693 2.745 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294454940 1062001557 /nfs/dbraw/zinc/00/15/57/1062001557.db2.gz UVXIKIHMRRWZKI-FQEVSTJZSA-N 1 1 469.634 2.840 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294456119 1062004061 /nfs/dbraw/zinc/00/40/61/1062004061.db2.gz IBPYIYLEZVZVFT-HNNXBMFYSA-N 1 1 499.479 2.781 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294460723 1062008941 /nfs/dbraw/zinc/00/89/41/1062008941.db2.gz JHMQOULQFRBVKO-TZIWHRDSSA-N 1 1 490.674 2.546 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294461770 1062011183 /nfs/dbraw/zinc/01/11/83/1062011183.db2.gz DOFOUDJJEMQSMC-VQTJNVASSA-N 1 1 490.674 2.546 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287042560 1062012750 /nfs/dbraw/zinc/01/27/50/1062012750.db2.gz QKTCFTIAHBMADJ-LJQANCHMSA-N 1 1 481.567 2.914 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 ZINC001294462892 1062012973 /nfs/dbraw/zinc/01/29/73/1062012973.db2.gz NHVWJLHTVHTLGJ-FQEVSTJZSA-N 1 1 454.623 2.696 20 0 JFADMO CC[N@@H+]1CCc2nc(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)sc2C1 ZINC001290284609 1062012956 /nfs/dbraw/zinc/01/29/56/1062012956.db2.gz VIXCTGYPNLLTRE-KRWDZBQOSA-N 1 1 453.609 2.515 20 0 JFADMO CC[N@H+]1CCc2nc(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)sc2C1 ZINC001290284609 1062012982 /nfs/dbraw/zinc/01/29/82/1062012982.db2.gz VIXCTGYPNLLTRE-KRWDZBQOSA-N 1 1 453.609 2.515 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466688 1062015551 /nfs/dbraw/zinc/01/55/51/1062015551.db2.gz CPURUORAXJHOSE-PMACEKPBSA-N 1 1 480.654 2.791 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467349 1062016021 /nfs/dbraw/zinc/01/60/21/1062016021.db2.gz FMSYTYDXXPRYTN-ZWKOTPCHSA-N 1 1 477.654 2.701 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001294468800 1062019329 /nfs/dbraw/zinc/01/93/29/1062019329.db2.gz QDUHYEVAFDTLCX-LSTHTHJFSA-N 1 1 478.663 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001294469034 1062020808 /nfs/dbraw/zinc/02/08/08/1062020808.db2.gz TWMPALKYUWROAB-YADHBBJMSA-N 1 1 459.660 2.981 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045108 1062022332 /nfs/dbraw/zinc/02/23/32/1062022332.db2.gz JCUOJHBVFPLALA-MOPGFXCFSA-N 1 1 488.599 2.746 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001294469672 1062023078 /nfs/dbraw/zinc/02/30/78/1062023078.db2.gz DWPINEDLKZETFZ-YDIMBITNSA-N 1 1 474.675 2.989 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001287045664 1062025102 /nfs/dbraw/zinc/02/51/02/1062025102.db2.gz LTLUELTYCRTJMS-HXUWFJFHSA-N 1 1 460.648 2.542 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)C1 ZINC001294470812 1062025040 /nfs/dbraw/zinc/02/50/40/1062025040.db2.gz NEVYZVOAOMMXPB-OAQYLSRUSA-N 1 1 470.666 2.757 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294470916 1062025731 /nfs/dbraw/zinc/02/57/31/1062025731.db2.gz FQDOZJAQPJJCKW-OAQYLSRUSA-N 1 1 469.634 2.910 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001287046096 1062027043 /nfs/dbraw/zinc/02/70/43/1062027043.db2.gz QNKUYBXAJIDDAU-OAQYLSRUSA-N 1 1 484.645 2.678 20 0 JFADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001294475965 1062028261 /nfs/dbraw/zinc/02/82/61/1062028261.db2.gz YATWBZCJTJHVCH-IRFCIJBXSA-N 1 1 462.664 2.853 20 0 JFADMO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CC1 ZINC001287046522 1062029570 /nfs/dbraw/zinc/02/95/70/1062029570.db2.gz SPMVHBFIXVXQQA-UHFFFAOYSA-N 1 1 455.651 2.687 20 0 JFADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CC1 ZINC001287046522 1062029591 /nfs/dbraw/zinc/02/95/91/1062029591.db2.gz SPMVHBFIXVXQQA-UHFFFAOYSA-N 1 1 455.651 2.687 20 0 JFADMO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001294481210 1062031325 /nfs/dbraw/zinc/03/13/25/1062031325.db2.gz YODJQHXCIPTIAI-GOSISDBHSA-N 1 1 471.631 2.891 20 0 JFADMO CC(C)(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001287047392 1062032940 /nfs/dbraw/zinc/03/29/40/1062032940.db2.gz HAYCIZJPCJMLOW-HXUWFJFHSA-N 1 1 458.582 2.896 20 0 JFADMO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCOCC1 ZINC001294496873 1062034861 /nfs/dbraw/zinc/03/48/61/1062034861.db2.gz DNVKOMRCDZQODC-IBGZPJMESA-N 1 1 466.627 2.545 20 0 JFADMO Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001290307632 1062034905 /nfs/dbraw/zinc/03/49/05/1062034905.db2.gz QVDXXPLYJDVDAV-JOCHJYFZSA-N 1 1 458.651 2.966 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001294503473 1062038770 /nfs/dbraw/zinc/03/87/70/1062038770.db2.gz YJVUXJNPTACWOW-INIZCTEOSA-N 1 1 453.377 2.593 20 0 JFADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC001294503465 1062038808 /nfs/dbraw/zinc/03/88/08/1062038808.db2.gz YFMBYICCNHBTSU-FQEVSTJZSA-N 1 1 458.603 2.737 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294505142 1062040398 /nfs/dbraw/zinc/04/03/98/1062040398.db2.gz GPJMCFYWDTUION-LJQANCHMSA-N 1 1 455.607 2.546 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001294505473 1062040919 /nfs/dbraw/zinc/04/09/19/1062040919.db2.gz JWZSKNXXWMMMDP-MSOLQXFVSA-N 1 1 460.554 2.930 20 0 JFADMO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)C2)n1 ZINC001290317209 1062040898 /nfs/dbraw/zinc/04/08/98/1062040898.db2.gz DDGHVWHIQKVVFY-WOJBJXKFSA-N 1 1 489.690 2.922 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001294505619 1062041403 /nfs/dbraw/zinc/04/14/03/1062041403.db2.gz CJZPFTOIPZGKPV-UHFFFAOYSA-N 1 1 450.591 2.802 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001294505485 1062041659 /nfs/dbraw/zinc/04/16/59/1062041659.db2.gz KEGORWVOHUMUDC-VWLOTQADSA-N 1 1 454.619 2.998 20 0 JFADMO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294505523 1062041851 /nfs/dbraw/zinc/04/18/51/1062041851.db2.gz LEEJAIYLQCQFCP-UHFFFAOYSA-N 1 1 469.634 2.581 20 0 JFADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC=CCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001287049076 1062041774 /nfs/dbraw/zinc/04/17/74/1062041774.db2.gz JBJKQTGTXBDLQF-HXUWFJFHSA-N 1 1 460.623 2.881 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294514757 1062049900 /nfs/dbraw/zinc/04/99/00/1062049900.db2.gz CANNNQUVYAHDHQ-VWLOTQADSA-N 1 1 464.618 2.825 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294515400 1062051763 /nfs/dbraw/zinc/05/17/63/1062051763.db2.gz GGRXDDVUBCMILF-QGZVFWFLSA-N 1 1 467.574 2.715 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001294516205 1062052720 /nfs/dbraw/zinc/05/27/20/1062052720.db2.gz OFLZMIOEALAAHJ-IBGZPJMESA-N 1 1 477.654 2.702 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001294516475 1062053329 /nfs/dbraw/zinc/05/33/29/1062053329.db2.gz SVSHHTXEAHHEOC-UHFFFAOYSA-N 1 1 458.014 2.786 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294516265 1062053762 /nfs/dbraw/zinc/05/37/62/1062053762.db2.gz QHUOEPMSDINASJ-UYAOXDASSA-N 1 1 457.598 2.815 20 0 JFADMO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287051905 1062053766 /nfs/dbraw/zinc/05/37/66/1062053766.db2.gz RGVJKSQVPIJSLT-FQEVSTJZSA-N 1 1 487.649 2.704 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294518867 1062054159 /nfs/dbraw/zinc/05/41/59/1062054159.db2.gz AYLVTWZIIHIXNK-UXHICEINSA-N 1 1 491.681 2.791 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294516534 1062054248 /nfs/dbraw/zinc/05/42/48/1062054248.db2.gz VHKAMAODPVVPND-HDICACEKSA-N 1 1 463.652 2.584 20 0 JFADMO CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294516490 1062054552 /nfs/dbraw/zinc/05/45/52/1062054552.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 1 1 476.695 2.501 20 0 JFADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001294516490 1062054572 /nfs/dbraw/zinc/05/45/72/1062054572.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 1 1 476.695 2.501 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518943 1062054867 /nfs/dbraw/zinc/05/48/67/1062054867.db2.gz CNAIPZZOCPPQCB-QFIPXVFZSA-N 1 1 491.658 2.926 20 0 JFADMO Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001290341100 1062057116 /nfs/dbraw/zinc/05/71/16/1062057116.db2.gz YJPFPUFTYVDPDY-IBGZPJMESA-N 1 1 460.648 2.764 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)NC)CC1 ZINC001294527882 1062063764 /nfs/dbraw/zinc/06/37/64/1062063764.db2.gz QMEKWLGNCXEYRW-UHFFFAOYSA-N 1 1 451.619 2.975 20 0 JFADMO CCC[N@@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294527847 1062063864 /nfs/dbraw/zinc/06/38/64/1062063864.db2.gz QBKUJRYDMVXQAA-FQEVSTJZSA-N 1 1 458.632 2.636 20 0 JFADMO CCC[N@@H+](CC)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294527525 1062063978 /nfs/dbraw/zinc/06/39/78/1062063978.db2.gz OHDOQAAIFFROPM-XMMPIXPASA-N 1 1 456.591 2.928 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001294528583 1062064663 /nfs/dbraw/zinc/06/46/63/1062064663.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 1 1 491.681 2.603 20 0 JFADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001294529955 1062066709 /nfs/dbraw/zinc/06/67/09/1062066709.db2.gz SQMULXBAKNBKTF-UQBPGWFLSA-N 1 1 489.665 2.798 20 0 JFADMO CC(C)(C)OC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287055606 1062071469 /nfs/dbraw/zinc/07/14/69/1062071469.db2.gz QKVAVBJGWWCRAG-UHFFFAOYSA-N 1 1 471.606 2.508 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287056259 1062075468 /nfs/dbraw/zinc/07/54/68/1062075468.db2.gz APYJIPRYJBVMAM-NHCUHLMSSA-N 1 1 485.633 2.680 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287056230 1062075677 /nfs/dbraw/zinc/07/56/77/1062075677.db2.gz ACSXLOHGAVQKBP-IBGZPJMESA-N 1 1 496.616 2.681 20 0 JFADMO CCCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001294551349 1062076070 /nfs/dbraw/zinc/07/60/70/1062076070.db2.gz RYRLOBQNAVWGIA-GLDPYIMESA-N 1 1 462.639 2.742 20 0 JFADMO CCOC(Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554964 1062077465 /nfs/dbraw/zinc/07/74/65/1062077465.db2.gz SSFWCSSKRJBZFM-RBBKRZOGSA-N 1 1 455.603 2.991 20 0 JFADMO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287057437 1062081339 /nfs/dbraw/zinc/08/13/39/1062081339.db2.gz OKPAHCZIOKJCFX-PMACEKPBSA-N 1 1 462.639 2.886 20 0 JFADMO CCCN(CCn1c(-c2cnccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294585558 1062096924 /nfs/dbraw/zinc/09/69/24/1062096924.db2.gz QUVGPOUQNDNKNB-SFHVURJKSA-N 1 1 458.611 2.913 20 0 JFADMO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001287061661 1062098459 /nfs/dbraw/zinc/09/84/59/1062098459.db2.gz MMAZBDJFOQYZFQ-UNMCSNQZSA-N 1 1 499.660 2.928 20 0 JFADMO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294603275 1062113319 /nfs/dbraw/zinc/11/33/19/1062113319.db2.gz VYWVIICBUOTKPT-XMSQKQJNSA-N 1 1 470.618 2.751 20 0 JFADMO CCCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294623786 1062130547 /nfs/dbraw/zinc/13/05/47/1062130547.db2.gz CYBJTCMYZGXWFN-LAUBAEHRSA-N 1 1 461.010 2.909 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290416162 1062137708 /nfs/dbraw/zinc/13/77/08/1062137708.db2.gz ZHAKZKRIVPGLRO-HSZRJFAPSA-N 1 1 471.606 2.607 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290416163 1062137757 /nfs/dbraw/zinc/13/77/57/1062137757.db2.gz ZHAKZKRIVPGLRO-QHCPKHFHSA-N 1 1 471.606 2.607 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC001294632457 1062140217 /nfs/dbraw/zinc/14/02/17/1062140217.db2.gz IUUQGHYCVPQDIN-FGZHOGPDSA-N 1 1 495.672 2.795 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC001294634355 1062144425 /nfs/dbraw/zinc/14/44/25/1062144425.db2.gz SUFODTJGLWSZOJ-JOCHJYFZSA-N 1 1 495.672 2.809 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294633974 1062144461 /nfs/dbraw/zinc/14/44/61/1062144461.db2.gz QQWLPMOHLLLKFT-NRFANRHFSA-N 1 1 481.645 2.938 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC001294634929 1062146635 /nfs/dbraw/zinc/14/66/35/1062146635.db2.gz VQYAMZHEYJXSGP-RBUKOAKNSA-N 1 1 473.597 2.730 20 0 JFADMO Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cs1 ZINC001290418160 1062149820 /nfs/dbraw/zinc/14/98/20/1062149820.db2.gz QQNOLZOAPFALHS-JOCHJYFZSA-N 1 1 476.691 2.980 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC001294640817 1062158534 /nfs/dbraw/zinc/15/85/34/1062158534.db2.gz GFEWZNPWQBKFTA-JAXLGGSGSA-N 1 1 490.674 2.588 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287067576 1062162058 /nfs/dbraw/zinc/16/20/58/1062162058.db2.gz UUZCZQXOEXWBCO-JOCHJYFZSA-N 1 1 499.660 2.727 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287067702 1062163841 /nfs/dbraw/zinc/16/38/41/1062163841.db2.gz YAHXJTYQOWKALI-QFIPXVFZSA-N 1 1 499.660 2.870 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001294642877 1062166235 /nfs/dbraw/zinc/16/62/35/1062166235.db2.gz WENJOSGTAGBSCR-OAHLLOKOSA-N 1 1 466.428 2.728 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001294643276 1062167735 /nfs/dbraw/zinc/16/77/35/1062167735.db2.gz YVAFVGIEBCHZMH-QYZOEREBSA-N 1 1 458.582 2.956 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 ZINC001294645286 1062171583 /nfs/dbraw/zinc/17/15/83/1062171583.db2.gz ATANGAPXMLEJAC-TZIWHRDSSA-N 1 1 471.650 2.615 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174300 /nfs/dbraw/zinc/17/43/00/1062174300.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174310 /nfs/dbraw/zinc/17/43/10/1062174310.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 1 1 462.042 2.882 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294646510 1062176323 /nfs/dbraw/zinc/17/63/23/1062176323.db2.gz LJMLIXSQEIGLCV-WIYYLYMNSA-N 1 1 461.632 2.699 20 0 JFADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2)cc(OC)c1 ZINC001294646808 1062178684 /nfs/dbraw/zinc/17/86/84/1062178684.db2.gz ZGOBZKYBIRDJEM-CQSZACIVSA-N 1 1 452.433 2.604 20 0 JFADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3NC(=O)C(F)(F)F)C2)cc(OC)c1 ZINC001294646808 1062178693 /nfs/dbraw/zinc/17/86/93/1062178693.db2.gz ZGOBZKYBIRDJEM-CQSZACIVSA-N 1 1 452.433 2.604 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294647006 1062179632 /nfs/dbraw/zinc/17/96/32/1062179632.db2.gz QSBZNCOAVSWHHG-FUHWJXTLSA-N 1 1 482.050 2.962 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001294647090 1062180757 /nfs/dbraw/zinc/18/07/57/1062180757.db2.gz BHTMPZJKXGBCEJ-GOSISDBHSA-N 1 1 461.632 2.696 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294647242 1062181675 /nfs/dbraw/zinc/18/16/75/1062181675.db2.gz RQMOCRKFBLQIOJ-MRXNPFEDSA-N 1 1 463.989 2.931 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294648032 1062185756 /nfs/dbraw/zinc/18/57/56/1062185756.db2.gz YCRJJUGGHZJVRT-LJQANCHMSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001294649626 1062192078 /nfs/dbraw/zinc/19/20/78/1062192078.db2.gz FFUXVWNDVDBHJX-MOPGFXCFSA-N 1 1 450.591 2.563 20 0 JFADMO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cs1 ZINC001290431740 1062193056 /nfs/dbraw/zinc/19/30/56/1062193056.db2.gz JKYDDKAICBMNSV-IEBWSBKVSA-N 1 1 459.664 2.669 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCNC(=O)C2)C1 ZINC001294650872 1062195631 /nfs/dbraw/zinc/19/56/31/1062195631.db2.gz WHVHTXZWHJJOFD-INIZCTEOSA-N 1 1 461.408 2.684 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655714 1062200389 /nfs/dbraw/zinc/20/03/89/1062200389.db2.gz BZCSKJPMMLXXJV-LEWJYISDSA-N 1 1 475.659 2.947 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655886 1062200838 /nfs/dbraw/zinc/20/08/38/1062200838.db2.gz DDXDKLJRJYEYNK-SQNIBIBYSA-N 1 1 466.677 2.609 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655722 1062201281 /nfs/dbraw/zinc/20/12/81/1062201281.db2.gz BZCSKJPMMLXXJV-SFTDATJTSA-N 1 1 475.659 2.947 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658018 1062203071 /nfs/dbraw/zinc/20/30/71/1062203071.db2.gz NOHKCOVHJHMEAA-AABGKKOBSA-N 1 1 478.638 2.544 20 0 JFADMO Cc1nc(Cc2nnc(N3CC[NH+](CC4CC4)CC3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290435261 1062204036 /nfs/dbraw/zinc/20/40/36/1062204036.db2.gz LJRIDCJGYGHZHC-SSEXGKCCSA-N 1 1 450.678 2.713 20 0 JFADMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCOCC2)C1 ZINC001287072242 1062206591 /nfs/dbraw/zinc/20/65/91/1062206591.db2.gz VWWGRQBXGYEPQB-HXUWFJFHSA-N 1 1 462.639 2.837 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658974 1062206757 /nfs/dbraw/zinc/20/67/57/1062206757.db2.gz SWIYESCORGQANO-SFHVURJKSA-N 1 1 452.669 2.576 20 0 JFADMO CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC001290436094 1062206713 /nfs/dbraw/zinc/20/67/13/1062206713.db2.gz MQXNFZLXSIVVPU-UHFFFAOYSA-N 1 1 456.591 2.584 20 0 JFADMO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H]2CO)cs1 ZINC001290439555 1062207373 /nfs/dbraw/zinc/20/73/73/1062207373.db2.gz GDKRLKKYUKRPIJ-QFBILLFUSA-N 1 1 450.678 2.812 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294661007 1062211665 /nfs/dbraw/zinc/21/16/65/1062211665.db2.gz HYNDZBPVBGOQNG-TZIWHRDSSA-N 1 1 463.623 2.753 20 0 JFADMO Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCCn3cc[nH+]c3C)C2)no1 ZINC001290441583 1062213327 /nfs/dbraw/zinc/21/33/27/1062213327.db2.gz JQFYVVFWNNZDJE-LJQANCHMSA-N 1 1 469.594 2.552 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294663135 1062216222 /nfs/dbraw/zinc/21/62/22/1062216222.db2.gz RFVBMDHBZDFIGH-NRFANRHFSA-N 1 1 468.650 2.626 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666644 1062219810 /nfs/dbraw/zinc/21/98/10/1062219810.db2.gz IHQDOKJBXBVPBC-HXUWFJFHSA-N 1 1 470.618 2.703 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667539 1062222175 /nfs/dbraw/zinc/22/21/75/1062222175.db2.gz APCIEFTWTNFPNS-VXKWHMMOSA-N 1 1 459.660 2.809 20 0 JFADMO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224679 /nfs/dbraw/zinc/22/46/79/1062224679.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224700 /nfs/dbraw/zinc/22/47/00/1062224700.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 1 1 475.726 2.539 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670349 1062228019 /nfs/dbraw/zinc/22/80/19/1062228019.db2.gz SMKLCANDIYSGOB-LEWJYISDSA-N 1 1 475.659 2.829 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294670698 1062228790 /nfs/dbraw/zinc/22/87/90/1062228790.db2.gz UWUBGYKSQXYNCQ-JOCHJYFZSA-N 1 1 470.666 2.566 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294672107 1062231006 /nfs/dbraw/zinc/23/10/06/1062231006.db2.gz YJLJFYLCASGMGE-UNMCSNQZSA-N 1 1 475.659 2.911 20 0 JFADMO CCC[N@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294672070 1062231240 /nfs/dbraw/zinc/23/12/40/1062231240.db2.gz XMSOJVHQXVLIKN-VQTJNVASSA-N 1 1 462.639 2.692 20 0 JFADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294674933 1062234362 /nfs/dbraw/zinc/23/43/62/1062234362.db2.gz OUEKCPRFVUYFBB-UWVAXJGDSA-N 1 1 466.030 2.757 20 0 JFADMO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001294687841 1062248220 /nfs/dbraw/zinc/24/82/20/1062248220.db2.gz RJFPSFVHOUFRFX-XMMPIXPASA-N 1 1 469.678 2.931 20 0 JFADMO CCC(CC)[C@H](CNC(=O)c1ccc(Br)cc1-n1cncn1)[NH+]1CCOCC1 ZINC001290465463 1062250121 /nfs/dbraw/zinc/25/01/21/1062250121.db2.gz JYNVERBJPCSKOH-IBGZPJMESA-N 1 1 450.381 2.897 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697613 1062260045 /nfs/dbraw/zinc/26/00/45/1062260045.db2.gz VCGZRQWBYBWNAX-WCXIOVBPSA-N 1 1 480.601 2.787 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294697991 1062260091 /nfs/dbraw/zinc/26/00/91/1062260091.db2.gz HQFYHJIGCDXEDU-HXUWFJFHSA-N 1 1 489.068 2.516 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294698952 1062262461 /nfs/dbraw/zinc/26/24/61/1062262461.db2.gz LUYWWMNHYYLQKM-FQEVSTJZSA-N 1 1 478.663 2.971 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294699319 1062263573 /nfs/dbraw/zinc/26/35/73/1062263573.db2.gz OREQPDUVAQPQKG-VQTJNVASSA-N 1 1 458.611 2.658 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001294699551 1062264271 /nfs/dbraw/zinc/26/42/71/1062264271.db2.gz QGGIBXZBRMUGMZ-QFIPXVFZSA-N 1 1 464.618 2.939 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001294700396 1062265776 /nfs/dbraw/zinc/26/57/76/1062265776.db2.gz SEPKCLCLVATTBE-ICSRJNTNSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001294700400 1062266025 /nfs/dbraw/zinc/26/60/25/1062266025.db2.gz SEPKCLCLVATTBE-UYAOXDASSA-N 1 1 470.618 2.799 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294701132 1062266840 /nfs/dbraw/zinc/26/68/40/1062266840.db2.gz WVCBTNKVODCGOZ-MOPGFXCFSA-N 1 1 470.618 2.894 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001294701393 1062267254 /nfs/dbraw/zinc/26/72/54/1062267254.db2.gz ZDKMOSXWXVHTIG-KRWDZBQOSA-N 1 1 469.055 2.848 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294705894 1062269681 /nfs/dbraw/zinc/26/96/81/1062269681.db2.gz FICFZRBVKHVORR-RBUKOAKNSA-N 1 1 454.685 2.601 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C ZINC001294706402 1062270185 /nfs/dbraw/zinc/27/01/85/1062270185.db2.gz JXZSAOWTVPDKGM-JOCHJYFZSA-N 1 1 497.692 2.677 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294706714 1062270359 /nfs/dbraw/zinc/27/03/59/1062270359.db2.gz CSKSMGBSPHEBQW-LEWJYISDSA-N 1 1 460.648 2.536 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294707197 1062271149 /nfs/dbraw/zinc/27/11/49/1062271149.db2.gz FEVDWRLQGIEFSU-FPOVZHCZSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294707195 1062271230 /nfs/dbraw/zinc/27/12/30/1062271230.db2.gz FEVDWRLQGIEFSU-CTNGQTDRSA-N 1 1 454.619 2.809 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294707877 1062272852 /nfs/dbraw/zinc/27/28/52/1062272852.db2.gz BTAWIJKFIBSYRC-JQYIIUTOSA-N 1 1 490.693 2.936 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 ZINC001294708407 1062274233 /nfs/dbraw/zinc/27/42/33/1062274233.db2.gz ISZMWOJJMDSIAI-QFIPXVFZSA-N 1 1 454.619 2.833 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294708349 1062274560 /nfs/dbraw/zinc/27/45/60/1062274560.db2.gz IKMQLWXKBHHRJD-NRFANRHFSA-N 1 1 475.659 2.571 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294708523 1062275488 /nfs/dbraw/zinc/27/54/88/1062275488.db2.gz RHBNUNPJBJETBO-YTFSRNRJSA-N 1 1 489.709 2.821 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709376 1062277029 /nfs/dbraw/zinc/27/70/29/1062277029.db2.gz VGCFGCOAYBURDM-SFTDATJTSA-N 1 1 462.639 2.961 20 0 JFADMO CCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C ZINC001294709451 1062277556 /nfs/dbraw/zinc/27/75/56/1062277556.db2.gz MARGQOWKIJOIMN-KRWDZBQOSA-N 1 1 463.030 2.688 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001294710103 1062278154 /nfs/dbraw/zinc/27/81/54/1062278154.db2.gz OAXHFYFGVKFDLO-QKNQBKEWSA-N 1 1 462.664 2.786 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294711000 1062279383 /nfs/dbraw/zinc/27/93/83/1062279383.db2.gz OWBCTMYQGLVUAJ-ZWKOTPCHSA-N 1 1 456.557 3.000 20 0 JFADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294710998 1062279491 /nfs/dbraw/zinc/27/94/91/1062279491.db2.gz OWBCTMYQGLVUAJ-QZTJIDSGSA-N 1 1 456.557 3.000 20 0 JFADMO CC(C)(Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001287090428 1062282278 /nfs/dbraw/zinc/28/22/78/1062282278.db2.gz GJHSHCZHIGEMJS-QGZVFWFLSA-N 1 1 461.010 2.801 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)CC2)cc1F ZINC001290500984 1062292245 /nfs/dbraw/zinc/29/22/45/1062292245.db2.gz GXZUHXFOLJBLSC-CQSZACIVSA-N 1 1 497.547 2.805 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCC(F)(F)F)cn1 ZINC001290500889 1062292389 /nfs/dbraw/zinc/29/23/89/1062292389.db2.gz GAJIJYGDHJZWOY-UHFFFAOYSA-N 1 1 462.480 2.840 20 0 JFADMO Cc1[nH+]ccn1-c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC001290501557 1062294595 /nfs/dbraw/zinc/29/45/95/1062294595.db2.gz ONIVSQUBVVNHGW-VQIMIIECSA-N 1 1 486.646 2.698 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C ZINC001290503515 1062299309 /nfs/dbraw/zinc/29/93/09/1062299309.db2.gz JDXDHSBQUMVPSH-UHFFFAOYSA-N 1 1 462.562 2.589 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 ZINC001290504608 1062301731 /nfs/dbraw/zinc/30/17/31/1062301731.db2.gz WIQBCDWMQFVDEG-TVRKMHQQSA-N 1 1 451.641 2.889 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001290506010 1062303284 /nfs/dbraw/zinc/30/32/84/1062303284.db2.gz FXTIVRNELMJJQZ-LAUBAEHRSA-N 1 1 483.539 2.744 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001294724319 1062303985 /nfs/dbraw/zinc/30/39/85/1062303985.db2.gz CRWFDNSJMSKJCT-HXUWFJFHSA-N 1 1 454.619 2.677 20 0 JFADMO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001294724319 1062304004 /nfs/dbraw/zinc/30/40/04/1062304004.db2.gz CRWFDNSJMSKJCT-HXUWFJFHSA-N 1 1 454.619 2.677 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001290507359 1062305275 /nfs/dbraw/zinc/30/52/75/1062305275.db2.gz KYISELQNEUACNH-LJQANCHMSA-N 1 1 490.605 2.995 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001290507368 1062305515 /nfs/dbraw/zinc/30/55/15/1062305515.db2.gz NQSOFIPNJPVVRT-MRXNPFEDSA-N 1 1 457.604 2.986 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001290508029 1062306244 /nfs/dbraw/zinc/30/62/44/1062306244.db2.gz QJZMPTXGQIXRRW-GOSISDBHSA-N 1 1 455.529 2.842 20 0 JFADMO Cc1[nH+]ccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001290508424 1062306911 /nfs/dbraw/zinc/30/69/11/1062306911.db2.gz SVBGOSLRQNYHBR-SOLBZPMBSA-N 1 1 470.590 2.893 20 0 JFADMO CC(C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287100192 1062308986 /nfs/dbraw/zinc/30/89/86/1062308986.db2.gz DUGBBEBLWIQFKT-UHFFFAOYSA-N 1 1 483.705 2.724 20 0 JFADMO CC(C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287100192 1062309005 /nfs/dbraw/zinc/30/90/05/1062309005.db2.gz DUGBBEBLWIQFKT-UHFFFAOYSA-N 1 1 483.705 2.724 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCS(C)(=O)=O ZINC001290511444 1062310774 /nfs/dbraw/zinc/31/07/74/1062310774.db2.gz VCSVTECKTGOMBH-UHFFFAOYSA-N 1 1 484.424 2.502 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC001290514643 1062313320 /nfs/dbraw/zinc/31/33/20/1062313320.db2.gz AIYFZSYFIBVDBP-NRFANRHFSA-N 1 1 464.618 2.848 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001290515356 1062314950 /nfs/dbraw/zinc/31/49/50/1062314950.db2.gz XUCVLUYKKMZYIB-ZDUSSCGKSA-N 1 1 464.393 2.676 20 0 JFADMO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC001294733629 1062315274 /nfs/dbraw/zinc/31/52/74/1062315274.db2.gz GTCYJABKZMKYCJ-UHFFFAOYSA-N 1 1 499.679 2.730 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001290517188 1062316953 /nfs/dbraw/zinc/31/69/53/1062316953.db2.gz AXMHTWDODQVDPP-INIZCTEOSA-N 1 1 457.966 2.773 20 0 JFADMO Cc1[nH+]ccn1CCCn1c(N2CCC[C@@H](NC(=O)C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001290517689 1062317806 /nfs/dbraw/zinc/31/78/06/1062317806.db2.gz HGSATZLNXHWOPZ-BWKNWUBXSA-N 1 1 487.649 2.655 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001290521508 1062320857 /nfs/dbraw/zinc/32/08/57/1062320857.db2.gz KGRYGYOOVWGCCZ-CVEARBPZSA-N 1 1 464.567 2.632 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001290521714 1062321788 /nfs/dbraw/zinc/32/17/88/1062321788.db2.gz MSTZASHWYZDRJZ-AWEZNQCLSA-N 1 1 458.364 2.580 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001290521922 1062322392 /nfs/dbraw/zinc/32/23/92/1062322392.db2.gz DAZIIEJFDQZHEQ-RTBURBONSA-N 1 1 459.595 2.728 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001290522252 1062322846 /nfs/dbraw/zinc/32/28/46/1062322846.db2.gz VZVNTUYVQIVVIQ-GOSISDBHSA-N 1 1 464.393 2.676 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)NC(C)C ZINC001290522062 1062323114 /nfs/dbraw/zinc/32/31/14/1062323114.db2.gz USOSCQGLABFXLU-UHFFFAOYSA-N 1 1 460.380 2.874 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001290523411 1062323445 /nfs/dbraw/zinc/32/34/45/1062323445.db2.gz OJRPVWLERZUGRQ-GFCCVEGCSA-N 1 1 465.402 2.755 20 0 JFADMO O=C(c1ccc(Br)cc1-n1cnnn1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001290522488 1062323676 /nfs/dbraw/zinc/32/36/76/1062323676.db2.gz CGDBHBKHWDNKDR-UHFFFAOYSA-N 1 1 459.323 2.912 20 0 JFADMO O=C(c1ccc(Br)cc1-n1cnnn1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001290522488 1062323698 /nfs/dbraw/zinc/32/36/98/1062323698.db2.gz CGDBHBKHWDNKDR-UHFFFAOYSA-N 1 1 459.323 2.912 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001290524117 1062324350 /nfs/dbraw/zinc/32/43/50/1062324350.db2.gz XSDQITICXVQJDC-AWEZNQCLSA-N 1 1 476.354 2.754 20 0 JFADMO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001290524197 1062325235 /nfs/dbraw/zinc/32/52/35/1062325235.db2.gz ZGIPMEQOGVFNEI-UHFFFAOYSA-N 1 1 462.896 2.692 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@H]1C ZINC001290524395 1062325455 /nfs/dbraw/zinc/32/54/55/1062325455.db2.gz AYHULHDEBULMDP-MJGOQNOKSA-N 1 1 489.621 2.795 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001290524484 1062325679 /nfs/dbraw/zinc/32/56/79/1062325679.db2.gz DBQKHWIMLBQVRF-RTBURBONSA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001290524481 1062325764 /nfs/dbraw/zinc/32/57/64/1062325764.db2.gz DBQKHWIMLBQVRF-MOPGFXCFSA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001290524396 1062325860 /nfs/dbraw/zinc/32/58/60/1062325860.db2.gz AYHULHDEBULMDP-PKOBYXMFSA-N 1 1 489.621 2.795 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2ccc(F)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001290524514 1062326121 /nfs/dbraw/zinc/32/61/21/1062326121.db2.gz DQYBWRZLDWEZKA-UHFFFAOYSA-N 1 1 455.582 2.760 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001290524522 1062326388 /nfs/dbraw/zinc/32/63/88/1062326388.db2.gz DUYDOHIFUNZKAZ-OAQYLSRUSA-N 1 1 463.508 2.999 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001290524920 1062326858 /nfs/dbraw/zinc/32/68/58/1062326858.db2.gz QSTNWGDPOFDZLX-IEBWSBKVSA-N 1 1 459.595 2.823 20 0 JFADMO Cc1[nH+]ccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001290524709 1062327142 /nfs/dbraw/zinc/32/71/42/1062327142.db2.gz KGMYTJUEHQNPST-GOEBONIOSA-N 1 1 464.542 2.861 20 0 JFADMO Cc1[nH+]ccn1CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001290525003 1062327420 /nfs/dbraw/zinc/32/74/20/1062327420.db2.gz UIHVTZOJMVDVOB-LJQANCHMSA-N 1 1 452.563 2.572 20 0 JFADMO CC(C)C(=O)N1CCCN(c2nnc(C(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001287112521 1062330366 /nfs/dbraw/zinc/33/03/66/1062330366.db2.gz SMYMJYZSBFQVLF-UHFFFAOYSA-N 1 1 482.677 2.704 20 0 JFADMO C[C@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC001294743136 1062330899 /nfs/dbraw/zinc/33/08/99/1062330899.db2.gz WPQWVBIDULVCLR-OHNRDTAOSA-N 1 1 459.509 2.765 20 0 JFADMO C[C@H](NC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC001294743136 1062330921 /nfs/dbraw/zinc/33/09/21/1062330921.db2.gz WPQWVBIDULVCLR-OHNRDTAOSA-N 1 1 459.509 2.765 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001294743756 1062333023 /nfs/dbraw/zinc/33/30/23/1062333023.db2.gz HEOANYKWCDTRGS-QFIPXVFZSA-N 1 1 487.693 2.956 20 0 JFADMO CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287113756 1062333810 /nfs/dbraw/zinc/33/38/10/1062333810.db2.gz OBVGQMUWGAWWSJ-HXUWFJFHSA-N 1 1 464.618 2.504 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001294744311 1062336073 /nfs/dbraw/zinc/33/60/73/1062336073.db2.gz QWAMQGJNTUHIKL-RTWAWAEBSA-N 1 1 487.693 2.767 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294745760 1062338420 /nfs/dbraw/zinc/33/84/20/1062338420.db2.gz WLBDONCTGQNUDQ-GOTSBHOMSA-N 1 1 468.646 2.989 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294746022 1062339055 /nfs/dbraw/zinc/33/90/55/1062339055.db2.gz YMGRMCIIQJSTIS-HKUYNNGSSA-N 1 1 486.617 2.547 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294748192 1062339648 /nfs/dbraw/zinc/33/96/48/1062339648.db2.gz AVCAPAJSEZHYHA-NRFANRHFSA-N 1 1 490.674 2.688 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294751795 1062340897 /nfs/dbraw/zinc/34/08/97/1062340897.db2.gz YKGDHDNGZZFLDC-DFBJGRDBSA-N 1 1 470.618 2.799 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC001287115425 1062341818 /nfs/dbraw/zinc/34/18/18/1062341818.db2.gz IPSUNBVWECLYGH-GOTSBHOMSA-N 1 1 468.646 2.757 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001294754053 1062342753 /nfs/dbraw/zinc/34/27/53/1062342753.db2.gz VGIGNTRKPYVUCY-OALUTQOASA-N 1 1 489.665 2.987 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 ZINC001294754219 1062343248 /nfs/dbraw/zinc/34/32/48/1062343248.db2.gz CMHWUWLAYLROSN-FQEVSTJZSA-N 1 1 489.665 2.593 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1[C@H]1CCCO1 ZINC001294754189 1062343308 /nfs/dbraw/zinc/34/33/08/1062343308.db2.gz OHOWXXHTFZMWBN-JSXRDJHFSA-N 1 1 453.624 2.534 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294754291 1062343348 /nfs/dbraw/zinc/34/33/48/1062343348.db2.gz WXJCXEYKRPMVDT-KRWDZBQOSA-N 1 1 480.539 2.504 20 0 JFADMO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1[C@@H]1CCCO1 ZINC001294754186 1062343388 /nfs/dbraw/zinc/34/33/88/1062343388.db2.gz OHOWXXHTFZMWBN-BQJUDKOJSA-N 1 1 453.624 2.534 20 0 JFADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001287115824 1062343617 /nfs/dbraw/zinc/34/36/17/1062343617.db2.gz LYAWXIYRFAAUIY-MOPGFXCFSA-N 1 1 494.600 2.562 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001290542677 1062344006 /nfs/dbraw/zinc/34/40/06/1062344006.db2.gz SYWUCLBWDJGQCY-BXKMTCNYSA-N 1 1 459.639 2.788 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294755269 1062345399 /nfs/dbraw/zinc/34/53/99/1062345399.db2.gz OMLOTCFAPFIGCQ-MOPGFXCFSA-N 1 1 486.583 2.941 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001294756707 1062346820 /nfs/dbraw/zinc/34/68/20/1062346820.db2.gz FBAYUNNWSHHMLN-FQEVSTJZSA-N 1 1 458.632 2.636 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294757166 1062347426 /nfs/dbraw/zinc/34/74/26/1062347426.db2.gz JSQOCZWTOHFLJL-FPOVZHCZSA-N 1 1 459.664 2.861 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294757155 1062347472 /nfs/dbraw/zinc/34/74/72/1062347472.db2.gz JOQJVVVXDJAKJP-UXHICEINSA-N 1 1 489.665 2.721 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001290547439 1062348162 /nfs/dbraw/zinc/34/81/62/1062348162.db2.gz MILKLINXUHRVLC-JTSKRJEESA-N 1 1 464.618 2.736 20 0 JFADMO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294758078 1062348535 /nfs/dbraw/zinc/34/85/35/1062348535.db2.gz SVCFFYUPTNMWBE-NRFANRHFSA-N 1 1 459.664 2.955 20 0 JFADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccccc2F)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290548855 1062351090 /nfs/dbraw/zinc/35/10/90/1062351090.db2.gz GVJZECIZEGZMOP-SFHVURJKSA-N 1 1 485.608 2.951 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001287117735 1062352981 /nfs/dbraw/zinc/35/29/81/1062352981.db2.gz IOFXTSMTTFPPGY-FQEVSTJZSA-N 1 1 474.675 2.782 20 0 JFADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001287117735 1062353001 /nfs/dbraw/zinc/35/30/01/1062353001.db2.gz IOFXTSMTTFPPGY-FQEVSTJZSA-N 1 1 474.675 2.782 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287120466 1062363755 /nfs/dbraw/zinc/36/37/55/1062363755.db2.gz MCDSVPPOVZJFBH-LJQANCHMSA-N 1 1 456.639 2.684 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3ccccc3F)n2CCC(C)(C)O)CC1 ZINC001290563307 1062365429 /nfs/dbraw/zinc/36/54/29/1062365429.db2.gz MGYFAATZLNMBAH-UHFFFAOYSA-N 1 1 485.608 2.830 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001290563726 1062366109 /nfs/dbraw/zinc/36/61/09/1062366109.db2.gz IMJUPRJMMDUZPV-UHFFFAOYSA-N 1 1 478.645 2.780 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001287121806 1062369045 /nfs/dbraw/zinc/36/90/45/1062369045.db2.gz GNGXUGKPRFGYMT-NRFANRHFSA-N 1 1 487.693 2.796 20 0 JFADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccccc2F)CC1 ZINC001290566975 1062370097 /nfs/dbraw/zinc/37/00/97/1062370097.db2.gz SVUSEDLENMUUPN-UHFFFAOYSA-N 1 1 496.635 2.861 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001294776187 1062375517 /nfs/dbraw/zinc/37/55/17/1062375517.db2.gz GUTVDUVJXFLMOI-HSZRJFAPSA-N 1 1 498.672 2.907 20 0 JFADMO CCCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001294776187 1062375540 /nfs/dbraw/zinc/37/55/40/1062375540.db2.gz GUTVDUVJXFLMOI-HSZRJFAPSA-N 1 1 498.672 2.907 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCOCC2)CC1 ZINC001287123232 1062376405 /nfs/dbraw/zinc/37/64/05/1062376405.db2.gz GZNDAHLAOWQUGQ-UHFFFAOYSA-N 1 1 490.599 2.610 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)C1 ZINC001287124798 1062383833 /nfs/dbraw/zinc/38/38/33/1062383833.db2.gz KFCQDXXHTQTEDZ-JOCHJYFZSA-N 1 1 476.629 2.856 20 0 JFADMO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@H+](CC(C)C)C3)C2)n1 ZINC001290578160 1062384296 /nfs/dbraw/zinc/38/42/96/1062384296.db2.gz NRPFFDZOYVMEPD-VXKWHMMOSA-N 1 1 485.681 2.834 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001287124904 1062384837 /nfs/dbraw/zinc/38/48/37/1062384837.db2.gz XNQCTVMYLJRXSQ-HSZRJFAPSA-N 1 1 489.709 2.534 20 0 JFADMO CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001287126941 1062394334 /nfs/dbraw/zinc/39/43/34/1062394334.db2.gz GDDCBQGZWDTTTG-IFMALSPDSA-N 1 1 487.693 2.872 20 0 JFADMO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287127623 1062396309 /nfs/dbraw/zinc/39/63/09/1062396309.db2.gz KYEBSRBJPNNICU-QHCPKHFHSA-N 1 1 478.645 2.942 20 0 JFADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789767 1062398360 /nfs/dbraw/zinc/39/83/60/1062398360.db2.gz RZABMOYOCZNHDF-URXFXBBRSA-N 1 1 451.567 2.790 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001290597297 1062418041 /nfs/dbraw/zinc/41/80/41/1062418041.db2.gz CTBLWIZVDMUVRQ-LJQANCHMSA-N 1 1 485.658 2.662 20 0 JFADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001294794379 1062421473 /nfs/dbraw/zinc/42/14/73/1062421473.db2.gz HOJAHKLFBWWDIX-RBBKRZOGSA-N 1 1 476.629 2.998 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290603430 1062434715 /nfs/dbraw/zinc/43/47/15/1062434715.db2.gz DJIHDNBSEYHFAB-FQEVSTJZSA-N 1 1 465.593 2.978 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001290605709 1062442998 /nfs/dbraw/zinc/44/29/98/1062442998.db2.gz NGPGIRUWBDDVHM-SFHVURJKSA-N 1 1 457.648 2.848 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290612607 1062457930 /nfs/dbraw/zinc/45/79/30/1062457930.db2.gz PEMCLIPRNLZRAR-OYRHEFFESA-N 1 1 461.655 2.890 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001290613007 1062460775 /nfs/dbraw/zinc/46/07/75/1062460775.db2.gz ZMYKNPWARZUVIW-NRFANRHFSA-N 1 1 461.655 2.748 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001294810053 1062465979 /nfs/dbraw/zinc/46/59/79/1062465979.db2.gz AYJKPHOLWKSXOL-UHFFFAOYSA-N 1 1 487.693 2.911 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617586 1062471561 /nfs/dbraw/zinc/47/15/61/1062471561.db2.gz KPKDHMHVGJSZBQ-WOJBJXKFSA-N 1 1 472.638 2.680 20 0 JFADMO CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001287138768 1062487211 /nfs/dbraw/zinc/48/72/11/1062487211.db2.gz LBJBRKXMFKYFJR-RTBURBONSA-N 1 1 460.648 2.889 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(c4nc(C)no4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001290624060 1062487988 /nfs/dbraw/zinc/48/79/88/1062487988.db2.gz HSXXVNVMZNEJMD-UHFFFAOYSA-N 1 1 455.611 2.945 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2cnn(C)c2C)n1 ZINC001290625841 1062496471 /nfs/dbraw/zinc/49/64/71/1062496471.db2.gz PMQPJYLHLWAZBR-UHFFFAOYSA-N 1 1 453.639 2.787 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001294819548 1062498451 /nfs/dbraw/zinc/49/84/51/1062498451.db2.gz IHCRXLCSHUTUTD-UHFFFAOYSA-N 1 1 468.646 2.972 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@@H+](C)Cc2ccccc2)n1 ZINC001290626077 1062498318 /nfs/dbraw/zinc/49/83/18/1062498318.db2.gz UGYYWKKBWOWUIW-UHFFFAOYSA-N 1 1 492.672 2.966 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001294822107 1062505480 /nfs/dbraw/zinc/50/54/80/1062505480.db2.gz JQIFNNXPBSXNHC-QFIPXVFZSA-N 1 1 468.646 2.843 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001294822106 1062505541 /nfs/dbraw/zinc/50/55/41/1062505541.db2.gz JQIFNNXPBSXNHC-JOCHJYFZSA-N 1 1 468.646 2.843 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001287144707 1062508777 /nfs/dbraw/zinc/50/87/77/1062508777.db2.gz IBFMXMYDCQBKTQ-WIYYLYMNSA-N 1 1 464.408 2.635 20 0 JFADMO CC(C)[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001287144707 1062508797 /nfs/dbraw/zinc/50/87/97/1062508797.db2.gz IBFMXMYDCQBKTQ-WIYYLYMNSA-N 1 1 464.408 2.635 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001290633308 1062511180 /nfs/dbraw/zinc/51/11/80/1062511180.db2.gz QOFMFEBUJMDICK-QFBILLFUSA-N 1 1 451.566 2.590 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294827764 1062513954 /nfs/dbraw/zinc/51/39/54/1062513954.db2.gz GSBMRRRDOZYXJS-RZUBCFFCSA-N 1 1 487.693 2.730 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001287148450 1062516046 /nfs/dbraw/zinc/51/60/46/1062516046.db2.gz GQCXJJVFQODQCB-OTNCWRBYSA-N 1 1 489.686 2.688 20 0 JFADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001287148450 1062516059 /nfs/dbraw/zinc/51/60/59/1062516059.db2.gz GQCXJJVFQODQCB-OTNCWRBYSA-N 1 1 489.686 2.688 20 0 JFADMO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001287151124 1062522370 /nfs/dbraw/zinc/52/23/70/1062522370.db2.gz RFZLUWQODARQQT-UZINWLIJSA-N 1 1 470.662 2.997 20 0 JFADMO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001294834410 1062524607 /nfs/dbraw/zinc/52/46/07/1062524607.db2.gz QVAISQNQKPZMFJ-PMVMPFDFSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001287152753 1062527448 /nfs/dbraw/zinc/52/74/48/1062527448.db2.gz JOPQFYYFYKPARW-HXUWFJFHSA-N 1 1 473.710 2.806 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001290640832 1062527907 /nfs/dbraw/zinc/52/79/07/1062527907.db2.gz RZVUXZQXURLZDW-UHFFFAOYSA-N 1 1 479.695 2.665 20 0 JFADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287153086 1062529729 /nfs/dbraw/zinc/52/97/29/1062529729.db2.gz MBSWJROGYCZVAU-CJAUYULYSA-N 1 1 472.609 2.528 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCCOC(F)(F)F)n1 ZINC001290641589 1062530467 /nfs/dbraw/zinc/53/04/67/1062530467.db2.gz YAJJVJPLJPPXEQ-UHFFFAOYSA-N 1 1 495.554 2.512 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287154612 1062536951 /nfs/dbraw/zinc/53/69/51/1062536951.db2.gz ZGCAXQPAGIDKOM-FQEVSTJZSA-N 1 1 483.661 2.828 20 0 JFADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287154612 1062536972 /nfs/dbraw/zinc/53/69/72/1062536972.db2.gz ZGCAXQPAGIDKOM-FQEVSTJZSA-N 1 1 483.661 2.828 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290646941 1062539135 /nfs/dbraw/zinc/53/91/35/1062539135.db2.gz ALIKDLVMEBZIMK-HXUWFJFHSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290646941 1062539155 /nfs/dbraw/zinc/53/91/55/1062539155.db2.gz ALIKDLVMEBZIMK-HXUWFJFHSA-N 1 1 459.639 2.502 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2CCNC(=O)C(C)C)n1 ZINC001290647744 1062543097 /nfs/dbraw/zinc/54/30/97/1062543097.db2.gz PBXOOTNCQRKNOK-JOCHJYFZSA-N 1 1 478.645 2.623 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCCCCO)n1 ZINC001290648374 1062544927 /nfs/dbraw/zinc/54/49/27/1062544927.db2.gz UAFPEQOAIQBYNW-UHFFFAOYSA-N 1 1 455.582 2.764 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001290649514 1062547246 /nfs/dbraw/zinc/54/72/46/1062547246.db2.gz RIRLYFWAUMVIHL-JOCHJYFZSA-N 1 1 459.639 2.644 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001290651312 1062549630 /nfs/dbraw/zinc/54/96/30/1062549630.db2.gz ARJJUKYHJPPFNK-AAIMPIBUSA-N 1 1 451.619 2.867 20 0 JFADMO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001290651313 1062549809 /nfs/dbraw/zinc/54/98/09/1062549809.db2.gz ARJJUKYHJPPFNK-JZWVFAODSA-N 1 1 451.619 2.867 20 0 JFADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC001287159082 1062554876 /nfs/dbraw/zinc/55/48/76/1062554876.db2.gz ABBKTQURZLCKAA-JOCHJYFZSA-N 1 1 489.709 2.951 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287159477 1062556232 /nfs/dbraw/zinc/55/62/32/1062556232.db2.gz MRBFVIYUXCSGHG-LJQANCHMSA-N 1 1 458.573 2.977 20 0 JFADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001287160721 1062561072 /nfs/dbraw/zinc/56/10/72/1062561072.db2.gz TZOFJGVTCGXQIH-SLFFLAALSA-N 1 1 488.599 2.949 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCOCC1 ZINC001287161262 1062562143 /nfs/dbraw/zinc/56/21/43/1062562143.db2.gz WZXODCLWYGGVEU-RBUKOAKNSA-N 1 1 486.583 2.797 20 0 JFADMO Cc1cc(C)n(CC2CCN(c3nnc(C(=O)NC(C)C)n3CCCn3cc[nH+]c3C)CC2)n1 ZINC001290659940 1062564969 /nfs/dbraw/zinc/56/49/69/1062564969.db2.gz NWHSBIQCOPBXAO-UHFFFAOYSA-N 1 1 467.622 2.741 20 0 JFADMO Cc1cc(C)n(C[C@@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)n1 ZINC001290660333 1062566561 /nfs/dbraw/zinc/56/65/61/1062566561.db2.gz MAPUBSLJESAQBF-QHCPKHFHSA-N 1 1 466.634 2.713 20 0 JFADMO CC(C)[C@H](Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1)[NH+]1CCOCC1 ZINC001287163172 1062567740 /nfs/dbraw/zinc/56/77/40/1062567740.db2.gz NSSTXWDATPFLBG-UNMCSNQZSA-N 1 1 468.646 2.805 20 0 JFADMO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163230 1062568108 /nfs/dbraw/zinc/56/81/08/1062568108.db2.gz BZHAJRLQTLLZTB-YPAWHYETSA-N 1 1 490.693 2.865 20 0 JFADMO CC(C)[C@H](Cn1c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163264 1062568451 /nfs/dbraw/zinc/56/84/51/1062568451.db2.gz CIUOFVZOKXJFMZ-RPWUZVMVSA-N 1 1 489.753 2.927 20 0 JFADMO CC(C)[C@@H](Cn1c(C2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287163472 1062569809 /nfs/dbraw/zinc/56/98/09/1062569809.db2.gz RISVFHQWTXLCRT-WOJBJXKFSA-N 1 1 462.639 2.958 20 0 JFADMO CC(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001287164084 1062573107 /nfs/dbraw/zinc/57/31/07/1062573107.db2.gz YEPABRSZIYWKKI-WTNAPCKOSA-N 1 1 463.573 2.711 20 0 JFADMO CCCNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294870104 1062575247 /nfs/dbraw/zinc/57/52/47/1062575247.db2.gz HELDXJBDDBZARR-OAQYLSRUSA-N 1 1 484.645 2.592 20 0 JFADMO CCCNC(=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294870104 1062575268 /nfs/dbraw/zinc/57/52/68/1062575268.db2.gz HELDXJBDDBZARR-OAQYLSRUSA-N 1 1 484.645 2.592 20 0 JFADMO Cc1cc(C)n(CCCn2c(-c3cccnc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290667579 1062578057 /nfs/dbraw/zinc/57/80/57/1062578057.db2.gz ZXHZFTJSSVXGKY-OYRHEFFESA-N 1 1 452.607 2.789 20 0 JFADMO Cc1cc(C)n(CCCn2c(-c3cccnc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290667579 1062578080 /nfs/dbraw/zinc/57/80/80/1062578080.db2.gz ZXHZFTJSSVXGKY-OYRHEFFESA-N 1 1 452.607 2.789 20 0 JFADMO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC001290667844 1062578825 /nfs/dbraw/zinc/57/88/25/1062578825.db2.gz RXUCJCDRUOTTLP-DEOSSOPVSA-N 1 1 486.709 2.611 20 0 JFADMO CC(C)c1csc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC001287167332 1062579910 /nfs/dbraw/zinc/57/99/10/1062579910.db2.gz OXKFEAQFXSSDJT-UHFFFAOYSA-N 1 1 489.690 2.937 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001290672564 1062581548 /nfs/dbraw/zinc/58/15/48/1062581548.db2.gz GYVQOIATNYTRQS-UHFFFAOYSA-N 1 1 454.575 2.638 20 0 JFADMO CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC001290672564 1062581567 /nfs/dbraw/zinc/58/15/67/1062581567.db2.gz GYVQOIATNYTRQS-UHFFFAOYSA-N 1 1 454.575 2.638 20 0 JFADMO CCCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294876550 1062588080 /nfs/dbraw/zinc/58/80/80/1062588080.db2.gz PWGNJLDXEOKIEF-HSZRJFAPSA-N 1 1 478.645 2.792 20 0 JFADMO CCCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CC[NH+](CCOC)CC1 ZINC001294879458 1062592286 /nfs/dbraw/zinc/59/22/86/1062592286.db2.gz BQOKNELDVTYTMT-UHFFFAOYSA-N 1 1 460.648 2.570 20 0 JFADMO CCCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001294882875 1062596504 /nfs/dbraw/zinc/59/65/04/1062596504.db2.gz HPJTZTASKXQIGJ-FXAWDEMLSA-N 1 1 492.571 2.620 20 0 JFADMO CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179811 1062605560 /nfs/dbraw/zinc/60/55/60/1062605560.db2.gz TZRVPWFXQGNUQG-IFMALSPDSA-N 1 1 489.686 2.831 20 0 JFADMO CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001294887508 1062606728 /nfs/dbraw/zinc/60/67/28/1062606728.db2.gz KGTUQVARWXOQKK-QGZVFWFLSA-N 1 1 466.989 2.811 20 0 JFADMO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001287184040 1062610289 /nfs/dbraw/zinc/61/02/89/1062610289.db2.gz LKHBFMSWCWVUTB-OALUTQOASA-N 1 1 450.628 2.844 20 0 JFADMO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001287184040 1062610296 /nfs/dbraw/zinc/61/02/96/1062610296.db2.gz LKHBFMSWCWVUTB-OALUTQOASA-N 1 1 450.628 2.844 20 0 JFADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cccc(C(N)=O)c1 ZINC001287186269 1062612619 /nfs/dbraw/zinc/61/26/19/1062612619.db2.gz WIKXXCCZSASAKF-RBBKRZOGSA-N 1 1 464.618 2.802 20 0 JFADMO CC(C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287192976 1062620252 /nfs/dbraw/zinc/62/02/52/1062620252.db2.gz MLWHBZVCSPDSOB-FQEVSTJZSA-N 1 1 452.607 2.676 20 0 JFADMO CC(C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001287192771 1062621555 /nfs/dbraw/zinc/62/15/55/1062621555.db2.gz VNECIPMBMXYEGQ-NBGIEHNGSA-N 1 1 492.734 2.987 20 0 JFADMO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001294895862 1062625644 /nfs/dbraw/zinc/62/56/44/1062625644.db2.gz WXHGNGBKQJEXPL-UHFFFAOYSA-N 1 1 464.618 2.553 20 0 JFADMO Cc1nnc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001290699584 1062634029 /nfs/dbraw/zinc/63/40/29/1062634029.db2.gz VKEUPLUVHSARKL-UHFFFAOYSA-N 1 1 459.595 2.763 20 0 JFADMO Cc1nnc(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001290699584 1062634038 /nfs/dbraw/zinc/63/40/38/1062634038.db2.gz VKEUPLUVHSARKL-UHFFFAOYSA-N 1 1 459.595 2.763 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287199058 1062634756 /nfs/dbraw/zinc/63/47/56/1062634756.db2.gz GUURVHSNRIJPNH-GOSISDBHSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287199058 1062634772 /nfs/dbraw/zinc/63/47/72/1062634772.db2.gz GUURVHSNRIJPNH-GOSISDBHSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287203852 1062647918 /nfs/dbraw/zinc/64/79/18/1062647918.db2.gz ZXTAAAUUJQHESH-QFIPXVFZSA-N 1 1 468.646 2.832 20 0 JFADMO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287203603 1062647958 /nfs/dbraw/zinc/64/79/58/1062647958.db2.gz XZBVWGKCZMINLN-UHFFFAOYSA-N 1 1 455.694 2.777 20 0 JFADMO CC(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001287207497 1062652822 /nfs/dbraw/zinc/65/28/22/1062652822.db2.gz NORMALGELVLXSW-UHFFFAOYSA-N 1 1 460.648 2.835 20 0 JFADMO Cc1nnc(N(C)CCOc2ccc(F)cc2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290737355 1062659008 /nfs/dbraw/zinc/65/90/08/1062659008.db2.gz KROUNQOGBDJLOF-UHFFFAOYSA-N 1 1 453.566 2.848 20 0 JFADMO Cc1nnc(N(C)CCOc2ccc(Cl)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001290738202 1062660257 /nfs/dbraw/zinc/66/02/57/1062660257.db2.gz ZDYPRKRQSFMUTF-OAQYLSRUSA-N 1 1 452.024 2.963 20 0 JFADMO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001290745973 1062665017 /nfs/dbraw/zinc/66/50/17/1062665017.db2.gz KCLXRVLLPFOAPP-CQSZACIVSA-N 1 1 451.394 2.869 20 0 JFADMO Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001290751248 1062669646 /nfs/dbraw/zinc/66/96/46/1062669646.db2.gz PHCPGFVOKBDAPK-UGKGYDQZSA-N 1 1 484.649 2.543 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287213837 1062672865 /nfs/dbraw/zinc/67/28/65/1062672865.db2.gz FOQXDQUVAHGUPR-FQEVSTJZSA-N 1 1 460.648 2.662 20 0 JFADMO CC(C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287214315 1062678326 /nfs/dbraw/zinc/67/83/26/1062678326.db2.gz QIWISAOFFRPSTE-UHFFFAOYSA-N 1 1 477.539 2.899 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287215207 1062684039 /nfs/dbraw/zinc/68/40/39/1062684039.db2.gz WXMVXPOFJPMJSD-QHCPKHFHSA-N 1 1 468.646 2.650 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287215393 1062685150 /nfs/dbraw/zinc/68/51/50/1062685150.db2.gz BHZXZTKUQXRFGE-LJQANCHMSA-N 1 1 463.671 2.873 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287215393 1062685157 /nfs/dbraw/zinc/68/51/57/1062685157.db2.gz BHZXZTKUQXRFGE-LJQANCHMSA-N 1 1 463.671 2.873 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287215393 1062685164 /nfs/dbraw/zinc/68/51/64/1062685164.db2.gz BHZXZTKUQXRFGE-LJQANCHMSA-N 1 1 463.671 2.873 20 0 JFADMO CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001290770422 1062687509 /nfs/dbraw/zinc/68/75/09/1062687509.db2.gz BGWZPMYDKJFAIO-UHFFFAOYSA-N 1 1 458.628 2.615 20 0 JFADMO Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001290771885 1062689588 /nfs/dbraw/zinc/68/95/88/1062689588.db2.gz XJYIMMHAJKMCPJ-JOCHJYFZSA-N 1 1 467.536 2.997 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922620 1062689845 /nfs/dbraw/zinc/68/98/45/1062689845.db2.gz CVFASOBUKZZCTO-RTBURBONSA-N 1 1 468.606 2.953 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287216159 1062690310 /nfs/dbraw/zinc/69/03/10/1062690310.db2.gz NTAGUIOEYCLVGT-GOSISDBHSA-N 1 1 450.628 2.958 20 0 JFADMO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287216159 1062690328 /nfs/dbraw/zinc/69/03/28/1062690328.db2.gz NTAGUIOEYCLVGT-GOSISDBHSA-N 1 1 450.628 2.958 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924566 1062693605 /nfs/dbraw/zinc/69/36/05/1062693605.db2.gz ISDRCHQXSZMTDZ-AZUAARDMSA-N 1 1 470.618 2.894 20 0 JFADMO Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001290793727 1062700337 /nfs/dbraw/zinc/70/03/37/1062700337.db2.gz VVODFSNNUUORTN-YADHBBJMSA-N 1 1 470.618 2.839 20 0 JFADMO Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001290793727 1062700346 /nfs/dbraw/zinc/70/03/46/1062700346.db2.gz VVODFSNNUUORTN-YADHBBJMSA-N 1 1 470.618 2.839 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928120 1062701862 /nfs/dbraw/zinc/70/18/62/1062701862.db2.gz XDHQUBPRDHFTKN-NQIIRXRSSA-N 1 1 470.618 2.942 20 0 JFADMO CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@]3(O)CCC[N@@H+](C)C3)c2)c1C(F)(F)F ZINC001290797392 1062702396 /nfs/dbraw/zinc/70/23/96/1062702396.db2.gz GSGLSWRAPJVKRI-HXUWFJFHSA-N 1 1 454.449 2.853 20 0 JFADMO CCCOc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001294928320 1062702807 /nfs/dbraw/zinc/70/28/07/1062702807.db2.gz YVMPRTUTUTUWKQ-BGYRXZFFSA-N 1 1 484.645 2.999 20 0 JFADMO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001290808997 1062710673 /nfs/dbraw/zinc/71/06/73/1062710673.db2.gz LQHQKCYAKFSJML-GOSISDBHSA-N 1 1 455.607 2.640 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934276 1062711563 /nfs/dbraw/zinc/71/15/63/1062711563.db2.gz STMFGWNKAAOZAN-NRFANRHFSA-N 1 1 486.661 2.730 20 0 JFADMO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224055 1062711564 /nfs/dbraw/zinc/71/15/64/1062711564.db2.gz RNQFYRNMTOSAOE-OAQYLSRUSA-N 1 1 462.589 2.959 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001287224602 1062712514 /nfs/dbraw/zinc/71/25/14/1062712514.db2.gz UPZIKZUNSIKSDX-XIFFEERXSA-N 1 1 472.703 2.957 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCCN1CCOCC1 ZINC001287225188 1062713121 /nfs/dbraw/zinc/71/31/21/1062713121.db2.gz WSADIRSQQXBOAG-ZRZAMGCNSA-N 1 1 461.699 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCCN1CCOCC1 ZINC001287225188 1062713142 /nfs/dbraw/zinc/71/31/42/1062713142.db2.gz WSADIRSQQXBOAG-ZRZAMGCNSA-N 1 1 461.699 2.509 20 0 JFADMO CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001287225332 1062713825 /nfs/dbraw/zinc/71/38/25/1062713825.db2.gz YVPSBJPFEFZJKK-BGYRXZFFSA-N 1 1 457.671 2.791 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001294935661 1062714054 /nfs/dbraw/zinc/71/40/54/1062714054.db2.gz XBDORYDNUVJAFQ-OAQYLSRUSA-N 1 1 451.518 2.655 20 0 JFADMO CC(C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001287229019 1062716500 /nfs/dbraw/zinc/71/65/00/1062716500.db2.gz UIMAMWXZCODUNG-QZTJIDSGSA-N 1 1 459.595 2.906 20 0 JFADMO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001287231155 1062719582 /nfs/dbraw/zinc/71/95/82/1062719582.db2.gz DIVKLVNGRJPWDH-NJDAHSKKSA-N 1 1 496.722 2.604 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCC[N@H+]2CC)cc1OC ZINC001294939730 1062721707 /nfs/dbraw/zinc/72/17/07/1062721707.db2.gz YXKDLTVBMXAWDQ-AZUAARDMSA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841657 1062730676 /nfs/dbraw/zinc/73/06/76/1062730676.db2.gz QSTMOIKOKMZXQY-TZIWHRDSSA-N 1 1 452.555 2.941 20 0 JFADMO Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001290845358 1062731735 /nfs/dbraw/zinc/73/17/35/1062731735.db2.gz IHULLOWPYQHQJR-UHFFFAOYSA-N 1 1 481.645 2.754 20 0 JFADMO Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1cccc(NC(=O)CC(C)C)c1 ZINC001290845358 1062731758 /nfs/dbraw/zinc/73/17/58/1062731758.db2.gz IHULLOWPYQHQJR-UHFFFAOYSA-N 1 1 481.645 2.754 20 0 JFADMO CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCC[N@H+]2CC)cc1OC ZINC001294947826 1062732578 /nfs/dbraw/zinc/73/25/78/1062732578.db2.gz VCPWLFLJJUXMLX-HXUWFJFHSA-N 1 1 491.658 2.852 20 0 JFADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC001290846540 1062732859 /nfs/dbraw/zinc/73/28/59/1062732859.db2.gz FELYUEQAVKYXLE-FHTPNYMGSA-N 1 1 455.580 2.616 20 0 JFADMO CCCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1OC ZINC001294949093 1062735528 /nfs/dbraw/zinc/73/55/28/1062735528.db2.gz JZJWFJTWPVVCAE-QHCPKHFHSA-N 1 1 486.661 2.663 20 0 JFADMO CCCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1OC ZINC001294949092 1062735689 /nfs/dbraw/zinc/73/56/89/1062735689.db2.gz JZJWFJTWPVVCAE-HSZRJFAPSA-N 1 1 486.661 2.663 20 0 JFADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001290861903 1062745745 /nfs/dbraw/zinc/74/57/45/1062745745.db2.gz AEDZLXYLRKZCML-MOPGFXCFSA-N 1 1 452.640 2.767 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC001287273861 1062747440 /nfs/dbraw/zinc/74/74/40/1062747440.db2.gz GJJCBYAQJFUNKN-RBUKOAKNSA-N 1 1 455.607 2.907 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001290867648 1062750230 /nfs/dbraw/zinc/75/02/30/1062750230.db2.gz QGRCQTVMIKAUIN-RJGXRXQPSA-N 1 1 473.710 2.725 20 0 JFADMO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290870016 1062755102 /nfs/dbraw/zinc/75/51/02/1062755102.db2.gz OSSOFRPEIZKCBO-XPWALMASSA-N 1 1 473.710 2.868 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CCO1 ZINC001287287452 1062761914 /nfs/dbraw/zinc/76/19/14/1062761914.db2.gz MUPMGKRUKRRLPG-NJYVYQBISA-N 1 1 492.665 2.932 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCS1 ZINC001287292576 1062766247 /nfs/dbraw/zinc/76/62/47/1062766247.db2.gz PTMUJGPUWPJGHE-OAQYLSRUSA-N 1 1 457.692 2.868 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001287292576 1062766261 /nfs/dbraw/zinc/76/62/61/1062766261.db2.gz PTMUJGPUWPJGHE-OAQYLSRUSA-N 1 1 457.692 2.868 20 0 JFADMO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCS1 ZINC001287292576 1062766278 /nfs/dbraw/zinc/76/62/78/1062766278.db2.gz PTMUJGPUWPJGHE-OAQYLSRUSA-N 1 1 457.692 2.868 20 0 JFADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001290890260 1062768263 /nfs/dbraw/zinc/76/82/63/1062768263.db2.gz BNCVYMVHRHYDAD-HXOBKFHXSA-N 1 1 451.546 2.794 20 0 JFADMO CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001290901732 1062773503 /nfs/dbraw/zinc/77/35/03/1062773503.db2.gz IWJNUTPLTFXFBS-IBGZPJMESA-N 1 1 452.640 2.671 20 0 JFADMO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287306036 1062777037 /nfs/dbraw/zinc/77/70/37/1062777037.db2.gz IPSFEHUBDRDBEE-SJBKTWHCSA-N 1 1 460.667 2.671 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001287310140 1062783028 /nfs/dbraw/zinc/78/30/28/1062783028.db2.gz WSTRHNZOIKLBPZ-NFBKMPQASA-N 1 1 456.635 2.872 20 0 JFADMO CC(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001287310140 1062783042 /nfs/dbraw/zinc/78/30/42/1062783042.db2.gz WSTRHNZOIKLBPZ-NFBKMPQASA-N 1 1 456.635 2.872 20 0 JFADMO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001295005815 1062792611 /nfs/dbraw/zinc/79/26/11/1062792611.db2.gz IBGPCXBHKQLNLY-FCHUYYIVSA-N 1 1 476.666 2.543 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014617 1062804374 /nfs/dbraw/zinc/80/43/74/1062804374.db2.gz DSWHZLMJPBEWSU-URVUXULASA-N 1 1 496.722 2.938 20 0 JFADMO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329180 1062805336 /nfs/dbraw/zinc/80/53/36/1062805336.db2.gz RTRJEACWAUDNSP-RPBOFIJWSA-N 1 1 498.720 2.548 20 0 JFADMO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001295021288 1062822665 /nfs/dbraw/zinc/82/26/65/1062822665.db2.gz HYCDGJIVXPEHNU-GOSISDBHSA-N 1 1 477.679 2.624 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001287350731 1062822777 /nfs/dbraw/zinc/82/27/77/1062822777.db2.gz WTVBKIPILMGSEE-PMACEKPBSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001287350731 1062822800 /nfs/dbraw/zinc/82/28/00/1062822800.db2.gz WTVBKIPILMGSEE-PMACEKPBSA-N 1 1 477.675 2.615 20 0 JFADMO CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287363997 1062829541 /nfs/dbraw/zinc/82/95/41/1062829541.db2.gz PJDAWVDZDQTGJW-NRFANRHFSA-N 1 1 484.645 2.827 20 0 JFADMO CC(C)Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287385391 1062836524 /nfs/dbraw/zinc/83/65/24/1062836524.db2.gz PVEHSOLRRKLGQV-FHWLQOOXSA-N 1 1 458.573 2.518 20 0 JFADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001295041386 1062838855 /nfs/dbraw/zinc/83/88/55/1062838855.db2.gz JIYUNCHTRIDGJV-IBGZPJMESA-N 1 1 451.633 2.968 20 0 JFADMO CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001295058337 1062866868 /nfs/dbraw/zinc/86/68/68/1062866868.db2.gz IIVPRGSNNGUTKH-UHFFFAOYSA-N 1 1 492.466 2.979 20 0 JFADMO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001287442103 1062874782 /nfs/dbraw/zinc/87/47/82/1062874782.db2.gz CMWIBHMOEQGEPQ-RTWAWAEBSA-N 1 1 468.712 2.705 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999738 1062894536 /nfs/dbraw/zinc/89/45/36/1062894536.db2.gz TTXJMFKHKAKOHK-MHTWAQMVSA-N 1 1 476.666 2.616 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291000255 1062895281 /nfs/dbraw/zinc/89/52/81/1062895281.db2.gz VCRCLODOULEJQW-SZPZYZBQSA-N 1 1 469.678 2.789 20 0 JFADMO CCN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001295074228 1062900242 /nfs/dbraw/zinc/90/02/42/1062900242.db2.gz SRWVTVNIVLRDMY-UHFFFAOYSA-N 1 1 456.635 2.984 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001287462576 1062903330 /nfs/dbraw/zinc/90/33/30/1062903330.db2.gz PEWICQHBTMQIHX-UHFFFAOYSA-N 1 1 458.557 2.979 20 0 JFADMO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001295076828 1062904331 /nfs/dbraw/zinc/90/43/31/1062904331.db2.gz YZSPSXDEASMRHD-QFIPXVFZSA-N 1 1 461.614 2.701 20 0 JFADMO CCN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001295078682 1062907359 /nfs/dbraw/zinc/90/73/59/1062907359.db2.gz PINQTPKHGZWMKY-UHFFFAOYSA-N 1 1 454.619 2.820 20 0 JFADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001295078927 1062908278 /nfs/dbraw/zinc/90/82/78/1062908278.db2.gz STWCEDLBIQKHOW-RBUKOAKNSA-N 1 1 457.596 2.679 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011013 1062910273 /nfs/dbraw/zinc/91/02/73/1062910273.db2.gz DPYQTAKIIHEGRT-APAFKAMOSA-N 1 1 472.725 2.587 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291011320 1062912333 /nfs/dbraw/zinc/91/23/33/1062912333.db2.gz IUYRRBSLSOXAPY-XQBPLPMBSA-N 1 1 481.645 2.723 20 0 JFADMO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)C1 ZINC001306054469 1062917379 /nfs/dbraw/zinc/91/73/79/1062917379.db2.gz BXVHKSXKWSGEJJ-YTZAWJCFSA-N 1 1 451.567 2.827 20 0 JFADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291013141 1062919345 /nfs/dbraw/zinc/91/93/45/1062919345.db2.gz JPASYQQZQVQULV-LRSLUSHPSA-N 1 1 481.707 2.944 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013613 1062921053 /nfs/dbraw/zinc/92/10/53/1062921053.db2.gz PJWDCULWRZTYTO-YRPNKDGESA-N 1 1 455.669 2.757 20 0 JFADMO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094940 1062927862 /nfs/dbraw/zinc/92/78/62/1062927862.db2.gz PRRMTXBJZUHOOC-OXJNMPFZSA-N 1 1 453.486 2.720 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476331 1062928723 /nfs/dbraw/zinc/92/87/23/1062928723.db2.gz ISRJRTDDAPPIHU-TZIWHRDSSA-N 1 1 486.636 2.649 20 0 JFADMO C[C@@H]1C[C@@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291018008 1062931566 /nfs/dbraw/zinc/93/15/66/1062931566.db2.gz ZSWGGKDBKSUNTI-CGXNFDGLSA-N 1 1 485.633 2.676 20 0 JFADMO C[C@@H]1C[C@@H](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001291018008 1062931598 /nfs/dbraw/zinc/93/15/98/1062931598.db2.gz ZSWGGKDBKSUNTI-CGXNFDGLSA-N 1 1 485.633 2.676 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCCCCC1=O ZINC001287476767 1062932142 /nfs/dbraw/zinc/93/21/42/1062932142.db2.gz PGIIQLFHOLYQIE-NRFANRHFSA-N 1 1 460.667 2.959 20 0 JFADMO CC(C)Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001287477040 1062932752 /nfs/dbraw/zinc/93/27/52/1062932752.db2.gz SVKWZJGRSKEYBD-OAQYLSRUSA-N 1 1 498.672 2.681 20 0 JFADMO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@H+]1CCCO ZINC001295111056 1062934836 /nfs/dbraw/zinc/93/48/36/1062934836.db2.gz QMWVPVHFGXSZON-GOSISDBHSA-N 1 1 453.591 2.539 20 0 JFADMO C[C@@H]1C[C@@H](CCn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC001291020831 1062937793 /nfs/dbraw/zinc/93/77/93/1062937793.db2.gz KWHLQOQNALAYIP-CEMLEFRQSA-N 1 1 475.659 2.911 20 0 JFADMO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001287482432 1062938692 /nfs/dbraw/zinc/93/86/92/1062938692.db2.gz UAORVMJMNPWADL-QFIPXVFZSA-N 1 1 462.683 2.525 20 0 JFADMO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001287486013 1062941623 /nfs/dbraw/zinc/94/16/23/1062941623.db2.gz BFOLYYQKKSDLBS-INIZCTEOSA-N 1 1 455.529 2.559 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001295126650 1062943029 /nfs/dbraw/zinc/94/30/29/1062943029.db2.gz HLXGLHLBCIQFHB-UHFFFAOYSA-N 1 1 456.616 2.787 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001295127370 1062945557 /nfs/dbraw/zinc/94/55/57/1062945557.db2.gz OXILIRKVUDREQF-UHFFFAOYSA-N 1 1 476.691 2.885 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)c1 ZINC001295127497 1062946486 /nfs/dbraw/zinc/94/64/86/1062946486.db2.gz QTCLNJCTYVKDAP-SFHVURJKSA-N 1 1 460.648 2.769 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)c1 ZINC001295127771 1062947265 /nfs/dbraw/zinc/94/72/65/1062947265.db2.gz UGWRQAUBPURJIC-UHFFFAOYSA-N 1 1 469.678 2.577 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC001295127957 1062947729 /nfs/dbraw/zinc/94/77/29/1062947729.db2.gz XOYIKWKREIOGDJ-FQEVSTJZSA-N 1 1 467.662 2.691 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(C)noc2C)c1 ZINC001295128037 1062947991 /nfs/dbraw/zinc/94/79/91/1062947991.db2.gz ZQTRNQPSQVLNML-OAQYLSRUSA-N 1 1 451.575 2.970 20 0 JFADMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(=O)OC)C2)c1 ZINC001295128275 1062948646 /nfs/dbraw/zinc/94/86/46/1062948646.db2.gz ZIOSIGZBTJVYPO-HXUWFJFHSA-N 1 1 496.637 2.769 20 0 JFADMO CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295132031 1062949311 /nfs/dbraw/zinc/94/93/11/1062949311.db2.gz KXYQOCFNBLGLJT-LEWJYISDSA-N 1 1 461.632 2.643 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@H](c3nccs3)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001287495691 1062950121 /nfs/dbraw/zinc/95/01/21/1062950121.db2.gz SFMRJLDHVLEAEO-FQEVSTJZSA-N 1 1 461.680 2.785 20 0 JFADMO C[C@@H]1C[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC001291026349 1062950695 /nfs/dbraw/zinc/95/06/95/1062950695.db2.gz IJESDAPBOPGPOJ-AABGKKOBSA-N 1 1 467.680 2.554 20 0 JFADMO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287497220 1062950808 /nfs/dbraw/zinc/95/08/08/1062950808.db2.gz MYINVQANDMXEGT-NHCUHLMSSA-N 1 1 494.681 2.707 20 0 JFADMO CCN(c1nnc(C(C)C)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295140644 1062958820 /nfs/dbraw/zinc/95/88/20/1062958820.db2.gz CSBQDOCJQZXAJS-VXKWHMMOSA-N 1 1 459.660 2.980 20 0 JFADMO CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287525696 1062962757 /nfs/dbraw/zinc/96/27/57/1062962757.db2.gz KLLODQLXTVGPCD-LVXARBLLSA-N 1 1 499.660 2.661 20 0 JFADMO C[C@H]1C[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291032386 1062963076 /nfs/dbraw/zinc/96/30/76/1062963076.db2.gz OKJNDEWOXMYJDA-REWPJTCUSA-N 1 1 482.654 2.798 20 0 JFADMO C[C@H]1C[C@@H](N(C)c2nnc(Cc3ccccn3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001291032386 1062963100 /nfs/dbraw/zinc/96/31/00/1062963100.db2.gz OKJNDEWOXMYJDA-REWPJTCUSA-N 1 1 482.654 2.798 20 0 JFADMO C[C@@H]1C[C@@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001291032494 1062963214 /nfs/dbraw/zinc/96/32/14/1062963214.db2.gz PJXRQABKMRRCIB-KNQAVFIVSA-N 1 1 474.675 2.611 20 0 JFADMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1csc(I)c1 ZINC001295145926 1062966634 /nfs/dbraw/zinc/96/66/34/1062966634.db2.gz HRJSYPGARFRYCW-HZPDHXFCSA-N 1 1 456.349 2.966 20 0 JFADMO C[C@@H]1C[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001291036180 1062967763 /nfs/dbraw/zinc/96/77/63/1062967763.db2.gz LTVRCLLAAJWOFQ-MSOLQXFVSA-N 1 1 460.648 2.720 20 0 JFADMO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295152829 1062973432 /nfs/dbraw/zinc/97/34/32/1062973432.db2.gz SPFBHDASSZMGBN-DPLHUUCSSA-N 1 1 497.706 2.597 20 0 JFADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)N(C)C)CC1 ZINC001291052330 1062983885 /nfs/dbraw/zinc/98/38/85/1062983885.db2.gz RRQRZYSBVLJLKL-OYRHEFFESA-N 1 1 461.699 2.730 20 0 JFADMO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC001295161902 1062985525 /nfs/dbraw/zinc/98/55/25/1062985525.db2.gz SBAALNURLRSQGB-GOSISDBHSA-N 1 1 460.648 2.916 20 0 JFADMO CC(C)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001287583449 1062994759 /nfs/dbraw/zinc/99/47/59/1062994759.db2.gz RYNVTVDBUWMCOM-FGZHOGPDSA-N 1 1 454.619 2.717 20 0 JFADMO CCN(c1nnc(-c2ccccn2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295180343 1063002369 /nfs/dbraw/zinc/00/23/69/1063002369.db2.gz JAVOETDHAQEMRN-IRLDBZIGSA-N 1 1 468.627 2.965 20 0 JFADMO CCN(c1nnc(-c2ccc[nH]2)n1CC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295188781 1063011798 /nfs/dbraw/zinc/01/17/98/1063011798.db2.gz RXPZJQHEZDGNAT-LJQANCHMSA-N 1 1 460.579 2.558 20 0 JFADMO CCN(c1nnc(-c2ccc[nH]2)n1CC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001295188781 1063011819 /nfs/dbraw/zinc/01/18/19/1063011819.db2.gz RXPZJQHEZDGNAT-LJQANCHMSA-N 1 1 460.579 2.558 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001287635361 1063013145 /nfs/dbraw/zinc/01/31/45/1063013145.db2.gz AEULJOTYCHYYRB-UHFFFAOYSA-N 1 1 497.688 2.722 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001287635361 1063013167 /nfs/dbraw/zinc/01/31/67/1063013167.db2.gz AEULJOTYCHYYRB-UHFFFAOYSA-N 1 1 497.688 2.722 20 0 JFADMO CC(C)CCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001287635361 1063013192 /nfs/dbraw/zinc/01/31/92/1063013192.db2.gz AEULJOTYCHYYRB-UHFFFAOYSA-N 1 1 497.688 2.722 20 0 JFADMO CC(C)CCOC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)CC1 ZINC001287643577 1063020728 /nfs/dbraw/zinc/02/07/28/1063020728.db2.gz MCGYTFUXAFKQMC-HXUWFJFHSA-N 1 1 467.680 2.698 20 0 JFADMO CC(C)CCOCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001287646971 1063021931 /nfs/dbraw/zinc/02/19/31/1063021931.db2.gz JNTAPXMZCIULJJ-QFIPXVFZSA-N 1 1 469.634 2.536 20 0 JFADMO CC(C)CCOCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001287646970 1063022060 /nfs/dbraw/zinc/02/20/60/1063022060.db2.gz JNTAPXMZCIULJJ-JOCHJYFZSA-N 1 1 469.634 2.536 20 0 JFADMO CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295216154 1063029884 /nfs/dbraw/zinc/02/98/84/1063029884.db2.gz HCQAKIZUEJSADT-NQIIRXRSSA-N 1 1 477.631 2.534 20 0 JFADMO CC(C)CN(c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC001287692153 1063039411 /nfs/dbraw/zinc/03/94/11/1063039411.db2.gz PEBANTSWRDKOSI-QFIPXVFZSA-N 1 1 487.693 2.862 20 0 JFADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC001287693012 1063040278 /nfs/dbraw/zinc/04/02/78/1063040278.db2.gz JEYNTPKQUZGPQL-MJGOQNOKSA-N 1 1 450.004 2.845 20 0 JFADMO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220608 1063040296 /nfs/dbraw/zinc/04/02/96/1063040296.db2.gz PUIJLMPGVKAYQD-FCHUYYIVSA-N 1 1 475.659 2.706 20 0 JFADMO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC001295220608 1063040315 /nfs/dbraw/zinc/04/03/15/1063040315.db2.gz PUIJLMPGVKAYQD-FCHUYYIVSA-N 1 1 475.659 2.706 20 0 JFADMO C[C@@H]1CCCC[C@@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291085338 1063040745 /nfs/dbraw/zinc/04/07/45/1063040745.db2.gz AKPBVAQISYLFSL-RTWAWAEBSA-N 1 1 476.666 2.656 20 0 JFADMO C[C@@H]1CCCC[C@@H]1OCCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291085338 1063040769 /nfs/dbraw/zinc/04/07/69/1063040769.db2.gz AKPBVAQISYLFSL-RTWAWAEBSA-N 1 1 476.666 2.656 20 0 JFADMO CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001287713968 1063047446 /nfs/dbraw/zinc/04/74/46/1063047446.db2.gz ZWSHDMDUNWGHOZ-IBGZPJMESA-N 1 1 462.664 2.893 20 0 JFADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)C1 ZINC001291095896 1063056455 /nfs/dbraw/zinc/05/64/55/1063056455.db2.gz UXAXSAXLDDXHAS-VQTJNVASSA-N 1 1 462.664 2.809 20 0 JFADMO CC(C)CN1C[C@H]2CN(c3nnc([C@H]4CCCCO4)n3CCC[N@@H+](C)C(C)C)CCN2C1=O ZINC001287733768 1063057095 /nfs/dbraw/zinc/05/70/95/1063057095.db2.gz QJGAXTMPLLQJEK-NHCUHLMSSA-N 1 1 461.655 2.832 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(O)cc3)CC2)C1 ZINC001287734193 1063059169 /nfs/dbraw/zinc/05/91/69/1063059169.db2.gz ZVYVXFVWPQTJKJ-NRFANRHFSA-N 1 1 483.661 2.817 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)C1 ZINC001287737164 1063060263 /nfs/dbraw/zinc/06/02/63/1063060263.db2.gz FSGUEMJZRZDZHG-INIZCTEOSA-N 1 1 478.439 2.730 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001291098896 1063063747 /nfs/dbraw/zinc/06/37/47/1063063747.db2.gz XPNWTZVUQRUKEO-AABGKKOBSA-N 1 1 467.680 2.839 20 0 JFADMO C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291098898 1063063830 /nfs/dbraw/zinc/06/38/30/1063063830.db2.gz XPNWTZVUQRUKEO-SLFFLAALSA-N 1 1 467.680 2.839 20 0 JFADMO C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001291098899 1063063922 /nfs/dbraw/zinc/06/39/22/1063063922.db2.gz XPNWTZVUQRUKEO-UFYCRDLUSA-N 1 1 467.680 2.839 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001287739965 1063064121 /nfs/dbraw/zinc/06/41/21/1063064121.db2.gz BYQWMMOACFNWCA-DENIHFKCSA-N 1 1 493.649 2.988 20 0 JFADMO CC(C)C[N@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001287739915 1063064417 /nfs/dbraw/zinc/06/44/17/1063064417.db2.gz SZUFHTVTNYNDIF-PVQFMVPOSA-N 1 1 486.686 2.971 20 0 JFADMO CC(C)C[N@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740486 1063065594 /nfs/dbraw/zinc/06/55/94/1063065594.db2.gz WBIXTIWHATVDPZ-RBUKOAKNSA-N 1 1 492.665 2.958 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291099596 1063066228 /nfs/dbraw/zinc/06/62/28/1063066228.db2.gz KEPUWQUQEOHVNY-MOPGFXCFSA-N 1 1 458.582 2.962 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001291100217 1063067357 /nfs/dbraw/zinc/06/73/57/1063067357.db2.gz VTHJJGLRRQKMMQ-UYAOXDASSA-N 1 1 496.703 2.573 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001291100757 1063069193 /nfs/dbraw/zinc/06/91/93/1063069193.db2.gz HJAHELPACPHHRW-RTBURBONSA-N 1 1 454.685 2.606 20 0 JFADMO C[C@H]1CCCC[N@H+]1CCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001291100755 1063069381 /nfs/dbraw/zinc/06/93/81/1063069381.db2.gz HJAHELPACPHHRW-OALUTQOASA-N 1 1 454.685 2.606 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291101168 1063071105 /nfs/dbraw/zinc/07/11/05/1063071105.db2.gz OFDOWSODZYNOGO-IBGZPJMESA-N 1 1 475.682 2.622 20 0 JFADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291101355 1063072102 /nfs/dbraw/zinc/07/21/02/1063072102.db2.gz RONCQIOUCNYPCM-SFHVURJKSA-N 1 1 490.603 2.823 20 0 JFADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291101860 1063074607 /nfs/dbraw/zinc/07/46/07/1063074607.db2.gz CSIDZXWIJXZFJZ-VXKWHMMOSA-N 1 1 489.709 2.677 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102100 1063074654 /nfs/dbraw/zinc/07/46/54/1063074654.db2.gz HOSIDMITZOUPPT-DYXWJJEUSA-N 1 1 496.722 2.652 20 0 JFADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001291102527 1063078208 /nfs/dbraw/zinc/07/82/08/1063078208.db2.gz OQPQDLIMSCKOPH-SQNIBIBYSA-N 1 1 485.599 2.813 20 0 JFADMO CC(C)OC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001291103823 1063081660 /nfs/dbraw/zinc/08/16/60/1063081660.db2.gz LDKUSJUPMULLBO-NHCUHLMSSA-N 1 1 476.666 2.541 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104181 1063082940 /nfs/dbraw/zinc/08/29/40/1063082940.db2.gz QKDRYKXYXHMALZ-SQNIBIBYSA-N 1 1 461.636 2.571 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291104283 1063083412 /nfs/dbraw/zinc/08/34/12/1063083412.db2.gz RUQJUCWYJJUMJL-WOJBJXKFSA-N 1 1 469.634 2.569 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+](C)C(C)C)CC1)S(C)(=O)=O ZINC001295266434 1063083595 /nfs/dbraw/zinc/08/35/95/1063083595.db2.gz IDDROWFPCBOGLF-UHFFFAOYSA-N 1 1 478.663 2.544 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291104385 1063084167 /nfs/dbraw/zinc/08/41/67/1063084167.db2.gz TVUKLUUVCIWDQB-OTWHNJEPSA-N 1 1 477.654 2.640 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291104384 1063084398 /nfs/dbraw/zinc/08/43/98/1063084398.db2.gz TVUKLUUVCIWDQB-FHWLQOOXSA-N 1 1 477.654 2.640 20 0 JFADMO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105065 1063085790 /nfs/dbraw/zinc/08/57/90/1063085790.db2.gz DKTAURSSVGMPTQ-IKGGRYGDSA-N 1 1 492.466 2.868 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001287761459 1063087403 /nfs/dbraw/zinc/08/74/03/1063087403.db2.gz KZIJTRJCRQBFQD-HXUWFJFHSA-N 1 1 462.602 2.560 20 0 JFADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]2CCC[C@H]21)[N@H+]1CCC[C@@H](C)C1 ZINC001291105413 1063087420 /nfs/dbraw/zinc/08/74/20/1063087420.db2.gz JBSJIXBMYOKHBZ-OUUBHVDSSA-N 1 1 452.669 2.778 20 0 JFADMO CCN(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1)S(C)(=O)=O ZINC001295267544 1063087939 /nfs/dbraw/zinc/08/79/39/1063087939.db2.gz WVBBVDSVYJCQSA-MRXNPFEDSA-N 1 1 496.081 2.727 20 0 JFADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105620 1063088246 /nfs/dbraw/zinc/08/82/46/1063088246.db2.gz LJASHYAFHAQZJI-UAFMIMERSA-N 1 1 489.665 2.795 20 0 JFADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105505 1063088284 /nfs/dbraw/zinc/08/82/84/1063088284.db2.gz JYJHFOMVXHXERG-GUDVDZBRSA-N 1 1 460.648 2.571 20 0 JFADMO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1=O ZINC001287763056 1063089374 /nfs/dbraw/zinc/08/93/74/1063089374.db2.gz XZXJGCONKBHVGR-HXUWFJFHSA-N 1 1 462.602 2.560 20 0 JFADMO C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105984 1063090322 /nfs/dbraw/zinc/09/03/22/1063090322.db2.gz QHWJPNAIHFTEKZ-VQTJNVASSA-N 1 1 474.675 2.831 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107547 1063096710 /nfs/dbraw/zinc/09/67/10/1063096710.db2.gz KELRCQSLSTXHBV-NXMSCROESA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107882 1063098211 /nfs/dbraw/zinc/09/82/11/1063098211.db2.gz NRHXHWVIKRRMEI-CEXWTWQISA-N 1 1 458.582 2.818 20 0 JFADMO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108414 1063099739 /nfs/dbraw/zinc/09/97/39/1063099739.db2.gz VXRQWQGUPKZCIZ-AABGKKOBSA-N 1 1 468.712 2.753 20 0 JFADMO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1=O ZINC001287778239 1063100815 /nfs/dbraw/zinc/10/08/15/1063100815.db2.gz OIRRFYSDIOKMTI-SFTDATJTSA-N 1 1 487.693 2.604 20 0 JFADMO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291108549 1063101311 /nfs/dbraw/zinc/10/13/11/1063101311.db2.gz XFLHNIRAVGEQCQ-MTXNFPGFSA-N 1 1 481.707 2.942 20 0 JFADMO CC(C)O[C@]1(c2nnc(N(C)CCn3cccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001291108916 1063103371 /nfs/dbraw/zinc/10/33/71/1063103371.db2.gz CMOZMGNQMUJELL-PQNGQFLHSA-N 1 1 459.639 2.772 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@H](C)C1 ZINC001291109433 1063104133 /nfs/dbraw/zinc/10/41/33/1063104133.db2.gz MAOOIVHYOXONIE-VNTMZGSJSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109430 1063104160 /nfs/dbraw/zinc/10/41/60/1063104160.db2.gz MAOOIVHYOXONIE-IYWMVGAKSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H](Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001291109960 1063106297 /nfs/dbraw/zinc/10/62/97/1063106297.db2.gz UXRZIRYDLHSQPH-AABGKKOBSA-N 1 1 468.712 2.804 20 0 JFADMO C[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001291109810 1063106471 /nfs/dbraw/zinc/10/64/71/1063106471.db2.gz RRDZOSNSHRLVEF-AIANPOQGSA-N 1 1 486.593 2.529 20 0 JFADMO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295291390 1063135755 /nfs/dbraw/zinc/13/57/55/1063135755.db2.gz CAODSWVFFVBTPG-ZEQRLZLVSA-N 1 1 498.672 2.739 20 0 JFADMO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295291721 1063135869 /nfs/dbraw/zinc/13/58/69/1063135869.db2.gz FWFQIQKSABIGFL-NFBKMPQASA-N 1 1 450.587 2.929 20 0 JFADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123019 1063136237 /nfs/dbraw/zinc/13/62/37/1063136237.db2.gz CLYHVOYJPJTCMD-IVAOSVALSA-N 1 1 482.695 2.548 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291123565 1063138478 /nfs/dbraw/zinc/13/84/78/1063138478.db2.gz MVOXZKNAUWTQFI-HXUWFJFHSA-N 1 1 481.645 2.762 20 0 JFADMO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123539 1063138543 /nfs/dbraw/zinc/13/85/43/1063138543.db2.gz MJLPPTIRNWXFEV-FGZHOGPDSA-N 1 1 497.692 2.824 20 0 JFADMO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123676 1063139344 /nfs/dbraw/zinc/13/93/44/1063139344.db2.gz OUQHWJGWBKMKGD-RTWAWAEBSA-N 1 1 459.683 2.703 20 0 JFADMO CC(C)C(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291123766 1063140391 /nfs/dbraw/zinc/14/03/91/1063140391.db2.gz QFJKWUNULUPLTE-NRFANRHFSA-N 1 1 487.693 2.767 20 0 JFADMO C[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001291124210 1063141272 /nfs/dbraw/zinc/14/12/72/1063141272.db2.gz ZLPZNMSQVBIALJ-RGKFVRLKSA-N 1 1 462.639 2.742 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(C3CCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001291124399 1063142685 /nfs/dbraw/zinc/14/26/85/1063142685.db2.gz CPEMONWXQSYXPK-SFHVURJKSA-N 1 1 452.669 2.576 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001291124657 1063143806 /nfs/dbraw/zinc/14/38/06/1063143806.db2.gz HVLRPEHMANGVOI-OAQYLSRUSA-N 1 1 473.710 2.779 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291124557 1063143905 /nfs/dbraw/zinc/14/39/05/1063143905.db2.gz GNOVOIFLWLARHJ-UNMCSNQZSA-N 1 1 496.722 2.892 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001291124881 1063145793 /nfs/dbraw/zinc/14/57/93/1063145793.db2.gz LHPRSCVZMGONTA-UNMCSNQZSA-N 1 1 460.667 2.989 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125896 1063151138 /nfs/dbraw/zinc/15/11/38/1063151138.db2.gz CUHFXNOOELVJBN-KZNAEPCWSA-N 1 1 466.627 2.957 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126420 1063154674 /nfs/dbraw/zinc/15/46/74/1063154674.db2.gz MEBVPPOJVXTSKF-FYYLOGMGSA-N 1 1 468.646 2.986 20 0 JFADMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291127088 1063158959 /nfs/dbraw/zinc/15/89/59/1063158959.db2.gz YLZYCLVMUPIWQG-RBUKOAKNSA-N 1 1 458.582 2.820 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291127086 1063159073 /nfs/dbraw/zinc/15/90/73/1063159073.db2.gz YLZYCLVMUPIWQG-MOPGFXCFSA-N 1 1 458.582 2.820 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291127227 1063161304 /nfs/dbraw/zinc/16/13/04/1063161304.db2.gz AMSOTPBWCRZHDD-OALUTQOASA-N 1 1 470.622 2.961 20 0 JFADMO CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC001295303094 1063163028 /nfs/dbraw/zinc/16/30/28/1063163028.db2.gz QNXZEDIYVJWZBH-RTWAWAEBSA-N 1 1 495.672 2.963 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291128136 1063163119 /nfs/dbraw/zinc/16/31/19/1063163119.db2.gz RRUOQFYZFLQCKB-RBUKOAKNSA-N 1 1 473.622 2.735 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291128137 1063163173 /nfs/dbraw/zinc/16/31/73/1063163173.db2.gz RRUOQFYZFLQCKB-RTBURBONSA-N 1 1 473.622 2.735 20 0 JFADMO CC(C)C(=O)NCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291128581 1063164322 /nfs/dbraw/zinc/16/43/22/1063164322.db2.gz ZGHWDOHRUKSNQY-SFHVURJKSA-N 1 1 480.617 2.534 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001291128677 1063165406 /nfs/dbraw/zinc/16/54/06/1063165406.db2.gz AQSKQNKHWDWGMS-VAMGGRTRSA-N 1 1 462.639 2.960 20 0 JFADMO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC001291128876 1063166301 /nfs/dbraw/zinc/16/63/01/1063166301.db2.gz FGEUGLZWRCKWRF-FGTMMUONSA-N 1 1 453.678 2.920 20 0 JFADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291128878 1063167647 /nfs/dbraw/zinc/16/76/47/1063167647.db2.gz FGEUGLZWRCKWRF-KZNAEPCWSA-N 1 1 453.678 2.920 20 0 JFADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291129350 1063170905 /nfs/dbraw/zinc/17/09/05/1063170905.db2.gz MRPVDLLXRKCNGK-FYYLOGMGSA-N 1 1 467.662 2.984 20 0 JFADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001291129934 1063174753 /nfs/dbraw/zinc/17/47/53/1063174753.db2.gz XJVXEYWYXZLMCI-PMACEKPBSA-N 1 1 462.639 2.961 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291129947 1063175282 /nfs/dbraw/zinc/17/52/82/1063175282.db2.gz XNURJKDXWMCSOB-RTBURBONSA-N 1 1 491.681 2.825 20 0 JFADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001291130021 1063175624 /nfs/dbraw/zinc/17/56/24/1063175624.db2.gz YSOCZRLCTXSFPP-HXUWFJFHSA-N 1 1 453.635 2.691 20 0 JFADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291131170 1063178925 /nfs/dbraw/zinc/17/89/25/1063178925.db2.gz WPZIWLPWBQSYTO-IYWMVGAKSA-N 1 1 469.696 2.798 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291138630 1063200681 /nfs/dbraw/zinc/20/06/81/1063200681.db2.gz NKPDXFXRAGBYFW-HKBOAZHASA-N 1 1 492.665 2.934 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291138906 1063200945 /nfs/dbraw/zinc/20/09/45/1063200945.db2.gz SIRSCCNXYKJUDJ-GOSISDBHSA-N 1 1 495.093 2.867 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001291139061 1063201569 /nfs/dbraw/zinc/20/15/69/1063201569.db2.gz VESYOHDUEZGRLS-LJQANCHMSA-N 1 1 489.665 2.721 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001291139100 1063202278 /nfs/dbraw/zinc/20/22/78/1063202278.db2.gz VWLQDJZKKWBYMR-MSOLQXFVSA-N 1 1 477.654 2.577 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291139449 1063203387 /nfs/dbraw/zinc/20/33/87/1063203387.db2.gz CGOWSMKZEYOSOZ-OAQYLSRUSA-N 1 1 499.660 2.787 20 0 JFADMO C[C@@H]1CCC[N@H+]1CCn1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291139434 1063203606 /nfs/dbraw/zinc/20/36/06/1063203606.db2.gz BWFFQGGFEWEECM-HXUWFJFHSA-N 1 1 474.675 2.961 20 0 JFADMO CCN(CC)C(=O)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295322682 1063205333 /nfs/dbraw/zinc/20/53/33/1063205333.db2.gz CVZGGQMLUUBVEK-UGKGYDQZSA-N 1 1 470.618 2.970 20 0 JFADMO CCN(CC)C(=O)CCCn1c(CC2CCCC2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001295322533 1063205528 /nfs/dbraw/zinc/20/55/28/1063205528.db2.gz GRALWXHWDIDMHU-VWLOTQADSA-N 1 1 460.667 2.960 20 0 JFADMO C[C@H]1CCC[N@H+]1CCn1c(N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140201 1063207101 /nfs/dbraw/zinc/20/71/01/1063207101.db2.gz SOTQXHPKYBBJEF-FCHUYYIVSA-N 1 1 470.662 2.622 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001295326776 1063216302 /nfs/dbraw/zinc/21/63/02/1063216302.db2.gz AIDYKXZIOFMACK-LJQANCHMSA-N 1 1 491.681 2.697 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001295326776 1063216318 /nfs/dbraw/zinc/21/63/18/1063216318.db2.gz AIDYKXZIOFMACK-LJQANCHMSA-N 1 1 491.681 2.697 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001295326788 1063216409 /nfs/dbraw/zinc/21/64/09/1063216409.db2.gz AWAUXTCMRVCSJT-IRLDBZIGSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2C)CC1 ZINC001295326788 1063216425 /nfs/dbraw/zinc/21/64/25/1063216425.db2.gz AWAUXTCMRVCSJT-IRLDBZIGSA-N 1 1 483.661 2.702 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)c(COC)c2)CC1 ZINC001295327423 1063222985 /nfs/dbraw/zinc/22/29/85/1063222985.db2.gz UHZCJSXXEAVJHL-UHFFFAOYSA-N 1 1 497.619 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)c(COC)c2)CC1 ZINC001295327423 1063223010 /nfs/dbraw/zinc/22/30/10/1063223010.db2.gz UHZCJSXXEAVJHL-UHFFFAOYSA-N 1 1 497.619 2.988 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001295327299 1063223047 /nfs/dbraw/zinc/22/30/47/1063223047.db2.gz QSLOEOQYRARAMK-UHFFFAOYSA-N 1 1 492.672 2.962 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001295327299 1063223071 /nfs/dbraw/zinc/22/30/71/1063223071.db2.gz QSLOEOQYRARAMK-UHFFFAOYSA-N 1 1 492.672 2.962 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(F)c2)CC1 ZINC001295327422 1063223302 /nfs/dbraw/zinc/22/33/02/1063223302.db2.gz UFQJLRCUMJFFHQ-UHFFFAOYSA-N 1 1 496.635 2.831 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(F)c2)CC1 ZINC001295327422 1063223316 /nfs/dbraw/zinc/22/33/16/1063223316.db2.gz UFQJLRCUMJFFHQ-UHFFFAOYSA-N 1 1 496.635 2.831 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)cc2C)CC1 ZINC001295327533 1063224509 /nfs/dbraw/zinc/22/45/09/1063224509.db2.gz WMGATXBDWUTCJR-UHFFFAOYSA-N 1 1 492.672 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)cc2C)CC1 ZINC001295327533 1063224528 /nfs/dbraw/zinc/22/45/28/1063224528.db2.gz WMGATXBDWUTCJR-UHFFFAOYSA-N 1 1 492.672 2.919 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295327640 1063225935 /nfs/dbraw/zinc/22/59/35/1063225935.db2.gz ZRSKQNBNTBCGFR-UHFFFAOYSA-N 1 1 483.020 2.817 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295327640 1063225952 /nfs/dbraw/zinc/22/59/52/1063225952.db2.gz ZRSKQNBNTBCGFR-UHFFFAOYSA-N 1 1 483.020 2.817 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCC2)CC1 ZINC001295330583 1063230988 /nfs/dbraw/zinc/23/09/88/1063230988.db2.gz ZPJRYTJZLSAGEN-UHFFFAOYSA-N 1 1 475.037 2.894 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCC2)CC1 ZINC001295330583 1063231004 /nfs/dbraw/zinc/23/10/04/1063231004.db2.gz ZPJRYTJZLSAGEN-UHFFFAOYSA-N 1 1 475.037 2.894 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2Cc2ccc(OC)c(O)c2)CC1 ZINC001295330565 1063231072 /nfs/dbraw/zinc/23/10/72/1063231072.db2.gz ZNTRJDKZBHGGCL-UHFFFAOYSA-N 1 1 458.607 2.545 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2Cc2ccc(OC)c(O)c2)CC1 ZINC001295330565 1063231094 /nfs/dbraw/zinc/23/10/94/1063231094.db2.gz ZNTRJDKZBHGGCL-UHFFFAOYSA-N 1 1 458.607 2.545 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001291147027 1063232065 /nfs/dbraw/zinc/23/20/65/1063232065.db2.gz PHGCFZJYOPXQQF-QFIPXVFZSA-N 1 1 454.619 2.658 20 0 JFADMO CC(C)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001291147026 1063232136 /nfs/dbraw/zinc/23/21/36/1063232136.db2.gz PHGCFZJYOPXQQF-JOCHJYFZSA-N 1 1 454.619 2.658 20 0 JFADMO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001291147045 1063232702 /nfs/dbraw/zinc/23/27/02/1063232702.db2.gz PRTQGNPXQZAVQO-WIYYLYMNSA-N 1 1 475.037 2.945 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 ZINC001295333813 1063232873 /nfs/dbraw/zinc/23/28/73/1063232873.db2.gz AXDYCJOCWKKKBE-QFIPXVFZSA-N 1 1 487.649 2.748 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCc2c(C)noc2C)CC1 ZINC001295333813 1063232892 /nfs/dbraw/zinc/23/28/92/1063232892.db2.gz AXDYCJOCWKKKBE-QFIPXVFZSA-N 1 1 487.649 2.748 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@H]2C[C@H]2C)CC1 ZINC001295333829 1063232995 /nfs/dbraw/zinc/23/29/95/1063232995.db2.gz BJOTXNVQYXSRNK-CTNGQTDRSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccccc3OC)n2[C@H]2C[C@H]2C)CC1 ZINC001295333829 1063233011 /nfs/dbraw/zinc/23/30/11/1063233011.db2.gz BJOTXNVQYXSRNK-CTNGQTDRSA-N 1 1 454.619 2.839 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295333823 1063233170 /nfs/dbraw/zinc/23/31/70/1063233170.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 1 1 461.699 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295334045 1063235298 /nfs/dbraw/zinc/23/52/98/1063235298.db2.gz GSPXIRGFCZMNFS-QPPBQGQZSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295334045 1063235317 /nfs/dbraw/zinc/23/53/17/1063235317.db2.gz GSPXIRGFCZMNFS-QPPBQGQZSA-N 1 1 462.683 2.918 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2ccncc2)CC1 ZINC001295334346 1063237308 /nfs/dbraw/zinc/23/73/08/1063237308.db2.gz LBCGJCJSNZMDLO-UHFFFAOYSA-N 1 1 453.635 2.954 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CCc2ccncc2)CC1 ZINC001295334346 1063237329 /nfs/dbraw/zinc/23/73/29/1063237329.db2.gz LBCGJCJSNZMDLO-UHFFFAOYSA-N 1 1 453.635 2.954 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@]2(C)CCCO2)CC1 ZINC001295334286 1063237490 /nfs/dbraw/zinc/23/74/90/1063237490.db2.gz JNKRUFUWNWLLRO-VWLOTQADSA-N 1 1 460.667 2.960 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2C[C@]2(C)CCCO2)CC1 ZINC001295334286 1063237509 /nfs/dbraw/zinc/23/75/09/1063237509.db2.gz JNKRUFUWNWLLRO-VWLOTQADSA-N 1 1 460.667 2.960 20 0 JFADMO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC001291150339 1063237546 /nfs/dbraw/zinc/23/75/46/1063237546.db2.gz ALTDDJDYSWCYNQ-MOPGFXCFSA-N 1 1 490.674 2.541 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001295334418 1063239112 /nfs/dbraw/zinc/23/91/12/1063239112.db2.gz NOQVBGMDFJKLNF-NRFANRHFSA-N 1 1 472.659 2.656 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001295334418 1063239135 /nfs/dbraw/zinc/23/91/35/1063239135.db2.gz NOQVBGMDFJKLNF-NRFANRHFSA-N 1 1 472.659 2.656 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001295334487 1063239833 /nfs/dbraw/zinc/23/98/33/1063239833.db2.gz PPEACNLLLFSKHW-NBGIEHNGSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001295334487 1063239851 /nfs/dbraw/zinc/23/98/51/1063239851.db2.gz PPEACNLLLFSKHW-NBGIEHNGSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001295334485 1063240002 /nfs/dbraw/zinc/24/00/02/1063240002.db2.gz PPEACNLLLFSKHW-CJFMBICVSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001295334485 1063240019 /nfs/dbraw/zinc/24/00/19/1063240019.db2.gz PPEACNLLLFSKHW-CJFMBICVSA-N 1 1 488.702 2.862 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 ZINC001295334501 1063240776 /nfs/dbraw/zinc/24/07/76/1063240776.db2.gz PZXGMNUSEZHBTC-NRFANRHFSA-N 1 1 472.609 2.544 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2)CC1 ZINC001295334501 1063240798 /nfs/dbraw/zinc/24/07/98/1063240798.db2.gz PZXGMNUSEZHBTC-NRFANRHFSA-N 1 1 472.609 2.544 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cccnc3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295334681 1063242598 /nfs/dbraw/zinc/24/25/98/1063242598.db2.gz SGFOCLGUPYESBS-UHFFFAOYSA-N 1 1 496.685 2.766 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2Cc2nc(C)c(C)s2)CC1 ZINC001295334681 1063242620 /nfs/dbraw/zinc/24/26/20/1063242620.db2.gz SGFOCLGUPYESBS-UHFFFAOYSA-N 1 1 496.685 2.766 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295334731 1063243187 /nfs/dbraw/zinc/24/31/87/1063243187.db2.gz FTAXYYWRGNJBOZ-ISKFKSNPSA-N 1 1 498.672 2.971 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295334731 1063243209 /nfs/dbraw/zinc/24/32/09/1063243209.db2.gz FTAXYYWRGNJBOZ-ISKFKSNPSA-N 1 1 498.672 2.971 20 0 JFADMO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247588 /nfs/dbraw/zinc/24/75/88/1063247588.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 1 1 473.710 2.732 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001295335074 1063248658 /nfs/dbraw/zinc/24/86/58/1063248658.db2.gz XZYURAJRDCOSKR-JOCHJYFZSA-N 1 1 484.645 2.528 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)c(OC)c2)CC1 ZINC001295335074 1063248680 /nfs/dbraw/zinc/24/86/80/1063248680.db2.gz XZYURAJRDCOSKR-JOCHJYFZSA-N 1 1 484.645 2.528 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCCCC2=O)CC1 ZINC001295335108 1063249546 /nfs/dbraw/zinc/24/95/46/1063249546.db2.gz ZCJJHPAXWJHBAN-UHFFFAOYSA-N 1 1 489.709 2.650 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCCCC2=O)CC1 ZINC001295335108 1063249561 /nfs/dbraw/zinc/24/95/61/1063249561.db2.gz ZCJJHPAXWJHBAN-UHFFFAOYSA-N 1 1 489.709 2.650 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295335191 1063250135 /nfs/dbraw/zinc/25/01/35/1063250135.db2.gz NWMRWJCPXXTIQF-RTBURBONSA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295335191 1063250155 /nfs/dbraw/zinc/25/01/55/1063250155.db2.gz NWMRWJCPXXTIQF-RTBURBONSA-N 1 1 468.593 2.946 20 0 JFADMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2)CC1 ZINC001295335238 1063250273 /nfs/dbraw/zinc/25/02/73/1063250273.db2.gz PQTOTDOZOIGADS-JOCHJYFZSA-N 1 1 454.619 2.867 20 0 JFADMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)cc2)CC1 ZINC001295335238 1063250295 /nfs/dbraw/zinc/25/02/95/1063250295.db2.gz PQTOTDOZOIGADS-JOCHJYFZSA-N 1 1 454.619 2.867 20 0 JFADMO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001295342637 1063270222 /nfs/dbraw/zinc/27/02/22/1063270222.db2.gz QESCPXZAACDSBS-MBSDFSHPSA-N 1 1 452.603 2.754 20 0 JFADMO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295345220 1063281994 /nfs/dbraw/zinc/28/19/94/1063281994.db2.gz XGNCCMKMTGXLML-DEOSSOPVSA-N 1 1 499.679 2.873 20 0 JFADMO CC1CC[NH+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001291184461 1063283041 /nfs/dbraw/zinc/28/30/41/1063283041.db2.gz AYHALLBXHDQHPW-GOSISDBHSA-N 1 1 467.586 2.827 20 0 JFADMO CC1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291186039 1063288181 /nfs/dbraw/zinc/28/81/81/1063288181.db2.gz XFRWZIOAEWHOKC-NJDAHSKKSA-N 1 1 481.707 2.942 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)C[C@H](C)O1 ZINC001291187262 1063294715 /nfs/dbraw/zinc/29/47/15/1063294715.db2.gz RJXASNRCLKMMMS-KSZLIROESA-N 1 1 458.582 2.639 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187703 1063297367 /nfs/dbraw/zinc/29/73/67/1063297367.db2.gz YFUFARHZYLGFGX-CEXWTWQISA-N 1 1 484.711 2.793 20 0 JFADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001291188103 1063300825 /nfs/dbraw/zinc/30/08/25/1063300825.db2.gz FNIJQIATYOFRKH-OYRHEFFESA-N 1 1 476.710 2.913 20 0 JFADMO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001291189198 1063307385 /nfs/dbraw/zinc/30/73/85/1063307385.db2.gz XBSHWVITXISKAT-ZCNNSNEGSA-N 1 1 478.707 2.866 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295354531 1063308036 /nfs/dbraw/zinc/30/80/36/1063308036.db2.gz PFUZTRQXQSELJH-QHCPKHFHSA-N 1 1 482.677 2.968 20 0 JFADMO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001291189573 1063311220 /nfs/dbraw/zinc/31/12/20/1063311220.db2.gz DLOVFYJEUTUHTD-HNNXBMFYSA-N 1 1 478.439 2.587 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295356265 1063312037 /nfs/dbraw/zinc/31/20/37/1063312037.db2.gz RVGGJUDAHOROPM-UHFFFAOYSA-N 1 1 487.599 2.993 20 0 JFADMO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001295356809 1063312642 /nfs/dbraw/zinc/31/26/42/1063312642.db2.gz YJJCNHKWITYJEF-UHFFFAOYSA-N 1 1 468.650 2.722 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001295364739 1063327087 /nfs/dbraw/zinc/32/70/87/1063327087.db2.gz HHLQMJIUZHSXLE-VQTJNVASSA-N 1 1 472.634 2.604 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291197240 1063341925 /nfs/dbraw/zinc/34/19/25/1063341925.db2.gz ADSDTOMCYYXBRU-RBUKOAKNSA-N 1 1 496.616 2.537 20 0 JFADMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC001291197788 1063344090 /nfs/dbraw/zinc/34/40/90/1063344090.db2.gz JYRWLKAEEAAMLY-MSOLQXFVSA-N 1 1 498.632 2.854 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291197708 1063344248 /nfs/dbraw/zinc/34/42/48/1063344248.db2.gz IZEZICKEMBADTH-RBUKOAKNSA-N 1 1 455.607 2.909 20 0 JFADMO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC001291197791 1063344779 /nfs/dbraw/zinc/34/47/79/1063344779.db2.gz JYRWLKAEEAAMLY-ZWKOTPCHSA-N 1 1 498.632 2.854 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001295376953 1063346393 /nfs/dbraw/zinc/34/63/93/1063346393.db2.gz QWMHLXPKLLURCK-ISKFKSNPSA-N 1 1 475.726 2.897 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001295376956 1063347155 /nfs/dbraw/zinc/34/71/55/1063347155.db2.gz QWMHLXPKLLURCK-VWNXMTODSA-N 1 1 475.726 2.897 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291198060 1063347158 /nfs/dbraw/zinc/34/71/58/1063347158.db2.gz OZTCCGVYZCAVMF-STQSFFJQSA-N 1 1 487.674 2.783 20 0 JFADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291198061 1063347216 /nfs/dbraw/zinc/34/72/16/1063347216.db2.gz OZTCCGVYZCAVMF-USXNREEHSA-N 1 1 487.674 2.783 20 0 JFADMO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)C[C@H](C)S1 ZINC001291198881 1063350362 /nfs/dbraw/zinc/35/03/62/1063350362.db2.gz DHMRUORBTPMXQY-ROUUACIJSA-N 1 1 493.077 2.914 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205150 1063362346 /nfs/dbraw/zinc/36/23/46/1063362346.db2.gz FLHIOZQXNDVAHH-LSDHHAIUSA-N 1 1 487.095 2.962 20 0 JFADMO CC[NH+](CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)c1ccco1 ZINC001295403689 1063388850 /nfs/dbraw/zinc/38/88/50/1063388850.db2.gz YMSGRQDISROROT-IEBWSBKVSA-N 1 1 460.604 2.963 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211728 1063397129 /nfs/dbraw/zinc/39/71/29/1063397129.db2.gz ZUZQNRCLBIEQMD-YJBOKZPZSA-N 1 1 492.466 2.833 20 0 JFADMO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@@H+](C)C1CC1 ZINC001291213342 1063404287 /nfs/dbraw/zinc/40/42/87/1063404287.db2.gz DEDLHYGPBZXJSP-ZWKOTPCHSA-N 1 1 490.674 2.682 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CC(F)(F)F ZINC001291219822 1063447520 /nfs/dbraw/zinc/44/75/20/1063447520.db2.gz RZEJTUMSIJMQES-MGPUTAFESA-N 1 1 472.943 2.738 20 0 JFADMO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001295461452 1063461626 /nfs/dbraw/zinc/46/16/26/1063461626.db2.gz YGKSOUVUQWECKO-KDURUIRLSA-N 1 1 463.671 2.921 20 0 JFADMO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001295461452 1063461638 /nfs/dbraw/zinc/46/16/38/1063461638.db2.gz YGKSOUVUQWECKO-KDURUIRLSA-N 1 1 463.671 2.921 20 0 JFADMO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001295461452 1063461655 /nfs/dbraw/zinc/46/16/55/1063461655.db2.gz YGKSOUVUQWECKO-KDURUIRLSA-N 1 1 463.671 2.921 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001291228076 1063477339 /nfs/dbraw/zinc/47/73/39/1063477339.db2.gz LJOHYDGZXBNUEG-QAPCUYQASA-N 1 1 457.472 2.963 20 0 JFADMO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291230111 1063483284 /nfs/dbraw/zinc/48/32/84/1063483284.db2.gz UYWOCJGKPYIFKS-RBUKOAKNSA-N 1 1 481.567 2.650 20 0 JFADMO C[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230729 1063484808 /nfs/dbraw/zinc/48/48/08/1063484808.db2.gz HXECBTYTYONQLA-VQTJNVASSA-N 1 1 487.649 2.576 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001291231321 1063485865 /nfs/dbraw/zinc/48/58/65/1063485865.db2.gz RQDRBBZZCWWTLV-NSHGMRRFSA-N 1 1 459.664 2.557 20 0 JFADMO CC(C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 ZINC001291238141 1063505854 /nfs/dbraw/zinc/50/58/54/1063505854.db2.gz KHVWJKKRYOQAKL-MRXNPFEDSA-N 1 1 451.666 2.520 20 0 JFADMO C[C@H]1CN(c2nnc(C3CC3)n2CC2CCN(CC[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001291239925 1063509338 /nfs/dbraw/zinc/50/93/38/1063509338.db2.gz RYEUPDRZXYSVTG-IBGZPJMESA-N 1 1 475.682 2.875 20 0 JFADMO C[C@@H]1CN(c2nnc(C3CCC3)n2CC2CCN(CC[NH+](C)C)CC2)CCN1CC(F)(F)F ZINC001291242371 1063516308 /nfs/dbraw/zinc/51/63/08/1063516308.db2.gz ALQLESXLSCZSHX-GOSISDBHSA-N 1 1 471.616 2.892 20 0 JFADMO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+](C2CCC2)C1 ZINC001291249359 1063525967 /nfs/dbraw/zinc/52/59/67/1063525967.db2.gz DIFYPJGFEWCVAJ-RBUKOAKNSA-N 1 1 467.680 2.696 20 0 JFADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251489 1063532321 /nfs/dbraw/zinc/53/23/21/1063532321.db2.gz IIDXSRQJOJDUJW-MOPGFXCFSA-N 1 1 482.695 2.960 20 0 JFADMO CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2C[NH+](CC)CC)C[C@H]1C ZINC001295502332 1063536499 /nfs/dbraw/zinc/53/64/99/1063536499.db2.gz CVPLHUYUJRRICF-OAQYLSRUSA-N 1 1 467.662 2.821 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256529 1063549130 /nfs/dbraw/zinc/54/91/30/1063549130.db2.gz WGUDHCRPBNNONR-UXHICEINSA-N 1 1 496.722 2.605 20 0 JFADMO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001295515692 1063549693 /nfs/dbraw/zinc/54/96/93/1063549693.db2.gz FCMHQUHZINFPAF-SXLOBPIMSA-N 1 1 459.664 2.762 20 0 JFADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cc(Br)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC001291259352 1063552263 /nfs/dbraw/zinc/55/22/63/1063552263.db2.gz QSQVEKQUMLUWIN-AEFFLSMTSA-N 1 1 480.455 2.683 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291262013 1063558276 /nfs/dbraw/zinc/55/82/76/1063558276.db2.gz LLXIEXHUVYGVLI-QFBILLFUSA-N 1 1 453.509 2.794 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291262944 1063560928 /nfs/dbraw/zinc/56/09/28/1063560928.db2.gz CCRYGNBOYKXEPO-FPOVZHCZSA-N 1 1 499.660 2.724 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291262946 1063560989 /nfs/dbraw/zinc/56/09/89/1063560989.db2.gz CCRYGNBOYKXEPO-TZIWHRDSSA-N 1 1 499.660 2.724 20 0 JFADMO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCS(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC001291265357 1063566184 /nfs/dbraw/zinc/56/61/84/1063566184.db2.gz SFYINNFEYIIZTG-HXUWFJFHSA-N 1 1 474.675 2.789 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267389 1063570443 /nfs/dbraw/zinc/57/04/43/1063570443.db2.gz DXVPVJHRHVOXKC-HXUWFJFHSA-N 1 1 499.660 2.820 20 0 JFADMO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291267389 1063570456 /nfs/dbraw/zinc/57/04/56/1063570456.db2.gz DXVPVJHRHVOXKC-HXUWFJFHSA-N 1 1 499.660 2.820 20 0 JFADMO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275766 1063584383 /nfs/dbraw/zinc/58/43/83/1063584383.db2.gz YVOGMUOZLLWWMZ-GMAHTHKFSA-N 1 1 468.646 2.621 20 0 JFADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+](C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276866 1063588193 /nfs/dbraw/zinc/58/81/93/1063588193.db2.gz TWQBXCMQHKOWDV-IEBWSBKVSA-N 1 1 480.535 2.689 20 0 JFADMO CC(C)[N@@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001291276922 1063588603 /nfs/dbraw/zinc/58/86/03/1063588603.db2.gz UWKNWQQTRLSXGK-PMACEKPBSA-N 1 1 454.619 2.903 20 0 JFADMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001295560298 1063593332 /nfs/dbraw/zinc/59/33/32/1063593332.db2.gz KGDNRDPEQADWEK-QPPBQGQZSA-N 1 1 463.630 2.926 20 0 JFADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCOCC2)CC(C)(C)C1 ZINC001291278514 1063596062 /nfs/dbraw/zinc/59/60/62/1063596062.db2.gz XIBBLVQWLDBVHK-GOSISDBHSA-N 1 1 460.648 2.864 20 0 JFADMO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N(C)C)CC[N@H+](C2CCC2)C1 ZINC001291281719 1063609582 /nfs/dbraw/zinc/60/95/82/1063609582.db2.gz CJIVJSMZOXFYIE-GOSISDBHSA-N 1 1 458.582 2.785 20 0 JFADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291285069 1063624439 /nfs/dbraw/zinc/62/44/39/1063624439.db2.gz KJPQYCFJMKUMER-DXBBTUNJSA-N 1 1 462.683 2.694 20 0 JFADMO C[C@H]1C[N@H+](Cc2cccc(Cn3c(C4CCC4)nnc3N(C)CCCS(C)(=O)=O)c2)CCO1 ZINC001291285956 1063628589 /nfs/dbraw/zinc/62/85/89/1063628589.db2.gz ABXHKLDYGRXPAQ-IBGZPJMESA-N 1 1 475.659 2.686 20 0 JFADMO C[C@H]1C[N@@H+](Cc2cccc(Cn3c(C4CCC4)nnc3N(C)CCCS(C)(=O)=O)c2)CCO1 ZINC001291285956 1063628598 /nfs/dbraw/zinc/62/85/98/1063628598.db2.gz ABXHKLDYGRXPAQ-IBGZPJMESA-N 1 1 475.659 2.686 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291285963 1063629335 /nfs/dbraw/zinc/62/93/35/1063629335.db2.gz ADQZNCYBKKEQHS-RTBURBONSA-N 1 1 490.674 2.536 20 0 JFADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC2(C)C)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291285963 1063629341 /nfs/dbraw/zinc/62/93/41/1063629341.db2.gz ADQZNCYBKKEQHS-RTBURBONSA-N 1 1 490.674 2.536 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286409 1063632266 /nfs/dbraw/zinc/63/22/66/1063632266.db2.gz IRTXDMFLVTXUED-RTBURBONSA-N 1 1 482.654 2.900 20 0 JFADMO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286409 1063632269 /nfs/dbraw/zinc/63/22/69/1063632269.db2.gz IRTXDMFLVTXUED-RTBURBONSA-N 1 1 482.654 2.900 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001291286408 1063632302 /nfs/dbraw/zinc/63/23/02/1063632302.db2.gz IRTXDMFLVTXUED-RBUKOAKNSA-N 1 1 482.654 2.900 20 0 JFADMO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001291286408 1063632311 /nfs/dbraw/zinc/63/23/11/1063632311.db2.gz IRTXDMFLVTXUED-RBUKOAKNSA-N 1 1 482.654 2.900 20 0 JFADMO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286680 1063633761 /nfs/dbraw/zinc/63/37/61/1063633761.db2.gz NILOQZWZOLUJNA-VQTJNVASSA-N 1 1 491.681 2.601 20 0 JFADMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291287459 1063639544 /nfs/dbraw/zinc/63/95/44/1063639544.db2.gz BVSUHHVXYKZYQR-UFYCRDLUSA-N 1 1 488.608 2.760 20 0 JFADMO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595932 1063640763 /nfs/dbraw/zinc/64/07/63/1063640763.db2.gz VZQWKQRONJCHQD-UNMCSNQZSA-N 1 1 472.609 2.890 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCO1 ZINC001291287712 1063642312 /nfs/dbraw/zinc/64/23/12/1063642312.db2.gz GOUIJUYPANJXHD-VQTJNVASSA-N 1 1 485.633 2.678 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001295598917 1063642999 /nfs/dbraw/zinc/64/29/99/1063642999.db2.gz FHHGRZXDHAGWAJ-DENIHFKCSA-N 1 1 470.618 2.765 20 0 JFADMO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001295598918 1063643108 /nfs/dbraw/zinc/64/31/08/1063643108.db2.gz FHHGRZXDHAGWAJ-KNQAVFIVSA-N 1 1 470.618 2.765 20 0 JFADMO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287869 1063644336 /nfs/dbraw/zinc/64/43/36/1063644336.db2.gz IUPACIGJPLPEOE-LJQANCHMSA-N 1 1 463.648 2.942 20 0 JFADMO CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001295599945 1063644949 /nfs/dbraw/zinc/64/49/49/1063644949.db2.gz CSIAGJAKFVNBQV-GOSISDBHSA-N 1 1 451.539 2.756 20 0 JFADMO CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC001295599945 1063644963 /nfs/dbraw/zinc/64/49/63/1063644963.db2.gz CSIAGJAKFVNBQV-GOSISDBHSA-N 1 1 451.539 2.756 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC001291288121 1063646536 /nfs/dbraw/zinc/64/65/36/1063646536.db2.gz NGMSYKCDYSTNFP-XDHUDOTRSA-N 1 1 492.571 2.749 20 0 JFADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288878 1063653239 /nfs/dbraw/zinc/65/32/39/1063653239.db2.gz ZSKZJNYNKZOERE-QZTJIDSGSA-N 1 1 461.010 2.766 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001291289531 1063656381 /nfs/dbraw/zinc/65/63/81/1063656381.db2.gz LWEPEPLMGZTULM-INIZCTEOSA-N 1 1 489.564 2.848 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC001291289403 1063656411 /nfs/dbraw/zinc/65/64/11/1063656411.db2.gz JAOJLLBKRFGLQF-ZWKOTPCHSA-N 1 1 476.025 2.586 20 0 JFADMO C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063663997 /nfs/dbraw/zinc/66/39/97/1063663997.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 1 1 470.662 2.990 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291290511 1063665090 /nfs/dbraw/zinc/66/50/90/1063665090.db2.gz ATFJDYCMYUWJGA-HYFFOGBASA-N 1 1 499.582 2.708 20 0 JFADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291260 1063667501 /nfs/dbraw/zinc/66/75/01/1063667501.db2.gz MHZGZFRMHXJYOX-GSPCLOLRSA-N 1 1 490.693 2.660 20 0 JFADMO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291291177 1063667557 /nfs/dbraw/zinc/66/75/57/1063667557.db2.gz LFUSKYUVAZTMNH-WRTQPQOASA-N 1 1 492.665 2.631 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(-c3cnccn3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001291291302 1063668385 /nfs/dbraw/zinc/66/83/85/1063668385.db2.gz MXIHISXVALFSRO-BGYRXZFFSA-N 1 1 451.575 2.750 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001291291307 1063669104 /nfs/dbraw/zinc/66/91/04/1063669104.db2.gz MYNOGDXEEIMSQQ-WCXIOVBPSA-N 1 1 453.513 2.869 20 0 JFADMO C[C@H]1C[N@@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291755 1063671014 /nfs/dbraw/zinc/67/10/14/1063671014.db2.gz UFRRBFIYCAFKNQ-PCCBWWKXSA-N 1 1 492.665 2.776 20 0 JFADMO CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295630951 1063676084 /nfs/dbraw/zinc/67/60/84/1063676084.db2.gz NWPJREHYHRAVNZ-QHCPKHFHSA-N 1 1 472.590 2.502 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001291292769 1063678354 /nfs/dbraw/zinc/67/83/54/1063678354.db2.gz JHPZSGIRLJOVJH-HDICACEKSA-N 1 1 476.025 2.585 20 0 JFADMO CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001295642763 1063685244 /nfs/dbraw/zinc/68/52/44/1063685244.db2.gz UPVXXUGALSJVGI-AZUAARDMSA-N 1 1 496.703 2.573 20 0 JFADMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294021 1063686866 /nfs/dbraw/zinc/68/68/66/1063686866.db2.gz CYICPONJVSVACI-RDJZCZTQSA-N 1 1 482.398 2.919 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294433 1063689671 /nfs/dbraw/zinc/68/96/71/1063689671.db2.gz JILMHBUNBSCLLL-QUCCMNQESA-N 1 1 489.665 2.544 20 0 JFADMO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291294610 1063690591 /nfs/dbraw/zinc/69/05/91/1063690591.db2.gz MSXHAWNQEVEYMK-AIDNLNPPSA-N 1 1 490.693 2.788 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294716 1063691396 /nfs/dbraw/zinc/69/13/96/1063691396.db2.gz OICQNXKVIGSUCR-APWZRJJASA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295466 1063695805 /nfs/dbraw/zinc/69/58/05/1063695805.db2.gz ZJMPDYFRZQONED-IAGOWNOFSA-N 1 1 464.408 2.780 20 0 JFADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295523 1063696469 /nfs/dbraw/zinc/69/64/69/1063696469.db2.gz ACPJNHIPJZMYRN-XLIONFOSSA-N 1 1 463.623 2.894 20 0 JFADMO CCN(Cc1cnn(C)c1)c1nnc(Cc2cccnc2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001295663017 1063705325 /nfs/dbraw/zinc/70/53/25/1063705325.db2.gz MEHMSEZDWYTVMA-HXUWFJFHSA-N 1 1 452.607 2.525 20 0 JFADMO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001291301853 1063710232 /nfs/dbraw/zinc/71/02/32/1063710232.db2.gz LXHVMMCDHZUNPD-AEFFLSMTSA-N 1 1 481.439 2.508 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306649 1063719394 /nfs/dbraw/zinc/71/93/94/1063719394.db2.gz DLNNLSLKDGAMTE-CVEARBPZSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306649 1063719408 /nfs/dbraw/zinc/71/94/08/1063719408.db2.gz DLNNLSLKDGAMTE-CVEARBPZSA-N 1 1 487.958 2.787 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291306679 1063719952 /nfs/dbraw/zinc/71/99/52/1063719952.db2.gz DRKNGDSWEJVZFI-RBUKOAKNSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291306679 1063719964 /nfs/dbraw/zinc/71/99/64/1063719964.db2.gz DRKNGDSWEJVZFI-RBUKOAKNSA-N 1 1 484.626 2.662 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291306892 1063720650 /nfs/dbraw/zinc/72/06/50/1063720650.db2.gz JGRDYHKKVXKFQA-SFHVURJKSA-N 1 1 465.602 2.565 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291306892 1063720660 /nfs/dbraw/zinc/72/06/60/1063720660.db2.gz JGRDYHKKVXKFQA-SFHVURJKSA-N 1 1 465.602 2.565 20 0 JFADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291306885 1063720828 /nfs/dbraw/zinc/72/08/28/1063720828.db2.gz JBTLUTLPNXLOGF-ICSRJNTNSA-N 1 1 456.591 2.769 20 0 JFADMO C[C@H]1COCC[N@H+]1CCn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291306885 1063720837 /nfs/dbraw/zinc/72/08/37/1063720837.db2.gz JBTLUTLPNXLOGF-ICSRJNTNSA-N 1 1 456.591 2.769 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291306993 1063721455 /nfs/dbraw/zinc/72/14/55/1063721455.db2.gz KUDUGCHZPKDRGD-IBGZPJMESA-N 1 1 472.609 2.888 20 0 JFADMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291306993 1063721466 /nfs/dbraw/zinc/72/14/66/1063721466.db2.gz KUDUGCHZPKDRGD-IBGZPJMESA-N 1 1 472.609 2.888 20 0 JFADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308095 1063727308 /nfs/dbraw/zinc/72/73/08/1063727308.db2.gz HOFAQXWWQSEIGF-MOPGFXCFSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308095 1063727323 /nfs/dbraw/zinc/72/73/23/1063727323.db2.gz HOFAQXWWQSEIGF-MOPGFXCFSA-N 1 1 471.606 2.554 20 0 JFADMO C[C@H]1N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CCOC1(C)C ZINC001291315802 1063748872 /nfs/dbraw/zinc/74/88/72/1063748872.db2.gz GHYKOCRWAJVRDF-SJORKVTESA-N 1 1 453.547 2.825 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1C ZINC001295741202 1063749057 /nfs/dbraw/zinc/74/90/57/1063749057.db2.gz XLONCKBCMNKYDW-LLVKDONJSA-N 1 1 450.704 2.654 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Cl)c(I)c2)C[C@H]1C ZINC001295741202 1063749072 /nfs/dbraw/zinc/74/90/72/1063749072.db2.gz XLONCKBCMNKYDW-LLVKDONJSA-N 1 1 450.704 2.654 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295741436 1063749688 /nfs/dbraw/zinc/74/96/88/1063749688.db2.gz XVXVCCYLXRDOOT-IRLDBZIGSA-N 1 1 469.634 2.597 20 0 JFADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@H]1C ZINC001295742053 1063750234 /nfs/dbraw/zinc/75/02/34/1063750234.db2.gz LBSDKHPMDJMJQL-AUUYWEPGSA-N 1 1 455.502 2.626 20 0 JFADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2c(F)cccc2F)C[C@H]1C ZINC001295742053 1063750246 /nfs/dbraw/zinc/75/02/46/1063750246.db2.gz LBSDKHPMDJMJQL-AUUYWEPGSA-N 1 1 455.502 2.626 20 0 JFADMO CCN(C[C@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295748490 1063753385 /nfs/dbraw/zinc/75/33/85/1063753385.db2.gz KWWSBKJPEROJTL-PPGORRQASA-N 1 1 479.666 2.895 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291321045 1063761714 /nfs/dbraw/zinc/76/17/14/1063761714.db2.gz DWIITWKCTPGOOG-OSPHWJPCSA-N 1 1 495.571 2.633 20 0 JFADMO C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291321045 1063761724 /nfs/dbraw/zinc/76/17/24/1063761724.db2.gz DWIITWKCTPGOOG-OSPHWJPCSA-N 1 1 495.571 2.633 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001291321046 1063761806 /nfs/dbraw/zinc/76/18/06/1063761806.db2.gz DWIITWKCTPGOOG-XDHUDOTRSA-N 1 1 495.571 2.633 20 0 JFADMO C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001291321046 1063761812 /nfs/dbraw/zinc/76/18/12/1063761812.db2.gz DWIITWKCTPGOOG-XDHUDOTRSA-N 1 1 495.571 2.633 20 0 JFADMO CCN(C[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC001295766358 1063774925 /nfs/dbraw/zinc/77/49/25/1063774925.db2.gz LIIJHGSJVNFMDE-WIYYLYMNSA-N 1 1 486.608 2.708 20 0 JFADMO CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295771359 1063780107 /nfs/dbraw/zinc/78/01/07/1063780107.db2.gz DFXAVCMOKBVADL-FGZHOGPDSA-N 1 1 454.619 2.655 20 0 JFADMO C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC001291333673 1063789340 /nfs/dbraw/zinc/78/93/40/1063789340.db2.gz NSCWQFGUBHKDFN-DLBZAZTESA-N 1 1 478.688 2.711 20 0 JFADMO C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOCC2(C)C)[C@H]1C ZINC001291333673 1063789351 /nfs/dbraw/zinc/78/93/51/1063789351.db2.gz NSCWQFGUBHKDFN-DLBZAZTESA-N 1 1 478.688 2.711 20 0 JFADMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cc[nH+]c2C)C1 ZINC001291337183 1063803752 /nfs/dbraw/zinc/80/37/52/1063803752.db2.gz VTUGSALGHNYDTQ-KRWDZBQOSA-N 1 1 489.422 2.746 20 0 JFADMO CCN(CCCn1c(-c2cccn2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)S(C)(=O)=O ZINC001295810910 1063807930 /nfs/dbraw/zinc/80/79/30/1063807930.db2.gz QMSOOWZONUIMPD-NRFANRHFSA-N 1 1 499.685 2.666 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(OC)c2)C1)C(C)C ZINC001295814989 1063816899 /nfs/dbraw/zinc/81/68/99/1063816899.db2.gz DPWBNFUUSDAZHW-QFIPXVFZSA-N 1 1 470.618 2.831 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC001295818984 1063822855 /nfs/dbraw/zinc/82/28/55/1063822855.db2.gz FFMGOGSBGBOJBL-HXUWFJFHSA-N 1 1 490.674 2.601 20 0 JFADMO CC[N@@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@]2(CC=CCC2)C1)C(C)C ZINC001295819004 1063822892 /nfs/dbraw/zinc/82/28/92/1063822892.db2.gz FMMJUZZUEJWUCI-DENIHFKCSA-N 1 1 452.669 2.945 20 0 JFADMO CC[N@@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1)C(C)C ZINC001295819046 1063823513 /nfs/dbraw/zinc/82/35/13/1063823513.db2.gz GMIPVMYSUPPUHO-PZJWPPBQSA-N 1 1 462.664 2.921 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](COC)O[C@@H](C)C1)C1CC1 ZINC001295820564 1063825518 /nfs/dbraw/zinc/82/55/18/1063825518.db2.gz DCYURPJHQFOMGU-SIKLNZKXSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)C(C)C ZINC001295820908 1063826722 /nfs/dbraw/zinc/82/67/22/1063826722.db2.gz JOFDRTVJBXRVCO-VWLOTQADSA-N 1 1 467.618 2.594 20 0 JFADMO CCCN(CCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)C(=O)OC(C)(C)C ZINC001295821238 1063827353 /nfs/dbraw/zinc/82/73/53/1063827353.db2.gz VZVNQEPQTGQKJS-UHFFFAOYSA-N 1 1 456.591 2.941 20 0 JFADMO CC[N@@H+](CCn1c(C)nnc1N1CCC(C(=O)Nc2nncs2)CC1)CCC(F)(F)F ZINC001295823631 1063830387 /nfs/dbraw/zinc/83/03/87/1063830387.db2.gz QDNPGLIFUUCFMG-UHFFFAOYSA-N 1 1 460.530 2.567 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(=O)OC)C1)C1CC1 ZINC001295823912 1063831165 /nfs/dbraw/zinc/83/11/65/1063831165.db2.gz XCXNVRFVMSQPAF-AWEZNQCLSA-N 1 1 465.396 2.530 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnccn2)CC1)C(C)C ZINC001295824841 1063832987 /nfs/dbraw/zinc/83/29/87/1063832987.db2.gz JTCOUYUGRDQIGR-UHFFFAOYSA-N 1 1 488.438 2.883 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@]2(CCOC2)C1)C(C)C ZINC001295825535 1063834600 /nfs/dbraw/zinc/83/46/00/1063834600.db2.gz YOONVURZWSRSFR-HXUWFJFHSA-N 1 1 467.412 2.762 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001291344817 1063834711 /nfs/dbraw/zinc/83/47/11/1063834711.db2.gz LLUZLXILXFTIBY-FYYLOGMGSA-N 1 1 486.636 2.860 20 0 JFADMO CC[N@@H+](CCn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C ZINC001295827113 1063835940 /nfs/dbraw/zinc/83/59/40/1063835940.db2.gz LKKPJYMWCGPULE-IBGZPJMESA-N 1 1 474.675 2.957 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1)C(C)C ZINC001295829329 1063840795 /nfs/dbraw/zinc/84/07/95/1063840795.db2.gz HKHYGVAIAQSQSR-SANMLTNESA-N 1 1 486.661 2.994 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291345719 1063840841 /nfs/dbraw/zinc/84/08/41/1063840841.db2.gz CODDTNIAKYDGBG-RPWUZVMVSA-N 1 1 482.673 2.915 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291345718 1063840927 /nfs/dbraw/zinc/84/09/27/1063840927.db2.gz CODDTNIAKYDGBG-DNQXCXABSA-N 1 1 482.673 2.915 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(C)C ZINC001295829615 1063841691 /nfs/dbraw/zinc/84/16/91/1063841691.db2.gz KPBUJVHQDXKKDB-UHFFFAOYSA-N 1 1 482.633 2.957 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295829734 1063842141 /nfs/dbraw/zinc/84/21/41/1063842141.db2.gz JTVPUOJKZWDAMK-QGZVFWFLSA-N 1 1 455.028 2.737 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)[C@H](C)C1)CCC(F)(F)F ZINC001295829632 1063842282 /nfs/dbraw/zinc/84/22/82/1063842282.db2.gz JALLTETYYSVROT-CQSZACIVSA-N 1 1 473.931 2.935 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)C(C)C ZINC001295830070 1063843370 /nfs/dbraw/zinc/84/33/70/1063843370.db2.gz LDZAODKSIFFSAR-QUCCMNQESA-N 1 1 462.042 2.881 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001291346107 1063843375 /nfs/dbraw/zinc/84/33/75/1063843375.db2.gz KBOPBKDWPWNUDB-FCHUYYIVSA-N 1 1 468.646 2.909 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(=O)NC)CC1)C(C)C ZINC001295830485 1063844773 /nfs/dbraw/zinc/84/47/73/1063844773.db2.gz NZGGJTBKMJKQSL-UHFFFAOYSA-N 1 1 458.607 2.655 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NC)CC1)CCC(F)(F)F ZINC001295830650 1063844886 /nfs/dbraw/zinc/84/48/86/1063844886.db2.gz XLSNCKAKHMUJJI-UHFFFAOYSA-N 1 1 457.501 2.582 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOC(C)(C)C1)C(C)C ZINC001295831217 1063846600 /nfs/dbraw/zinc/84/66/00/1063846600.db2.gz WAFDHGRBURLJCM-UHFFFAOYSA-N 1 1 486.661 2.994 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295831550 1063847084 /nfs/dbraw/zinc/84/70/84/1063847084.db2.gz ZUXWNMJZFXREEQ-LJQANCHMSA-N 1 1 479.647 2.706 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295834081 1063849983 /nfs/dbraw/zinc/84/99/83/1063849983.db2.gz PGMXSAFWHDDFOA-UHFFFAOYSA-N 1 1 488.580 2.691 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291348269 1063852933 /nfs/dbraw/zinc/85/29/33/1063852933.db2.gz GTJDGFPVYGHTMQ-MKQKURRLSA-N 1 1 476.666 2.618 20 0 JFADMO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001291348270 1063852989 /nfs/dbraw/zinc/85/29/89/1063852989.db2.gz GTJDGFPVYGHTMQ-VZWAGXQNSA-N 1 1 476.666 2.618 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1)C(C)C ZINC001295836817 1063853876 /nfs/dbraw/zinc/85/38/76/1063853876.db2.gz XXTPJKBGQLFEPP-UHFFFAOYSA-N 1 1 467.662 2.728 20 0 JFADMO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001291349756 1063856237 /nfs/dbraw/zinc/85/62/37/1063856237.db2.gz XCQYMPVUSLQNQD-YQVWRLOYSA-N 1 1 452.669 2.778 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C(C)C ZINC001295838673 1063857426 /nfs/dbraw/zinc/85/74/26/1063857426.db2.gz LIRYOXLENBQELK-UHFFFAOYSA-N 1 1 482.608 2.903 20 0 JFADMO CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1)C(C)C ZINC001295839422 1063858570 /nfs/dbraw/zinc/85/85/70/1063858570.db2.gz VGROPBZRNCNMMD-UHFFFAOYSA-N 1 1 484.693 2.917 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001295844512 1063863967 /nfs/dbraw/zinc/86/39/67/1063863967.db2.gz CFPHPJFAQSVQJJ-OALUTQOASA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@@H+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(OC)C1)C(C)C ZINC001295844929 1063864991 /nfs/dbraw/zinc/86/49/91/1063864991.db2.gz GSWXTDBNUPWNPQ-RUZDIDTESA-N 1 1 467.618 2.928 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001291358412 1063865475 /nfs/dbraw/zinc/86/54/75/1063865475.db2.gz LDZFEXJFHQWAIE-KBMIEXCESA-N 1 1 470.618 2.567 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1)CCC(F)(F)F ZINC001295845153 1063865958 /nfs/dbraw/zinc/86/59/58/1063865958.db2.gz JRYCXZJQJURLJW-ROUUACIJSA-N 1 1 472.556 2.899 20 0 JFADMO CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845195 1063866231 /nfs/dbraw/zinc/86/62/31/1063866231.db2.gz KXOCXYPTWDGGTR-SFHVURJKSA-N 1 1 471.572 2.568 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295846894 1063869442 /nfs/dbraw/zinc/86/94/42/1063869442.db2.gz ZNVLVXJITPKFGT-FHWLQOOXSA-N 1 1 477.654 2.699 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291360365 1063870673 /nfs/dbraw/zinc/87/06/73/1063870673.db2.gz UKKWNCPDJSYQQJ-AUSIDOKSSA-N 1 1 461.010 2.697 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1)CCC(F)(F)F ZINC001295848301 1063871418 /nfs/dbraw/zinc/87/14/18/1063871418.db2.gz LJIIYEUSZTZMQP-LJQANCHMSA-N 1 1 474.572 2.799 20 0 JFADMO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001291360523 1063871641 /nfs/dbraw/zinc/87/16/41/1063871641.db2.gz WSLPUTLYBOURIB-AREMUKBSSA-N 1 1 493.612 2.726 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1)C(C)C ZINC001295850487 1063874089 /nfs/dbraw/zinc/87/40/89/1063874089.db2.gz WNLJYRSFVPTDJN-UQBPGWFLSA-N 1 1 491.681 2.825 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1)CCC(F)(F)F ZINC001295854063 1063882190 /nfs/dbraw/zinc/88/21/90/1063882190.db2.gz UCCYDSPNZYRIGV-SFHVURJKSA-N 1 1 472.556 2.505 20 0 JFADMO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001295854164 1063882720 /nfs/dbraw/zinc/88/27/20/1063882720.db2.gz DSRHBAIAMOYLKQ-UZLBHIALSA-N 1 1 462.545 2.812 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1)C(C)C ZINC001295854425 1063883505 /nfs/dbraw/zinc/88/35/05/1063883505.db2.gz WDHQFYPMOMDGBU-HXUWFJFHSA-N 1 1 458.582 2.614 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CNC(C)=O)CC1)C(C)C ZINC001295857542 1063888566 /nfs/dbraw/zinc/88/85/66/1063888566.db2.gz SOKRSJDTMNEVHK-HSZRJFAPSA-N 1 1 470.618 2.873 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1)C(C)C ZINC001295859653 1063890753 /nfs/dbraw/zinc/89/07/53/1063890753.db2.gz SPLWBJVGHYZIDD-UHFFFAOYSA-N 1 1 452.607 2.613 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001295859776 1063890772 /nfs/dbraw/zinc/89/07/72/1063890772.db2.gz WVGCFVRGDGMTAY-LJQANCHMSA-N 1 1 451.612 2.752 20 0 JFADMO CC[N@@H+](CCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001295860490 1063891552 /nfs/dbraw/zinc/89/15/52/1063891552.db2.gz BOEIUVHPBVKJQN-FQEVSTJZSA-N 1 1 470.565 2.921 20 0 JFADMO CCN(CCn1c(Cc2ccncc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC001295860519 1063891868 /nfs/dbraw/zinc/89/18/68/1063891868.db2.gz CQQVPIZGDAQDST-AREMUKBSSA-N 1 1 499.660 2.822 20 0 JFADMO CC[N@@H+](CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](O)C1)CCC(F)(F)F ZINC001295860749 1063892502 /nfs/dbraw/zinc/89/25/02/1063892502.db2.gz LOHDVPAEZCGXGH-MJGOQNOKSA-N 1 1 479.551 2.998 20 0 JFADMO CC[N@@H+](CCn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001295861743 1063893894 /nfs/dbraw/zinc/89/38/94/1063893894.db2.gz HSSMAMOIAYXIRV-UHFFFAOYSA-N 1 1 452.525 2.616 20 0 JFADMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295865126 1063896137 /nfs/dbraw/zinc/89/61/37/1063896137.db2.gz CIDWUFAGZXLXCJ-OAQYLSRUSA-N 1 1 479.622 2.884 20 0 JFADMO CC[C@@](C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001291371026 1063897451 /nfs/dbraw/zinc/89/74/51/1063897451.db2.gz HJAIXCJIODVHPW-WIOPSUGQSA-N 1 1 473.618 2.890 20 0 JFADMO CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1)CCC(F)(F)F ZINC001295865584 1063898529 /nfs/dbraw/zinc/89/85/29/1063898529.db2.gz DFUFXYYKJFFKKO-UHFFFAOYSA-N 1 1 474.553 2.771 20 0 JFADMO CC[N@@H+](CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)C1CC1 ZINC001295866019 1063899029 /nfs/dbraw/zinc/89/90/29/1063899029.db2.gz IXHUTVZUDQCQAX-VWLOTQADSA-N 1 1 454.619 2.921 20 0 JFADMO CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001291372301 1063900072 /nfs/dbraw/zinc/90/00/72/1063900072.db2.gz YUCLULBHFHJQTM-RDGATRHJSA-N 1 1 489.686 2.690 20 0 JFADMO CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCOCC2)C1)CCC(F)(F)F ZINC001295867573 1063902863 /nfs/dbraw/zinc/90/28/63/1063902863.db2.gz VQZJHGZSQNTCHG-UHFFFAOYSA-N 1 1 499.582 2.800 20 0 JFADMO CC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001291376200 1063906800 /nfs/dbraw/zinc/90/68/00/1063906800.db2.gz RVHJMQLRCOKFEY-QHCPKHFHSA-N 1 1 457.648 2.764 20 0 JFADMO CC[N@@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869295 1063907000 /nfs/dbraw/zinc/90/70/00/1063907000.db2.gz LYLPHHAWJVQLPX-IPMKNSEASA-N 1 1 455.669 2.550 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)CCC(F)(F)F ZINC001295869759 1063907480 /nfs/dbraw/zinc/90/74/80/1063907480.db2.gz QWELZIWOTAWQAO-QGZVFWFLSA-N 1 1 486.518 2.660 20 0 JFADMO CC[N@@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1)CCC(F)(F)F ZINC001295870234 1063907744 /nfs/dbraw/zinc/90/77/44/1063907744.db2.gz WKTHMDAURUMNAX-QGZVFWFLSA-N 1 1 472.556 2.853 20 0 JFADMO CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291379380 1063914122 /nfs/dbraw/zinc/91/41/22/1063914122.db2.gz YPXFRTRIGMCXOT-GOTSBHOMSA-N 1 1 464.010 2.973 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001295880416 1063924835 /nfs/dbraw/zinc/92/48/35/1063924835.db2.gz BOLHYNIOYXSXCU-PMACEKPBSA-N 1 1 455.669 2.759 20 0 JFADMO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001295887673 1063935859 /nfs/dbraw/zinc/93/58/59/1063935859.db2.gz XWFCLRQATIBBSN-FQEVSTJZSA-N 1 1 456.616 2.822 20 0 JFADMO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[N@H+]3CCC[C@H](C)C3)CCN2C1=O ZINC001295891702 1063943608 /nfs/dbraw/zinc/94/36/08/1063943608.db2.gz CMGOXVGRLBOZBA-PMACEKPBSA-N 1 1 473.666 2.852 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001291393879 1063947118 /nfs/dbraw/zinc/94/71/18/1063947118.db2.gz QCGCQOHHBFVABX-AFMDSPMNSA-N 1 1 481.645 2.910 20 0 JFADMO CCn1cc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900587 1063953582 /nfs/dbraw/zinc/95/35/82/1063953582.db2.gz DUIHIJBBSRMXMS-YADHBBJMSA-N 1 1 459.639 2.628 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291397896 1063955423 /nfs/dbraw/zinc/95/54/23/1063955423.db2.gz QVZOINYSEOATMI-KUQPJALBSA-N 1 1 489.686 2.688 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291397896 1063955431 /nfs/dbraw/zinc/95/54/31/1063955431.db2.gz QVZOINYSEOATMI-KUQPJALBSA-N 1 1 489.686 2.688 20 0 JFADMO CCn1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC001295915305 1063967666 /nfs/dbraw/zinc/96/76/66/1063967666.db2.gz MTKNBSDCNTYMAX-ZVDOUQERSA-N 1 1 491.706 2.790 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291403657 1063969425 /nfs/dbraw/zinc/96/94/25/1063969425.db2.gz NVQYGOGCJBQICW-GEQKSPFYSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291403657 1063969428 /nfs/dbraw/zinc/96/94/28/1063969428.db2.gz NVQYGOGCJBQICW-GEQKSPFYSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291403658 1063969904 /nfs/dbraw/zinc/96/99/04/1063969904.db2.gz NVQYGOGCJBQICW-GWJPWWOOSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291403658 1063969911 /nfs/dbraw/zinc/96/99/11/1063969911.db2.gz NVQYGOGCJBQICW-GWJPWWOOSA-N 1 1 464.010 2.828 20 0 JFADMO CC[C@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291403895 1063970352 /nfs/dbraw/zinc/97/03/52/1063970352.db2.gz QRDCHTSPAUMKDL-MBSDFSHPSA-N 1 1 460.648 2.581 20 0 JFADMO CC[C@@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001291403896 1063970378 /nfs/dbraw/zinc/97/03/78/1063970378.db2.gz QRDCHTSPAUMKDL-WZONZLPQSA-N 1 1 460.648 2.581 20 0 JFADMO CCn1cc(CN(C)c2nnc(CCc3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC001295918820 1063972895 /nfs/dbraw/zinc/97/28/95/1063972895.db2.gz VRGNMILAJJRWAL-UHFFFAOYSA-N 1 1 464.662 2.942 20 0 JFADMO CCn1cc(CN(C)c2nnc(CCc3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001295918820 1063972902 /nfs/dbraw/zinc/97/29/02/1063972902.db2.gz VRGNMILAJJRWAL-UHFFFAOYSA-N 1 1 464.662 2.942 20 0 JFADMO CCn1cc(CN(C)c2nnc(CCc3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cn1 ZINC001295918820 1063972907 /nfs/dbraw/zinc/97/29/07/1063972907.db2.gz VRGNMILAJJRWAL-UHFFFAOYSA-N 1 1 464.662 2.942 20 0 JFADMO CCn1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)cn1 ZINC001295933539 1063985395 /nfs/dbraw/zinc/98/53/95/1063985395.db2.gz GYIFTYKEGMWDPK-OAQYLSRUSA-N 1 1 467.618 2.896 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)OC ZINC001291411753 1063987795 /nfs/dbraw/zinc/98/77/95/1063987795.db2.gz ONPMAPLPMVBXOX-WAOWUJCRSA-N 1 1 453.595 2.512 20 0 JFADMO CCn1cccc(Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295938261 1063988767 /nfs/dbraw/zinc/98/87/67/1063988767.db2.gz HGONARKXIQFBJO-PMACEKPBSA-N 1 1 498.603 2.944 20 0 JFADMO CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291414596 1063991264 /nfs/dbraw/zinc/99/12/64/1063991264.db2.gz ZTUCGUFRAPHLLS-TZYAJKAJSA-N 1 1 485.677 2.724 20 0 JFADMO CCn1cccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295939849 1063993809 /nfs/dbraw/zinc/99/38/09/1063993809.db2.gz YEYVVOKCNFLUST-SFHVURJKSA-N 1 1 471.005 2.985 20 0 JFADMO CCn1cccc(Cn2c(Cc3csc(C)n3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)c1=O ZINC001295949888 1064000094 /nfs/dbraw/zinc/00/00/94/1064000094.db2.gz ROKUTWOPTXMUIU-UHFFFAOYSA-N 1 1 499.685 2.658 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420482 1064001423 /nfs/dbraw/zinc/00/14/23/1064001423.db2.gz XXKGNWKLUKQHSH-BHDDXSALSA-N 1 1 476.666 2.715 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001291420482 1064001428 /nfs/dbraw/zinc/00/14/28/1064001428.db2.gz XXKGNWKLUKQHSH-BHDDXSALSA-N 1 1 476.666 2.715 20 0 JFADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)CC1 ZINC001295951647 1064003320 /nfs/dbraw/zinc/00/33/20/1064003320.db2.gz KZVWSQWQUVYEJN-KRWDZBQOSA-N 1 1 450.986 2.849 20 0 JFADMO Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001295954869 1064006520 /nfs/dbraw/zinc/00/65/20/1064006520.db2.gz LEUZXPZKJRMGJF-INIZCTEOSA-N 1 1 454.575 2.645 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001291425960 1064008442 /nfs/dbraw/zinc/00/84/42/1064008442.db2.gz SBQVPZNIHWKWCS-JRSUCEMESA-N 1 1 492.665 2.631 20 0 JFADMO CC[C@H](C)[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001291425960 1064008450 /nfs/dbraw/zinc/00/84/50/1064008450.db2.gz SBQVPZNIHWKWCS-JRSUCEMESA-N 1 1 492.665 2.631 20 0 JFADMO CCn1cnnc1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001295963513 1064012723 /nfs/dbraw/zinc/01/27/23/1064012723.db2.gz NHYHICBUMCWPDX-UHFFFAOYSA-N 1 1 473.025 2.729 20 0 JFADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291435255 1064015972 /nfs/dbraw/zinc/01/59/72/1064015972.db2.gz ZXVKRTZHCXXQLO-FCHUYYIVSA-N 1 1 469.682 2.714 20 0 JFADMO CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001291437973 1064017824 /nfs/dbraw/zinc/01/78/24/1064017824.db2.gz UZZMIOMCTRRIDQ-NRFANRHFSA-N 1 1 485.677 2.866 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001295975452 1064019294 /nfs/dbraw/zinc/01/92/94/1064019294.db2.gz CAVPGPCRXUKQQO-DLBZAZTESA-N 1 1 495.550 2.817 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001295975456 1064019356 /nfs/dbraw/zinc/01/93/56/1064019356.db2.gz CAVPGPCRXUKQQO-IRXDYDNUSA-N 1 1 495.550 2.817 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(O)CCOC)C[C@@H]1C ZINC001295975866 1064020754 /nfs/dbraw/zinc/02/07/54/1064020754.db2.gz FSFZAPKZMXKWBY-LLJLJFOGSA-N 1 1 493.052 2.568 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@@H]1C ZINC001295976073 1064021557 /nfs/dbraw/zinc/02/15/57/1064021557.db2.gz CFQPPBFATWELGK-LSDHHAIUSA-N 1 1 459.396 2.803 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976264 1064022037 /nfs/dbraw/zinc/02/20/37/1064022037.db2.gz HFBQOMJOAKEVTP-CNNODRBYSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976264 1064022041 /nfs/dbraw/zinc/02/20/41/1064022041.db2.gz HFBQOMJOAKEVTP-CNNODRBYSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976266 1064022134 /nfs/dbraw/zinc/02/21/34/1064022134.db2.gz HFBQOMJOAKEVTP-IPJJNNNSSA-N 1 1 471.625 2.875 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001295976266 1064022141 /nfs/dbraw/zinc/02/21/41/1064022141.db2.gz HFBQOMJOAKEVTP-IPJJNNNSSA-N 1 1 471.625 2.875 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001291456823 1064022477 /nfs/dbraw/zinc/02/24/77/1064022477.db2.gz YUWXCRFUOAPPPG-GOSISDBHSA-N 1 1 454.619 2.673 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc2c(c1)C(=O)NCC2 ZINC001291456823 1064022488 /nfs/dbraw/zinc/02/24/88/1064022488.db2.gz YUWXCRFUOAPPPG-GOSISDBHSA-N 1 1 454.619 2.673 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001291456395 1064022597 /nfs/dbraw/zinc/02/25/97/1064022597.db2.gz PRXHNKNKZFDJGB-JOCHJYFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001291456395 1064022603 /nfs/dbraw/zinc/02/26/03/1064022603.db2.gz PRXHNKNKZFDJGB-JOCHJYFZSA-N 1 1 497.688 2.687 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295976839 1064022924 /nfs/dbraw/zinc/02/29/24/1064022924.db2.gz LOXPUHPNZJBXME-KGLIPLIRSA-N 1 1 472.487 2.847 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](F)COC)C[C@@H]1C ZINC001295977319 1064023297 /nfs/dbraw/zinc/02/32/97/1064023297.db2.gz KERHOWAPXOVGOA-BXWFABGCSA-N 1 1 466.989 2.765 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCn1cc(Br)cn1 ZINC001291457848 1064024271 /nfs/dbraw/zinc/02/42/71/1064024271.db2.gz UQAMVYCQDWUZHV-MRXNPFEDSA-N 1 1 468.444 2.998 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCn1cc(Br)cn1 ZINC001291457848 1064024275 /nfs/dbraw/zinc/02/42/75/1064024275.db2.gz UQAMVYCQDWUZHV-MRXNPFEDSA-N 1 1 468.444 2.998 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CSCCS2)C[C@@H]1C ZINC001295977890 1064024393 /nfs/dbraw/zinc/02/43/93/1064024393.db2.gz LYIMZWPFTCGQLR-YESZJQIVSA-N 1 1 461.661 2.693 20 0 JFADMO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@]1(OC)CCOC1 ZINC001291458725 1064025272 /nfs/dbraw/zinc/02/52/72/1064025272.db2.gz MXCBVBXIZLWYHK-NMNFXAFOSA-N 1 1 459.639 2.850 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@]1(OC)CCOC1 ZINC001291458723 1064025359 /nfs/dbraw/zinc/02/53/59/1064025359.db2.gz MXCBVBXIZLWYHK-JGUFOIBDSA-N 1 1 459.639 2.850 20 0 JFADMO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)NC(C)C ZINC001291458767 1064025377 /nfs/dbraw/zinc/02/53/77/1064025377.db2.gz NLBFATHYFONZRH-CNNODRBYSA-N 1 1 458.655 2.959 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978027 1064025501 /nfs/dbraw/zinc/02/55/01/1064025501.db2.gz JMCMGLMSAQACCB-SVFBPWRDSA-N 1 1 492.690 2.893 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026510 /nfs/dbraw/zinc/02/65/10/1064026510.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 1 1 474.675 2.752 20 0 JFADMO CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026514 /nfs/dbraw/zinc/02/65/14/1064026514.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 1 1 474.675 2.752 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978831 1064027012 /nfs/dbraw/zinc/02/70/12/1064027012.db2.gz TVPRRBAXDFDIOY-ZWKOTPCHSA-N 1 1 460.648 2.914 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001295979132 1064027578 /nfs/dbraw/zinc/02/75/78/1064027578.db2.gz UWTSWQJDAISSLK-IRXDYDNUSA-N 1 1 470.039 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470126 1064030155 /nfs/dbraw/zinc/03/01/55/1064030155.db2.gz LTLORUPFHLBZCT-NNMXDRDESA-N 1 1 469.634 2.622 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001291470165 1064030624 /nfs/dbraw/zinc/03/06/24/1064030624.db2.gz MGZVJRHJVDYWSV-FHWLQOOXSA-N 1 1 450.628 2.863 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001295980571 1064030724 /nfs/dbraw/zinc/03/07/24/1064030724.db2.gz ZOAWYPSXFFFYQN-ROUUACIJSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001295980571 1064030732 /nfs/dbraw/zinc/03/07/32/1064030732.db2.gz ZOAWYPSXFFFYQN-ROUUACIJSA-N 1 1 461.632 2.697 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295980682 1064031116 /nfs/dbraw/zinc/03/11/16/1064031116.db2.gz RAEWKSUZZYNQTC-RBUKOAKNSA-N 1 1 477.654 2.690 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295982138 1064033760 /nfs/dbraw/zinc/03/37/60/1064033760.db2.gz WKBPQGSGTJRQHI-CVEARBPZSA-N 1 1 468.693 2.843 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)n1CCc1cccc(C(N)=O)c1 ZINC001291475173 1064034310 /nfs/dbraw/zinc/03/43/10/1064034310.db2.gz AVJMYEZQNHIIBX-CZTZKLFOSA-N 1 1 454.619 2.680 20 0 JFADMO CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001291473563 1064034370 /nfs/dbraw/zinc/03/43/70/1064034370.db2.gz GFTMZCSMNBOJGA-SGIRGMQISA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291478637 1064035638 /nfs/dbraw/zinc/03/56/38/1064035638.db2.gz WPLNPPPIOFKUQY-BJLQDIEVSA-N 1 1 473.618 2.709 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982540 1064035800 /nfs/dbraw/zinc/03/58/00/1064035800.db2.gz URHFAKFQXFHAJW-FGTMMUONSA-N 1 1 487.630 2.511 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001295982895 1064037182 /nfs/dbraw/zinc/03/71/82/1064037182.db2.gz GLVYZXLPMHECTJ-ROUUACIJSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CC2(S(C)(=O)=O)CCC2)C[C@@H]1C ZINC001295982895 1064037191 /nfs/dbraw/zinc/03/71/91/1064037191.db2.gz GLVYZXLPMHECTJ-ROUUACIJSA-N 1 1 461.632 2.840 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC001295983446 1064037917 /nfs/dbraw/zinc/03/79/17/1064037917.db2.gz WEZKMFRZUCDIRN-IZVMNLJQSA-N 1 1 498.672 2.840 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983173 1064038393 /nfs/dbraw/zinc/03/83/93/1064038393.db2.gz YOMJFHCIJOADGG-ZLNRFVROSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983173 1064038395 /nfs/dbraw/zinc/03/83/95/1064038395.db2.gz YOMJFHCIJOADGG-ZLNRFVROSA-N 1 1 496.704 2.546 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001295984100 1064041140 /nfs/dbraw/zinc/04/11/40/1064041140.db2.gz LCOFTOFIMHDHFX-SJORKVTESA-N 1 1 458.998 2.692 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041354 /nfs/dbraw/zinc/04/13/54/1064041354.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 1 1 486.661 2.992 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001295984243 1064041940 /nfs/dbraw/zinc/04/19/40/1064041940.db2.gz YITHLWMBGBKEHH-OKZBNKHCSA-N 1 1 480.704 2.886 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291484777 1064041894 /nfs/dbraw/zinc/04/18/94/1064041894.db2.gz FBCUVBVNKUNNKW-DWXRJYCRSA-N 1 1 486.636 2.839 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001295987348 1064043972 /nfs/dbraw/zinc/04/39/72/1064043972.db2.gz ZYUVDZOQFFYXQK-DLKQWWBSSA-N 1 1 461.632 2.792 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001291487046 1064044004 /nfs/dbraw/zinc/04/40/04/1064044004.db2.gz PTUAGKAENDKSQK-OALUTQOASA-N 1 1 454.619 2.762 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001291487046 1064044012 /nfs/dbraw/zinc/04/40/12/1064044012.db2.gz PTUAGKAENDKSQK-OALUTQOASA-N 1 1 454.619 2.762 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001295991804 1064046779 /nfs/dbraw/zinc/04/67/79/1064046779.db2.gz BOPKQXZKUCDDQL-ROUUACIJSA-N 1 1 467.618 2.926 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295993218 1064048323 /nfs/dbraw/zinc/04/83/23/1064048323.db2.gz GYLMURCTDTVQHS-WSTZPKSXSA-N 1 1 472.638 2.997 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993489 1064048929 /nfs/dbraw/zinc/04/89/29/1064048929.db2.gz HVJCVUMMHRLLTK-WOJBJXKFSA-N 1 1 464.618 2.822 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295994071 1064049823 /nfs/dbraw/zinc/04/98/23/1064049823.db2.gz IULLLQRCFDVLGN-OALUTQOASA-N 1 1 451.575 2.728 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001291502236 1064052719 /nfs/dbraw/zinc/05/27/19/1064052719.db2.gz DBQRLEIQWCWOHF-UYAOXDASSA-N 1 1 472.609 2.828 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001291502233 1064052830 /nfs/dbraw/zinc/05/28/30/1064052830.db2.gz DBQRLEIQWCWOHF-AZUAARDMSA-N 1 1 472.609 2.828 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001295997824 1064054225 /nfs/dbraw/zinc/05/42/25/1064054225.db2.gz SJBGHBZIFWDMKT-MUGJNUQGSA-N 1 1 470.618 2.872 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998335 1064055657 /nfs/dbraw/zinc/05/56/57/1064055657.db2.gz VIFUPQCFDDSIHY-DYXWJJEUSA-N 1 1 472.609 2.589 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998991 1064056129 /nfs/dbraw/zinc/05/61/29/1064056129.db2.gz YHSDKEMYQPLPBA-ROUUACIJSA-N 1 1 478.592 2.653 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001291504744 1064056284 /nfs/dbraw/zinc/05/62/84/1064056284.db2.gz WFQPIKUSLVQNQE-TZIWHRDSSA-N 1 1 468.712 2.925 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002074 1064057622 /nfs/dbraw/zinc/05/76/22/1064057622.db2.gz KKXLXDSGDFOQBM-IAGOWNOFSA-N 1 1 468.005 2.983 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003209 1064058402 /nfs/dbraw/zinc/05/84/02/1064058402.db2.gz SBEYPDWICQOKDO-ZWKOTPCHSA-N 1 1 454.550 2.836 20 0 JFADMO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061924 /nfs/dbraw/zinc/06/19/24/1064061924.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061934 /nfs/dbraw/zinc/06/19/34/1064061934.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 1 1 455.651 2.540 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296009600 1064065254 /nfs/dbraw/zinc/06/52/54/1064065254.db2.gz HDSIVMFPBWTKHX-PMACEKPBSA-N 1 1 475.659 2.909 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009662 1064065752 /nfs/dbraw/zinc/06/57/52/1064065752.db2.gz ICJXELNFSJVYDW-RBUKOAKNSA-N 1 1 467.622 2.780 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009625 1064065803 /nfs/dbraw/zinc/06/58/03/1064065803.db2.gz HTZORYGPYDWSKW-NHCUHLMSSA-N 1 1 484.645 2.675 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010708 1064069215 /nfs/dbraw/zinc/06/92/15/1064069215.db2.gz CTHCQUOVWYGQQT-HBMCJLEFSA-N 1 1 472.634 2.505 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001296010877 1064070002 /nfs/dbraw/zinc/07/00/02/1064070002.db2.gz MZXMNDBUIYLGBC-UXHICEINSA-N 1 1 496.660 2.898 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001291517698 1064070357 /nfs/dbraw/zinc/07/03/57/1064070357.db2.gz ZPGOQZLEKWGZBW-SFHVURJKSA-N 1 1 453.591 2.595 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012321 1064072650 /nfs/dbraw/zinc/07/26/50/1064072650.db2.gz JTXVYQPSYNTKPF-CNNODRBYSA-N 1 1 470.618 2.564 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013593 1064074546 /nfs/dbraw/zinc/07/45/46/1064074546.db2.gz WNFFRVOAFFQEFQ-NHCUHLMSSA-N 1 1 482.633 2.527 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524095 1064074604 /nfs/dbraw/zinc/07/46/04/1064074604.db2.gz GBYKPACWKSLYOR-DENIHFKCSA-N 1 1 482.677 2.758 20 0 JFADMO CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524098 1064074720 /nfs/dbraw/zinc/07/47/20/1064074720.db2.gz GBYKPACWKSLYOR-UGKGYDQZSA-N 1 1 482.677 2.758 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001296015214 1064076789 /nfs/dbraw/zinc/07/67/89/1064076789.db2.gz ZVBQFGKTCVSMJK-FGZHOGPDSA-N 1 1 478.645 2.765 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001296015221 1064077061 /nfs/dbraw/zinc/07/70/61/1064077061.db2.gz ZWFOXICTJOVXIO-DYXWJJEUSA-N 1 1 454.619 2.999 20 0 JFADMO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015256 1064077178 /nfs/dbraw/zinc/07/71/78/1064077178.db2.gz RKFIVACYSARHNS-AABGKKOBSA-N 1 1 492.665 2.811 20 0 JFADMO CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015257 1064077222 /nfs/dbraw/zinc/07/72/22/1064077222.db2.gz RKFIVACYSARHNS-AQNXPRMDSA-N 1 1 492.665 2.811 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291538981 1064079976 /nfs/dbraw/zinc/07/99/76/1064079976.db2.gz XYUFJMYEXAYASL-SLFFLAALSA-N 1 1 454.685 2.678 20 0 JFADMO CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001296028204 1064087283 /nfs/dbraw/zinc/08/72/83/1064087283.db2.gz WDVZBPZLSQMKOL-IBGZPJMESA-N 1 1 475.707 2.913 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(Cc3cccc(C)c3)CC2)C1 ZINC001296032994 1064090528 /nfs/dbraw/zinc/09/05/28/1064090528.db2.gz HITDKAWFAQOHOF-QFIPXVFZSA-N 1 1 468.646 2.641 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC001296033070 1064091020 /nfs/dbraw/zinc/09/10/20/1064091020.db2.gz JBIXBAYEVACRHY-UXHICEINSA-N 1 1 490.674 2.758 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033076 1064091358 /nfs/dbraw/zinc/09/13/58/1064091358.db2.gz JBSVFMMPUJHFDC-VAMGGRTRSA-N 1 1 480.654 2.790 20 0 JFADMO CCN(Cc1ccc(Cl)s1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001296033320 1064091865 /nfs/dbraw/zinc/09/18/65/1064091865.db2.gz KXQIMECKLDCKJG-LSDHHAIUSA-N 1 1 475.084 2.972 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296034148 1064092781 /nfs/dbraw/zinc/09/27/81/1064092781.db2.gz RFECPHTXBFICOV-QYZOEREBSA-N 1 1 498.632 2.617 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296034637 1064093090 /nfs/dbraw/zinc/09/30/90/1064093090.db2.gz WJXWVUNGYWOMFL-NRFANRHFSA-N 1 1 481.645 2.794 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296034682 1064093383 /nfs/dbraw/zinc/09/33/83/1064093383.db2.gz WXKZFGFHKZXSAH-FUHIMQAGSA-N 1 1 465.595 2.522 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC2CCC2)C1 ZINC001296035447 1064094555 /nfs/dbraw/zinc/09/45/55/1064094555.db2.gz DIGKKSUWIFNQCO-IBGZPJMESA-N 1 1 460.648 2.774 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001296035438 1064094576 /nfs/dbraw/zinc/09/45/76/1064094576.db2.gz CZOPBITZWSIDQT-WAIKUNEKSA-N 1 1 462.545 2.851 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001296035435 1064094583 /nfs/dbraw/zinc/09/45/83/1064094583.db2.gz CZOPBITZWSIDQT-HJPURHCSSA-N 1 1 462.545 2.851 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001291568068 1064095461 /nfs/dbraw/zinc/09/54/61/1064095461.db2.gz KDKCCYWYLQWQIB-OAQYLSRUSA-N 1 1 487.693 2.765 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001291568068 1064095471 /nfs/dbraw/zinc/09/54/71/1064095471.db2.gz KDKCCYWYLQWQIB-OAQYLSRUSA-N 1 1 487.693 2.765 20 0 JFADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001291568406 1064095843 /nfs/dbraw/zinc/09/58/43/1064095843.db2.gz BFTCNITUZNVRNS-SFHVURJKSA-N 1 1 468.581 2.796 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(CCOC)CC2)C1 ZINC001296036839 1064096891 /nfs/dbraw/zinc/09/68/91/1064096891.db2.gz MOJKCFMRGSNRCJ-QGZVFWFLSA-N 1 1 495.441 2.957 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001291571182 1064097703 /nfs/dbraw/zinc/09/77/03/1064097703.db2.gz QYVHIYNZBGVCQV-LJQANCHMSA-N 1 1 451.623 2.747 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001296037975 1064098324 /nfs/dbraw/zinc/09/83/24/1064098324.db2.gz NJVAGXVIHYRKMY-WMZOPIPTSA-N 1 1 462.545 2.945 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001296039732 1064099460 /nfs/dbraw/zinc/09/94/60/1064099460.db2.gz STOGGNORJHJZEA-WSTZPKSXSA-N 1 1 459.591 2.544 20 0 JFADMO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001291577068 1064100232 /nfs/dbraw/zinc/10/02/32/1064100232.db2.gz PHRUEOSBSITWCN-SFHVURJKSA-N 1 1 456.628 2.985 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001296040374 1064100285 /nfs/dbraw/zinc/10/02/85/1064100285.db2.gz VQNVLCCSZUOLLQ-GOSISDBHSA-N 1 1 456.616 2.706 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296040387 1064100293 /nfs/dbraw/zinc/10/02/93/1064100293.db2.gz UVBGNNWUWMFPQG-MRXNPFEDSA-N 1 1 476.423 2.511 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296043676 1064102710 /nfs/dbraw/zinc/10/27/10/1064102710.db2.gz WZQCVPIRCVZZMZ-HXUWFJFHSA-N 1 1 464.618 2.681 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001296044265 1064103677 /nfs/dbraw/zinc/10/36/77/1064103677.db2.gz BQLRJUGHMCDYLU-CTNGQTDRSA-N 1 1 485.633 2.960 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001296044708 1064104164 /nfs/dbraw/zinc/10/41/64/1064104164.db2.gz FRLBMEDNHNRROJ-XUVXKRRUSA-N 1 1 490.649 2.734 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCSC[C@H]2C)C1 ZINC001296044790 1064105216 /nfs/dbraw/zinc/10/52/16/1064105216.db2.gz GIZHJQIKPVSOCE-QYZOEREBSA-N 1 1 480.679 2.870 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296045030 1064105422 /nfs/dbraw/zinc/10/54/22/1064105422.db2.gz ILXZAQXOGCEPLC-ZWKOTPCHSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(Br)cc2)C1 ZINC001296046437 1064106183 /nfs/dbraw/zinc/10/61/83/1064106183.db2.gz OOEVWWAQMVCGAD-MSOLQXFVSA-N 1 1 496.475 2.921 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001296048548 1064107844 /nfs/dbraw/zinc/10/78/44/1064107844.db2.gz XFCQHDDDWQJCAL-JAXLGGSGSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC001296048667 1064108404 /nfs/dbraw/zinc/10/84/04/1064108404.db2.gz XZHAMSFDHXAYLW-SLFFLAALSA-N 1 1 462.639 2.817 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296048991 1064108779 /nfs/dbraw/zinc/10/87/79/1064108779.db2.gz FREKCMSMHIMYHB-JOCHJYFZSA-N 1 1 468.646 2.718 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001296049287 1064109257 /nfs/dbraw/zinc/10/92/57/1064109257.db2.gz HQBHYHUVTBLQLX-NRFANRHFSA-N 1 1 454.619 2.519 20 0 JFADMO CCN(C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1)S(C)(=O)=O ZINC001296049023 1064109268 /nfs/dbraw/zinc/10/92/68/1064109268.db2.gz GBJXJXBIOPBBNR-HXUWFJFHSA-N 1 1 466.696 2.603 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296049803 1064109505 /nfs/dbraw/zinc/10/95/05/1064109505.db2.gz LZJIUTOYKITFPZ-HXUWFJFHSA-N 1 1 475.659 2.645 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296050786 1064110873 /nfs/dbraw/zinc/11/08/73/1064110873.db2.gz VDVVWOOBUYXWAR-WMZOPIPTSA-N 1 1 482.526 2.855 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001296050827 1064110902 /nfs/dbraw/zinc/11/09/02/1064110902.db2.gz APYMGGPFUZJXHI-FQEVSTJZSA-N 1 1 474.625 2.885 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CCC[NH+]1CCOCC1 ZINC001291581227 1064111142 /nfs/dbraw/zinc/11/11/42/1064111142.db2.gz VOUALNVAASELLA-GOSISDBHSA-N 1 1 476.572 2.755 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291581580 1064111541 /nfs/dbraw/zinc/11/15/41/1064111541.db2.gz QTFLWNOXVOXHDX-JTHBVZDNSA-N 1 1 468.646 2.991 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001291581575 1064111555 /nfs/dbraw/zinc/11/15/55/1064111555.db2.gz QTFLWNOXVOXHDX-FYYLOGMGSA-N 1 1 468.646 2.991 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001296051638 1064111811 /nfs/dbraw/zinc/11/18/11/1064111811.db2.gz HNKJOLVXBNISID-OAHLLOKOSA-N 1 1 477.038 2.635 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001296051726 1064112387 /nfs/dbraw/zinc/11/23/87/1064112387.db2.gz JSCRMAXXZZVHTM-UYAOXDASSA-N 1 1 493.077 2.907 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296051890 1064112410 /nfs/dbraw/zinc/11/24/10/1064112410.db2.gz KTQABPSETSWQDE-HXUWFJFHSA-N 1 1 456.591 2.704 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291582043 1064112811 /nfs/dbraw/zinc/11/28/11/1064112811.db2.gz SHESQSPHUDEUGI-UNMCSNQZSA-N 1 1 460.667 2.867 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c(CSc3ccccc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296052646 1064113926 /nfs/dbraw/zinc/11/39/26/1064113926.db2.gz TZBPNNNCTCIHGA-ROUUACIJSA-N 1 1 479.672 2.544 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001296052904 1064114434 /nfs/dbraw/zinc/11/44/34/1064114434.db2.gz VQVPSPTUBASISD-GOSISDBHSA-N 1 1 486.571 2.835 20 0 JFADMO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CC[N@@H+](CC)C2)CC1=O ZINC001296053487 1064114979 /nfs/dbraw/zinc/11/49/79/1064114979.db2.gz ZUECPBMHSOEUJS-NRFANRHFSA-N 1 1 454.619 2.874 20 0 JFADMO CC[N@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001296056756 1064118141 /nfs/dbraw/zinc/11/81/41/1064118141.db2.gz NSTUKLZUFZPMNN-JBACZVJFSA-N 1 1 457.623 2.894 20 0 JFADMO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CNC(C)=O)C2)C1 ZINC001296057014 1064118205 /nfs/dbraw/zinc/11/82/05/1064118205.db2.gz QRQWAXNIDPIBCB-DXBBTUNJSA-N 1 1 460.667 2.891 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296057406 1064119595 /nfs/dbraw/zinc/11/95/95/1064119595.db2.gz XULMUBIVJAGHQJ-FQEVSTJZSA-N 1 1 489.665 2.834 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296057407 1064119621 /nfs/dbraw/zinc/11/96/21/1064119621.db2.gz XULMUBIVJAGHQJ-HXUWFJFHSA-N 1 1 489.665 2.834 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291589326 1064121157 /nfs/dbraw/zinc/12/11/57/1064121157.db2.gz GMOUDAOCPJEIOI-UXHICEINSA-N 1 1 463.671 2.779 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001296058955 1064121475 /nfs/dbraw/zinc/12/14/75/1064121475.db2.gz FWADYXJDRRVIHW-HNAYVOBHSA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001296058956 1064121508 /nfs/dbraw/zinc/12/15/08/1064121508.db2.gz FWADYXJDRRVIHW-KXBFYZLASA-N 1 1 467.039 2.589 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccccc1OC ZINC001296059512 1064122610 /nfs/dbraw/zinc/12/26/10/1064122610.db2.gz HNNSENWHEHEGQM-QWFCFKBJSA-N 1 1 476.647 2.723 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1 ZINC001296059632 1064123053 /nfs/dbraw/zinc/12/30/53/1064123053.db2.gz HKMHRSQRIUCGKN-OAQYLSRUSA-N 1 1 475.659 2.822 20 0 JFADMO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296059899 1064123438 /nfs/dbraw/zinc/12/34/38/1064123438.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001296059899 1064123440 /nfs/dbraw/zinc/12/34/40/1064123440.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 1 1 472.634 2.604 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001296060211 1064124308 /nfs/dbraw/zinc/12/43/08/1064124308.db2.gz OTHUBNQWDUWWCI-NRFANRHFSA-N 1 1 474.053 2.729 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291590772 1064124701 /nfs/dbraw/zinc/12/47/01/1064124701.db2.gz UKBPRRWTMUSNAQ-LEWJYISDSA-N 1 1 461.655 2.630 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 ZINC001296060379 1064124828 /nfs/dbraw/zinc/12/48/28/1064124828.db2.gz MPYQDLJFUOZJQC-KSZLIROESA-N 1 1 497.065 2.684 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001296060448 1064125240 /nfs/dbraw/zinc/12/52/40/1064125240.db2.gz BEDJWJGDRAKITP-RTBURBONSA-N 1 1 479.622 2.599 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296061532 1064127168 /nfs/dbraw/zinc/12/71/68/1064127168.db2.gz LOEUZASPIFEFSU-GOSISDBHSA-N 1 1 456.501 2.573 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296061770 1064127217 /nfs/dbraw/zinc/12/72/17/1064127217.db2.gz QNMVUYQPTRWYJZ-GXRSIYKFSA-N 1 1 485.629 2.879 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291593218 1064128376 /nfs/dbraw/zinc/12/83/76/1064128376.db2.gz BCTSWKMGHWAPQQ-LRSLUSHPSA-N 1 1 473.710 2.949 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001296063523 1064129529 /nfs/dbraw/zinc/12/95/29/1064129529.db2.gz WNEUQKNELULBFV-QGZVFWFLSA-N 1 1 455.504 2.847 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001291594034 1064129967 /nfs/dbraw/zinc/12/99/67/1064129967.db2.gz VTLMVBUGEUCPRB-IPJJNNNSSA-N 1 1 453.635 2.623 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291594655 1064130795 /nfs/dbraw/zinc/13/07/95/1064130795.db2.gz IPSXJRRVDSQKDC-IPMKNSEASA-N 1 1 459.605 2.890 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296066245 1064131693 /nfs/dbraw/zinc/13/16/93/1064131693.db2.gz BPPGKNDDCYTCAX-IEBWSBKVSA-N 1 1 477.654 2.577 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001296066531 1064131951 /nfs/dbraw/zinc/13/19/51/1064131951.db2.gz CXMNMFOPODYVET-IAGOWNOFSA-N 1 1 478.544 2.960 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC001296066533 1064132035 /nfs/dbraw/zinc/13/20/35/1064132035.db2.gz CXMNMFOPODYVET-SJORKVTESA-N 1 1 478.544 2.960 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001296067702 1064132783 /nfs/dbraw/zinc/13/27/83/1064132783.db2.gz KPFDVQOLCISJKL-VQTJNVASSA-N 1 1 489.665 2.579 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291598299 1064133446 /nfs/dbraw/zinc/13/34/46/1064133446.db2.gz AIUWIEHRGXPRHK-ZJOUEHCJSA-N 1 1 474.654 2.723 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001296068397 1064134367 /nfs/dbraw/zinc/13/43/67/1064134367.db2.gz OKONSDNHLJFJAL-IRXDYDNUSA-N 1 1 463.570 2.833 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001296068629 1064134819 /nfs/dbraw/zinc/13/48/19/1064134819.db2.gz QKQOGKYANORMMX-CEWLAPEOSA-N 1 1 482.695 2.500 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001296068839 1064135223 /nfs/dbraw/zinc/13/52/23/1064135223.db2.gz SKPRIXGFXPMNRY-GUDVDZBRSA-N 1 1 475.638 2.549 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001296070633 1064135737 /nfs/dbraw/zinc/13/57/37/1064135737.db2.gz BZRNHNUYXKYYPU-YLJYHZDGSA-N 1 1 451.612 2.752 20 0 JFADMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1OCc1ccc(Br)s1 ZINC001296072761 1064137065 /nfs/dbraw/zinc/13/70/65/1064137065.db2.gz LBYFMFSNFOYKGS-IBGZPJMESA-N 1 1 455.374 2.895 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296072623 1064137191 /nfs/dbraw/zinc/13/71/91/1064137191.db2.gz DNBCTLMFJZSSAY-FYYLOGMGSA-N 1 1 489.686 2.960 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CCN1CCOCC1 ZINC001296074449 1064140447 /nfs/dbraw/zinc/14/04/47/1064140447.db2.gz NZAYDYUYBMXINS-QFIPXVFZSA-N 1 1 456.635 2.727 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001296074620 1064140937 /nfs/dbraw/zinc/14/09/37/1064140937.db2.gz LSQPWSFUWTXTGX-RBBKRZOGSA-N 1 1 483.661 2.947 20 0 JFADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296074906 1064142065 /nfs/dbraw/zinc/14/20/65/1064142065.db2.gz QQLMQAIGTFCHQX-KNQAVFIVSA-N 1 1 454.619 2.613 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001296075213 1064142753 /nfs/dbraw/zinc/14/27/53/1064142753.db2.gz NLZXXVZBSMLAAT-FQEVSTJZSA-N 1 1 469.634 2.626 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001296075709 1064143359 /nfs/dbraw/zinc/14/33/59/1064143359.db2.gz QLEVWUYIKMYERI-PMACEKPBSA-N 1 1 473.666 2.520 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001296075703 1064143433 /nfs/dbraw/zinc/14/34/33/1064143433.db2.gz QHUGAUMTRLCFGE-HLAWJBBLSA-N 1 1 489.665 2.638 20 0 JFADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@H](COC)C1 ZINC001296075885 1064143946 /nfs/dbraw/zinc/14/39/46/1064143946.db2.gz XZLZPOVVOCERSN-QUCCMNQESA-N 1 1 494.434 2.956 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001296079073 1064145545 /nfs/dbraw/zinc/14/55/45/1064145545.db2.gz BTJFISWDQCNALX-KNQAVFIVSA-N 1 1 459.639 2.994 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OC)C1 ZINC001296079167 1064146117 /nfs/dbraw/zinc/14/61/17/1064146117.db2.gz CMCZYRXCRKAXLA-VQTJNVASSA-N 1 1 461.010 2.961 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296080441 1064147624 /nfs/dbraw/zinc/14/76/24/1064147624.db2.gz LKFNRHPUJRIMBK-JOCHJYFZSA-N 1 1 453.635 2.838 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296080939 1064148300 /nfs/dbraw/zinc/14/83/00/1064148300.db2.gz OLGXZXZSSYWMNZ-DOTOQJQBSA-N 1 1 478.439 2.622 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001296081485 1064149794 /nfs/dbraw/zinc/14/97/94/1064149794.db2.gz UYTKKIZVAWVULI-IBGZPJMESA-N 1 1 467.039 2.555 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082048 1064149835 /nfs/dbraw/zinc/14/98/35/1064149835.db2.gz ZTUNJVACRADCHJ-UXHICEINSA-N 1 1 488.608 2.727 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001296083386 1064150908 /nfs/dbraw/zinc/15/09/08/1064150908.db2.gz FBISHDGAJIRBIT-KRWDZBQOSA-N 1 1 480.539 2.504 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC001296085263 1064153914 /nfs/dbraw/zinc/15/39/14/1064153914.db2.gz RQUAQXUBINYLSZ-YADHBBJMSA-N 1 1 475.659 2.850 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296085286 1064153928 /nfs/dbraw/zinc/15/39/28/1064153928.db2.gz SCPMSUPNPQPHJJ-FQEVSTJZSA-N 1 1 490.674 2.736 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296088881 1064158915 /nfs/dbraw/zinc/15/89/15/1064158915.db2.gz NCEXELVNSTXOEP-HKUYNNGSSA-N 1 1 457.575 2.836 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296088897 1064158977 /nfs/dbraw/zinc/15/89/77/1064158977.db2.gz NRLJQDCGXOQQQG-FQEVSTJZSA-N 1 1 470.618 2.894 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001296088940 1064159503 /nfs/dbraw/zinc/15/95/03/1064159503.db2.gz WBUXXTDVXROZCN-YLJYHZDGSA-N 1 1 467.586 2.969 20 0 JFADMO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088971 1064159517 /nfs/dbraw/zinc/15/95/17/1064159517.db2.gz WYTPSYBZRICYPC-MSOLQXFVSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088971 1064159522 /nfs/dbraw/zinc/15/95/22/1064159522.db2.gz WYTPSYBZRICYPC-MSOLQXFVSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088974 1064160162 /nfs/dbraw/zinc/16/01/62/1064160162.db2.gz WYTPSYBZRICYPC-ZWKOTPCHSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001296088974 1064160166 /nfs/dbraw/zinc/16/01/66/1064160166.db2.gz WYTPSYBZRICYPC-ZWKOTPCHSA-N 1 1 477.631 2.840 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001296090329 1064162054 /nfs/dbraw/zinc/16/20/54/1064162054.db2.gz VHGDUIQHNHQZQR-LJQANCHMSA-N 1 1 464.636 2.581 20 0 JFADMO CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296089856 1064162068 /nfs/dbraw/zinc/16/20/68/1064162068.db2.gz SOAQEAWBJKFPQK-WOJBJXKFSA-N 1 1 491.658 2.850 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621870 1064162305 /nfs/dbraw/zinc/16/23/05/1064162305.db2.gz PZDKPSHMYYMIIN-RTBURBONSA-N 1 1 454.619 2.823 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 ZINC001296090722 1064162513 /nfs/dbraw/zinc/16/25/13/1064162513.db2.gz WZKFCPSXGKTNRE-NRFANRHFSA-N 1 1 472.634 2.605 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296095236 1064167639 /nfs/dbraw/zinc/16/76/39/1064167639.db2.gz FGXWVSRHZNIDJG-BZSNNMDCSA-N 1 1 475.556 2.770 20 0 JFADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095279 1064168348 /nfs/dbraw/zinc/16/83/48/1064168348.db2.gz GFNYVBVLVVFQGS-YFVAEKQCSA-N 1 1 476.647 2.849 20 0 JFADMO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1=O ZINC001296096143 1064169668 /nfs/dbraw/zinc/16/96/68/1064169668.db2.gz MFSYILTUTPXKEV-QFIPXVFZSA-N 1 1 468.646 2.639 20 0 JFADMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296096065 1064169684 /nfs/dbraw/zinc/16/96/84/1064169684.db2.gz LITOCJFIWIBCCP-YUXAGFNASA-N 1 1 459.591 2.590 20 0 JFADMO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296101313 1064175641 /nfs/dbraw/zinc/17/56/41/1064175641.db2.gz PYLKJODACKRLFL-WOJBJXKFSA-N 1 1 488.608 2.584 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001291630260 1064175893 /nfs/dbraw/zinc/17/58/93/1064175893.db2.gz RYXCZEIZIAZPTM-LEWJYISDSA-N 1 1 459.683 2.799 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291631428 1064177797 /nfs/dbraw/zinc/17/77/97/1064177797.db2.gz VLXNLJLMOXPJPS-VXKWHMMOSA-N 1 1 461.699 2.902 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1CC1(O)CCOCC1 ZINC001291630949 1064177840 /nfs/dbraw/zinc/17/78/40/1064177840.db2.gz WGHOXQSQAMGAAF-LJQANCHMSA-N 1 1 473.618 2.673 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001291632508 1064181548 /nfs/dbraw/zinc/18/15/48/1064181548.db2.gz UJXDNFBYQMMNQI-YLJYHZDGSA-N 1 1 476.613 2.684 20 0 JFADMO CCN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC001296103546 1064181641 /nfs/dbraw/zinc/18/16/41/1064181641.db2.gz SRSOASBMACTIGB-OAQYLSRUSA-N 1 1 475.037 2.894 20 0 JFADMO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639695 1064188083 /nfs/dbraw/zinc/18/80/83/1064188083.db2.gz OCCZRUCMYACDPO-OALUTQOASA-N 1 1 476.588 2.949 20 0 JFADMO CC[C@@H](C)c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1ccc(N2CCOCC2)nc1 ZINC001291641445 1064190940 /nfs/dbraw/zinc/19/09/40/1064190940.db2.gz CJLPERSPVWRMIX-OAQYLSRUSA-N 1 1 471.650 2.619 20 0 JFADMO CCN1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296113187 1064195073 /nfs/dbraw/zinc/19/50/73/1064195073.db2.gz QDCVPIOAJJPWKI-OAQYLSRUSA-N 1 1 453.635 2.835 20 0 JFADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cc4cccnc4)n3CCCSC)CC2)CC1 ZINC001296118622 1064201343 /nfs/dbraw/zinc/20/13/43/1064201343.db2.gz FWKACQMJVBANKF-UHFFFAOYSA-N 1 1 485.702 2.788 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651287 1064204702 /nfs/dbraw/zinc/20/47/02/1064204702.db2.gz XISIHYWITBDPHL-GBESFXJTSA-N 1 1 450.628 2.815 20 0 JFADMO CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001291651287 1064204711 /nfs/dbraw/zinc/20/47/11/1064204711.db2.gz XISIHYWITBDPHL-GBESFXJTSA-N 1 1 450.628 2.815 20 0 JFADMO C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)s1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001291658869 1064208136 /nfs/dbraw/zinc/20/81/36/1064208136.db2.gz NGSNBMXWUIKKOG-QGZVFWFLSA-N 1 1 456.612 2.644 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120248 1064209055 /nfs/dbraw/zinc/20/90/55/1064209055.db2.gz GUPZWNSZTZVUTG-GOSISDBHSA-N 1 1 472.613 2.542 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291665843 1064210406 /nfs/dbraw/zinc/21/04/06/1064210406.db2.gz ADEHVQQZGKQQAL-MSOLQXFVSA-N 1 1 461.611 2.987 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291665843 1064210411 /nfs/dbraw/zinc/21/04/11/1064210411.db2.gz ADEHVQQZGKQQAL-MSOLQXFVSA-N 1 1 461.611 2.987 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120554 1064210548 /nfs/dbraw/zinc/21/05/48/1064210548.db2.gz JLEBYOQEMYQGTA-FGZHOGPDSA-N 1 1 467.662 2.917 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120556 1064210567 /nfs/dbraw/zinc/21/05/67/1064210567.db2.gz JLEBYOQEMYQGTA-YADHBBJMSA-N 1 1 467.662 2.917 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291666203 1064210892 /nfs/dbraw/zinc/21/08/92/1064210892.db2.gz AXHBEIRGUMRQKM-MOPGFXCFSA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291666203 1064210901 /nfs/dbraw/zinc/21/09/01/1064210901.db2.gz AXHBEIRGUMRQKM-MOPGFXCFSA-N 1 1 480.654 2.632 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291666811 1064211559 /nfs/dbraw/zinc/21/15/59/1064211559.db2.gz FAPFJKCQQMMGJF-BMFAXAFESA-N 1 1 461.611 2.949 20 0 JFADMO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)[NH+]1CCN(CC)CC1)C(C)C ZINC001296121343 1064212731 /nfs/dbraw/zinc/21/27/31/1064212731.db2.gz NYFXSPZHPSNMND-IBGZPJMESA-N 1 1 490.722 2.807 20 0 JFADMO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001291669991 1064212834 /nfs/dbraw/zinc/21/28/34/1064212834.db2.gz NDIKMFUQZPHRBO-ZCNNSNEGSA-N 1 1 474.654 2.902 20 0 JFADMO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001291672346 1064214040 /nfs/dbraw/zinc/21/40/40/1064214040.db2.gz QCEZFUGHMUQADB-RTWAWAEBSA-N 1 1 493.697 2.549 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122592 1064215066 /nfs/dbraw/zinc/21/50/66/1064215066.db2.gz YHAJCRUMYALTCD-NRFANRHFSA-N 1 1 470.662 2.969 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122601 1064215396 /nfs/dbraw/zinc/21/53/96/1064215396.db2.gz YKHDTFYQEAKWAH-OAQYLSRUSA-N 1 1 459.683 2.656 20 0 JFADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cnnn1-c1ccccc1Br ZINC001291679194 1064216334 /nfs/dbraw/zinc/21/63/34/1064216334.db2.gz YKWQCUDGHFBBSY-UHFFFAOYSA-N 1 1 456.344 2.792 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124152 1064216746 /nfs/dbraw/zinc/21/67/46/1064216746.db2.gz FPPCLNXUPGSWED-KRWDZBQOSA-N 1 1 480.032 2.724 20 0 JFADMO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291680825 1064216804 /nfs/dbraw/zinc/21/68/04/1064216804.db2.gz HUTRITYCAXLKBI-IBGZPJMESA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291680825 1064216811 /nfs/dbraw/zinc/21/68/11/1064216811.db2.gz HUTRITYCAXLKBI-IBGZPJMESA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291680825 1064216822 /nfs/dbraw/zinc/21/68/22/1064216822.db2.gz HUTRITYCAXLKBI-IBGZPJMESA-N 1 1 450.697 2.920 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124344 1064217070 /nfs/dbraw/zinc/21/70/70/1064217070.db2.gz GXUIYTIBGPDURG-OALUTQOASA-N 1 1 474.675 2.930 20 0 JFADMO CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001291686899 1064217488 /nfs/dbraw/zinc/21/74/88/1064217488.db2.gz VIMBCEASXXZTBH-DEOSSOPVSA-N 1 1 457.663 2.778 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125200 1064218352 /nfs/dbraw/zinc/21/83/52/1064218352.db2.gz LIGBTGHDQMYMOH-GOSISDBHSA-N 1 1 462.042 2.587 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125556 1064219339 /nfs/dbraw/zinc/21/93/39/1064219339.db2.gz MOBMYPYUIVTBSM-OAQYLSRUSA-N 1 1 492.672 2.728 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126027 1064220122 /nfs/dbraw/zinc/22/01/22/1064220122.db2.gz OQZOFFSVCSEMNL-SFHVURJKSA-N 1 1 483.617 2.921 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126457 1064220526 /nfs/dbraw/zinc/22/05/26/1064220526.db2.gz QHRWTYSHVMHQPH-RTBURBONSA-N 1 1 467.618 2.536 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126463 1064220793 /nfs/dbraw/zinc/22/07/93/1064220793.db2.gz QKPMUZBDWAGCID-OALUTQOASA-N 1 1 462.042 2.882 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296126923 1064221208 /nfs/dbraw/zinc/22/12/08/1064221208.db2.gz SUXACTXFDHIYRA-FQEVSTJZSA-N 1 1 486.661 2.851 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127246 1064221686 /nfs/dbraw/zinc/22/16/86/1064221686.db2.gz UJBIDJHUSOAUMY-RBKXMNCYSA-N 1 1 497.688 2.863 20 0 JFADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)COc2ccccc2)c1 ZINC001291708654 1064223643 /nfs/dbraw/zinc/22/36/43/1064223643.db2.gz COPKCWXSYLVLMM-QGZVFWFLSA-N 1 1 456.518 2.772 20 0 JFADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CNC(=O)COc2ccccc2)c1 ZINC001291708654 1064223652 /nfs/dbraw/zinc/22/36/52/1064223652.db2.gz COPKCWXSYLVLMM-QGZVFWFLSA-N 1 1 456.518 2.772 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296130993 1064224525 /nfs/dbraw/zinc/22/45/25/1064224525.db2.gz HOFWLIZMYAADSC-IBGZPJMESA-N 1 1 496.050 2.935 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131320 1064225417 /nfs/dbraw/zinc/22/54/17/1064225417.db2.gz JNPOBYKEGUWKNI-OAQYLSRUSA-N 1 1 465.650 2.720 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC=C(COC)CC2)CC1 ZINC001296131749 1064226425 /nfs/dbraw/zinc/22/64/25/1064226425.db2.gz MSMGVQAMZNXGPN-NRFANRHFSA-N 1 1 468.646 2.686 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296131800 1064227384 /nfs/dbraw/zinc/22/73/84/1064227384.db2.gz NKZGRKZVXNHHRN-UYAOXDASSA-N 1 1 461.680 2.523 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001291723646 1064229409 /nfs/dbraw/zinc/22/94/09/1064229409.db2.gz XVLIXGHIKSYJNM-HBMCJLEFSA-N 1 1 494.681 2.916 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132346 1064229754 /nfs/dbraw/zinc/22/97/54/1064229754.db2.gz SMXPGNKXZKPYRG-CPJSRVTESA-N 1 1 462.683 2.667 20 0 JFADMO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291732297 1064230665 /nfs/dbraw/zinc/23/06/65/1064230665.db2.gz IRYAUOMTYBLUFD-STSQHVNTSA-N 1 1 450.628 2.899 20 0 JFADMO CC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001291732294 1064230754 /nfs/dbraw/zinc/23/07/54/1064230754.db2.gz IRYAUOMTYBLUFD-BSRJHKFKSA-N 1 1 450.628 2.899 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296133212 1064233133 /nfs/dbraw/zinc/23/31/33/1064233133.db2.gz GZPAFSWLVZTYFG-UXHICEINSA-N 1 1 491.681 2.601 20 0 JFADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001296133274 1064233194 /nfs/dbraw/zinc/23/31/94/1064233194.db2.gz YYMUWRGOLRLBKQ-QFIPXVFZSA-N 1 1 495.716 2.916 20 0 JFADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296133932 1064235002 /nfs/dbraw/zinc/23/50/02/1064235002.db2.gz LKDCYHHTYKGXIK-HXUWFJFHSA-N 1 1 457.667 2.609 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001291758808 1064238847 /nfs/dbraw/zinc/23/88/47/1064238847.db2.gz BJLMRNDPUKNVQT-IBGZPJMESA-N 1 1 480.617 2.809 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001291758809 1064238908 /nfs/dbraw/zinc/23/89/08/1064238908.db2.gz BJLMRNDPUKNVQT-LJQANCHMSA-N 1 1 480.617 2.809 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001291759746 1064240038 /nfs/dbraw/zinc/24/00/38/1064240038.db2.gz HYAGZSFUHGCORE-RVKKMQEKSA-N 1 1 478.439 2.823 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291759732 1064240177 /nfs/dbraw/zinc/24/01/77/1064240177.db2.gz HVPCFYCQCTXDJD-QZTJIDSGSA-N 1 1 450.591 2.732 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001291759873 1064240543 /nfs/dbraw/zinc/24/05/43/1064240543.db2.gz LQDGHQYGTGFLAP-LJQANCHMSA-N 1 1 469.634 2.545 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760016 1064241293 /nfs/dbraw/zinc/24/12/93/1064241293.db2.gz MODWPKMMEPFDMR-VQTJNVASSA-N 1 1 484.649 2.705 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291760042 1064241382 /nfs/dbraw/zinc/24/13/82/1064241382.db2.gz NANNMFQDDTYZIG-OKZBNKHCSA-N 1 1 460.554 2.928 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241853 /nfs/dbraw/zinc/24/18/53/1064241853.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 1 1 467.662 2.511 20 0 JFADMO CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241856 /nfs/dbraw/zinc/24/18/56/1064241856.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 1 1 467.662 2.511 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291760310 1064241857 /nfs/dbraw/zinc/24/18/57/1064241857.db2.gz PMCVULJCHIMZAY-OKZBNKHCSA-N 1 1 477.679 2.891 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001291760869 1064242268 /nfs/dbraw/zinc/24/22/68/1064242268.db2.gz OGZCCOBQANBVND-WFXMLNOXSA-N 1 1 463.648 2.940 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291763458 1064244258 /nfs/dbraw/zinc/24/42/58/1064244258.db2.gz XCXMROSIUANGQR-VBKZILBWSA-N 1 1 466.428 2.728 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765329 1064245825 /nfs/dbraw/zinc/24/58/25/1064245825.db2.gz LAPLMFHGBUMHOD-FCHUYYIVSA-N 1 1 497.688 2.817 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296140995 1064246696 /nfs/dbraw/zinc/24/66/96/1064246696.db2.gz BCHROJLSJNTPLJ-HNNXBMFYSA-N 1 1 471.512 2.619 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001291765576 1064246844 /nfs/dbraw/zinc/24/68/44/1064246844.db2.gz NAGDMFAHOBMKJO-UZLBHIALSA-N 1 1 455.563 2.953 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291765881 1064247247 /nfs/dbraw/zinc/24/72/47/1064247247.db2.gz QZAZVPLUGDOZAH-RBUKOAKNSA-N 1 1 462.042 2.882 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001296141881 1064247942 /nfs/dbraw/zinc/24/79/42/1064247942.db2.gz BNCUZHNZMMTVNV-IBGZPJMESA-N 1 1 455.607 2.546 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H](OC)C2CC2)C[C@@H]1C ZINC001296142181 1064248482 /nfs/dbraw/zinc/24/84/82/1064248482.db2.gz KIKGBFIRAZPDGJ-HRAATJIYSA-N 1 1 459.591 2.926 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766808 1064248538 /nfs/dbraw/zinc/24/85/38/1064248538.db2.gz YXTRUOQZUVJUKN-MRXNPFEDSA-N 1 1 484.070 2.584 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001296143119 1064250547 /nfs/dbraw/zinc/25/05/47/1064250547.db2.gz FYYJXPXJPJWZQX-ICSRJNTNSA-N 1 1 478.663 2.505 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291768517 1064250752 /nfs/dbraw/zinc/25/07/52/1064250752.db2.gz XAVPFOWRLAXUNZ-WOJBJXKFSA-N 1 1 499.685 2.989 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@H]1C ZINC001296143062 1064251435 /nfs/dbraw/zinc/25/14/35/1064251435.db2.gz OZHJGQODKVZZPI-XLPFRCPJSA-N 1 1 489.686 2.776 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC001296143410 1064252433 /nfs/dbraw/zinc/25/24/33/1064252433.db2.gz PZMXAPBEEVPJDN-OALUTQOASA-N 1 1 459.591 2.546 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296143387 1064252528 /nfs/dbraw/zinc/25/25/28/1064252528.db2.gz PSNUFOJDCBXGMB-MJGOQNOKSA-N 1 1 477.679 2.748 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](CCOC)C1 ZINC001291771154 1064253043 /nfs/dbraw/zinc/25/30/43/1064253043.db2.gz CLOPHXJZCZGQKH-RBUKOAKNSA-N 1 1 467.618 2.785 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](CCOC)C1 ZINC001291771158 1064253067 /nfs/dbraw/zinc/25/30/67/1064253067.db2.gz CLOPHXJZCZGQKH-RTBURBONSA-N 1 1 467.618 2.785 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2OC)C[C@H]1C ZINC001296144453 1064253369 /nfs/dbraw/zinc/25/33/69/1064253369.db2.gz VBOVIJSJYYABPC-CLOONOSVSA-N 1 1 473.618 2.915 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001291771267 1064253467 /nfs/dbraw/zinc/25/34/67/1064253467.db2.gz HLYRJKKYTURGIK-RDJZCZTQSA-N 1 1 453.513 2.575 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001291771516 1064254382 /nfs/dbraw/zinc/25/43/82/1064254382.db2.gz IYFPTISLNSITAR-NRFANRHFSA-N 1 1 461.614 2.962 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C[C@H]1C ZINC001296144853 1064254455 /nfs/dbraw/zinc/25/44/55/1064254455.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 1 1 465.440 2.816 20 0 JFADMO CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C[C@H]1C ZINC001296144853 1064254457 /nfs/dbraw/zinc/25/44/57/1064254457.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 1 1 465.440 2.816 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001291771539 1064254647 /nfs/dbraw/zinc/25/46/47/1064254647.db2.gz GRANAJPVGDUGEM-GBESFXJTSA-N 1 1 470.622 2.769 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254982 /nfs/dbraw/zinc/25/49/82/1064254982.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 1 1 468.650 2.968 20 0 JFADMO CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254989 /nfs/dbraw/zinc/25/49/89/1064254989.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 1 1 468.650 2.968 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1 ZINC001291772111 1064255063 /nfs/dbraw/zinc/25/50/63/1064255063.db2.gz MKWKPDKAWPNVTK-INIZCTEOSA-N 1 1 467.574 2.714 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291772330 1064255478 /nfs/dbraw/zinc/25/54/78/1064255478.db2.gz OEMJBXHCOXMSOJ-GBESFXJTSA-N 1 1 477.654 2.795 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001291772826 1064256287 /nfs/dbraw/zinc/25/62/87/1064256287.db2.gz CPSVCJITDIZBCS-QZTJIDSGSA-N 1 1 496.628 2.515 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296145881 1064256532 /nfs/dbraw/zinc/25/65/32/1064256532.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 1 1 477.451 2.613 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296145881 1064256539 /nfs/dbraw/zinc/25/65/39/1064256539.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 1 1 477.451 2.613 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001296146320 1064256728 /nfs/dbraw/zinc/25/67/28/1064256728.db2.gz NTEMSTPKHRGNSU-FXAWDEMLSA-N 1 1 467.549 2.983 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H]2CCCCO2)C[C@@H]1C ZINC001296146255 1064256788 /nfs/dbraw/zinc/25/67/88/1064256788.db2.gz JQGJIMWZTSUPGJ-ICSRJNTNSA-N 1 1 461.632 2.838 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001291772957 1064257245 /nfs/dbraw/zinc/25/72/45/1064257245.db2.gz CUTHSZBVLGXCGH-QSRFUDQGSA-N 1 1 480.723 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001296146330 1064257370 /nfs/dbraw/zinc/25/73/70/1064257370.db2.gz NTEMSTPKHRGNSU-YLJYHZDGSA-N 1 1 467.549 2.983 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001291772998 1064257486 /nfs/dbraw/zinc/25/74/86/1064257486.db2.gz DFPXTBPPPRBUCV-IRLDBZIGSA-N 1 1 480.723 2.613 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257933 /nfs/dbraw/zinc/25/79/33/1064257933.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257943 /nfs/dbraw/zinc/25/79/43/1064257943.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 1 1 474.675 2.611 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@@H]1C ZINC001296147227 1064258458 /nfs/dbraw/zinc/25/84/58/1064258458.db2.gz RPTVBWNNXMZDQO-INDMIFKZSA-N 1 1 484.711 2.649 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773416 1064258491 /nfs/dbraw/zinc/25/84/91/1064258491.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 1 1 488.702 2.623 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064259016 /nfs/dbraw/zinc/25/90/16/1064259016.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 1 1 482.681 2.662 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064259022 /nfs/dbraw/zinc/25/90/22/1064259022.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 1 1 482.681 2.662 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001291773646 1064259420 /nfs/dbraw/zinc/25/94/20/1064259420.db2.gz ILTGHKZLJCXIGX-ONTIZHBOSA-N 1 1 475.659 2.797 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291773779 1064260205 /nfs/dbraw/zinc/26/02/05/1064260205.db2.gz JSWRATVPAPKENV-AZUAARDMSA-N 1 1 458.582 2.614 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](Cc2ccccc2)OC)C[C@@H]1C ZINC001296148546 1064260285 /nfs/dbraw/zinc/26/02/85/1064260285.db2.gz XSGFMQCRQDQUSR-PZJWPPBQSA-N 1 1 463.586 2.714 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@H]1C ZINC001296148540 1064260397 /nfs/dbraw/zinc/26/03/97/1064260397.db2.gz XRHIRNZGLFXGEQ-ZBFHGGJFSA-N 1 1 478.594 2.661 20 0 JFADMO CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774047 1064260778 /nfs/dbraw/zinc/26/07/78/1064260778.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 1 1 475.726 2.897 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291774047 1064260783 /nfs/dbraw/zinc/26/07/83/1064260783.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 1 1 475.726 2.897 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260842 /nfs/dbraw/zinc/26/08/42/1064260842.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 1 1 486.661 2.994 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260851 /nfs/dbraw/zinc/26/08/51/1064260851.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 1 1 486.661 2.994 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCOC1 ZINC001291773902 1064261403 /nfs/dbraw/zinc/26/14/03/1064261403.db2.gz WBIRHSVKTFAKGO-RBUKOAKNSA-N 1 1 477.679 2.831 20 0 JFADMO CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261437 /nfs/dbraw/zinc/26/14/37/1064261437.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 1 1 451.619 2.992 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261443 /nfs/dbraw/zinc/26/14/43/1064261443.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 1 1 451.619 2.992 20 0 JFADMO CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261451 /nfs/dbraw/zinc/26/14/51/1064261451.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 1 1 451.619 2.992 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(CC)C1 ZINC001291774043 1064261639 /nfs/dbraw/zinc/26/16/39/1064261639.db2.gz XDHWTKGFGHTZCF-CJAUYULYSA-N 1 1 467.618 2.928 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@H]1C ZINC001296149571 1064261888 /nfs/dbraw/zinc/26/18/88/1064261888.db2.gz JYTMCTRVNCFUSC-QGZVFWFLSA-N 1 1 452.559 2.945 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001296149780 1064262028 /nfs/dbraw/zinc/26/20/28/1064262028.db2.gz KKLBBJCCUIJDGV-OYHNWAKOSA-N 1 1 491.434 2.725 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001291774440 1064262518 /nfs/dbraw/zinc/26/25/18/1064262518.db2.gz NFTSATCEHWATDV-UNMCSNQZSA-N 1 1 456.635 2.985 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001291774491 1064262996 /nfs/dbraw/zinc/26/29/96/1064262996.db2.gz OKZBSXPBKPSIKA-DFQSSKMNSA-N 1 1 496.703 2.744 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775241 1064263949 /nfs/dbraw/zinc/26/39/49/1064263949.db2.gz VRVYZQMPVUJYOT-QUCCMNQESA-N 1 1 463.648 2.864 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)ccc1F ZINC001291775339 1064263992 /nfs/dbraw/zinc/26/39/92/1064263992.db2.gz WIFFHQFKDKQGBO-QZTJIDSGSA-N 1 1 451.612 2.994 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001291775367 1064264404 /nfs/dbraw/zinc/26/44/04/1064264404.db2.gz WMKOOOQNVMNNDV-IFMALSPDSA-N 1 1 486.636 2.933 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC001296154439 1064265006 /nfs/dbraw/zinc/26/50/06/1064265006.db2.gz FLSGLURCUCLIPT-BCHFMIIMSA-N 1 1 481.645 2.910 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001296154470 1064265544 /nfs/dbraw/zinc/26/55/44/1064265544.db2.gz FWCRCAUSZHTXJM-PBHICJAKSA-N 1 1 452.481 2.707 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291777059 1064265789 /nfs/dbraw/zinc/26/57/89/1064265789.db2.gz BMYBAEFHLLGYAH-QFIPXVFZSA-N 1 1 499.679 2.873 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778127 1064265829 /nfs/dbraw/zinc/26/58/29/1064265829.db2.gz HUGUSDBIBKSGAG-PMACEKPBSA-N 1 1 492.665 2.934 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@H]1C ZINC001296154964 1064266548 /nfs/dbraw/zinc/26/65/48/1064266548.db2.gz LTJMWVLCGQUQGL-APWZRJJASA-N 1 1 480.535 2.887 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291778706 1064266833 /nfs/dbraw/zinc/26/68/33/1064266833.db2.gz KUOITKPNVCPEKE-GOSISDBHSA-N 1 1 480.654 2.599 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291780630 1064267785 /nfs/dbraw/zinc/26/77/85/1064267785.db2.gz AFZAQORNMZEJHL-KRWDZBQOSA-N 1 1 468.693 2.521 20 0 JFADMO CC[N@@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001296155875 1064268569 /nfs/dbraw/zinc/26/85/69/1064268569.db2.gz SEPCMYXIHYBQIG-RCUPCANXSA-N 1 1 471.631 2.672 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[S@@](=O)C(C)(C)C)C[C@H]1C ZINC001296155875 1064268575 /nfs/dbraw/zinc/26/85/75/1064268575.db2.gz SEPCMYXIHYBQIG-RCUPCANXSA-N 1 1 471.631 2.672 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156075 1064268652 /nfs/dbraw/zinc/26/86/52/1064268652.db2.gz SPDSKTOIPVDNEG-JXFKEZNVSA-N 1 1 458.561 2.790 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156085 1064268719 /nfs/dbraw/zinc/26/87/19/1064268719.db2.gz SPDSKTOIPVDNEG-OXJNMPFZSA-N 1 1 458.561 2.790 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOC)C[C@@H]1C ZINC001296156985 1064269310 /nfs/dbraw/zinc/26/93/10/1064269310.db2.gz WLGZHYPDNDWSMN-SFHVURJKSA-N 1 1 453.591 2.803 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001291782026 1064269552 /nfs/dbraw/zinc/26/95/52/1064269552.db2.gz LJHGSTIRWRYZPB-IFMALSPDSA-N 1 1 453.635 2.740 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001291782150 1064270158 /nfs/dbraw/zinc/27/01/58/1064270158.db2.gz LUCCAPZUCDQHAX-KBMIEXCESA-N 1 1 454.619 2.519 20 0 JFADMO CC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001296157512 1064270577 /nfs/dbraw/zinc/27/05/77/1064270577.db2.gz YLULYFBNZWCFHO-GOSISDBHSA-N 1 1 468.606 2.833 20 0 JFADMO CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296157845 1064271296 /nfs/dbraw/zinc/27/12/96/1064271296.db2.gz FYBILXFYIXGGCR-TZIWHRDSSA-N 1 1 456.639 2.654 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291782519 1064271612 /nfs/dbraw/zinc/27/16/12/1064271612.db2.gz PTWSHVNSIOEIBS-BDTNDASRSA-N 1 1 473.710 2.587 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291782594 1064272741 /nfs/dbraw/zinc/27/27/41/1064272741.db2.gz QRUOXJYNIPTCCE-LJQANCHMSA-N 1 1 470.618 2.881 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001291782601 1064272950 /nfs/dbraw/zinc/27/29/50/1064272950.db2.gz QTRKDFAOMXEFKU-GOSISDBHSA-N 1 1 482.658 2.722 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001291783057 1064274548 /nfs/dbraw/zinc/27/45/48/1064274548.db2.gz IBDHJTAQNZSCKP-OALUTQOASA-N 1 1 458.582 2.928 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291782956 1064274564 /nfs/dbraw/zinc/27/45/64/1064274564.db2.gz WAZSPZDXYFILIB-GPXNEJASSA-N 1 1 454.663 2.951 20 0 JFADMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001291783056 1064274714 /nfs/dbraw/zinc/27/47/14/1064274714.db2.gz IBDHJTAQNZSCKP-MOPGFXCFSA-N 1 1 458.582 2.928 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296160722 1064274717 /nfs/dbraw/zinc/27/47/17/1064274717.db2.gz HNOPQQQEASKXLV-IBGZPJMESA-N 1 1 454.619 2.857 20 0 JFADMO CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160808 1064275081 /nfs/dbraw/zinc/27/50/81/1064275081.db2.gz PMHJJDXILVICBZ-SLFFLAALSA-N 1 1 463.671 2.873 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001296163714 1064279652 /nfs/dbraw/zinc/27/96/52/1064279652.db2.gz YGYCWIZAMWSVGR-AQNXPRMDSA-N 1 1 476.622 2.810 20 0 JFADMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001296163882 1064279977 /nfs/dbraw/zinc/27/99/77/1064279977.db2.gz ZBFPKJYHZWTMDO-GUDVDZBRSA-N 1 1 450.628 2.958 20 0 JFADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296164678 1064281571 /nfs/dbraw/zinc/28/15/71/1064281571.db2.gz ARDLNIVBKIVEAA-HXUWFJFHSA-N 1 1 450.587 2.751 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164735 1064282205 /nfs/dbraw/zinc/28/22/05/1064282205.db2.gz BNHYMCPODQFRBH-FXAWDEMLSA-N 1 1 474.654 2.831 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291786280 1064282803 /nfs/dbraw/zinc/28/28/03/1064282803.db2.gz RZXZHKKVYMSLOS-NBGIEHNGSA-N 1 1 478.682 2.744 20 0 JFADMO CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001291786219 1064282933 /nfs/dbraw/zinc/28/29/33/1064282933.db2.gz ZEVVWAAJZBDROT-OTWHNJEPSA-N 1 1 460.648 2.863 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC001296164845 1064283132 /nfs/dbraw/zinc/28/31/32/1064283132.db2.gz DXUFKWPJQGNOEB-KRWDZBQOSA-N 1 1 480.535 2.920 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296165397 1064284916 /nfs/dbraw/zinc/28/49/16/1064284916.db2.gz ISALREGYPKPTAE-XLIONFOSSA-N 1 1 475.588 2.512 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788484 1064285303 /nfs/dbraw/zinc/28/53/03/1064285303.db2.gz HVRPJPNBYBFRAM-UONOGXRCSA-N 1 1 455.349 2.673 20 0 JFADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cc3c(cc2Br)OCCO3)C1 ZINC001291788484 1064285311 /nfs/dbraw/zinc/28/53/11/1064285311.db2.gz HVRPJPNBYBFRAM-UONOGXRCSA-N 1 1 455.349 2.673 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296165855 1064285438 /nfs/dbraw/zinc/28/54/38/1064285438.db2.gz BHXYVAANFRTOPQ-LADGPHEKSA-N 1 1 454.663 2.951 20 0 JFADMO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001296167710 1064290574 /nfs/dbraw/zinc/29/05/74/1064290574.db2.gz IIWUOYUGYQGXQA-INIZCTEOSA-N 1 1 461.636 2.643 20 0 JFADMO CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001296167489 1064290654 /nfs/dbraw/zinc/29/06/54/1064290654.db2.gz UDBARFLEXCZQIC-ZDUSSCGKSA-N 1 1 454.472 2.536 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)CC1 ZINC001296173683 1064297013 /nfs/dbraw/zinc/29/70/13/1064297013.db2.gz JXBFEBMTOYUVOZ-LJQANCHMSA-N 1 1 463.577 2.705 20 0 JFADMO CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001296173753 1064298734 /nfs/dbraw/zinc/29/87/34/1064298734.db2.gz LOLGXZLEFADZSQ-NRFANRHFSA-N 1 1 486.661 2.631 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296174170 1064301173 /nfs/dbraw/zinc/30/11/73/1064301173.db2.gz PFCMTIXYJNPTTP-CVOKININSA-N 1 1 461.582 2.579 20 0 JFADMO CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001296174710 1064301668 /nfs/dbraw/zinc/30/16/68/1064301668.db2.gz SEEGRBCUUTZPTC-VJBMBRPKSA-N 1 1 456.635 2.642 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304286 /nfs/dbraw/zinc/30/42/86/1064304286.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 1 1 491.681 2.601 20 0 JFADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304701 /nfs/dbraw/zinc/30/47/01/1064304701.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 1 1 491.681 2.601 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291796652 1064305675 /nfs/dbraw/zinc/30/56/75/1064305675.db2.gz LJEDENJXUKPNCD-UYAOXDASSA-N 1 1 470.618 2.942 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178561 1064305970 /nfs/dbraw/zinc/30/59/70/1064305970.db2.gz AOCDSNANBWXPQW-IBGZPJMESA-N 1 1 461.680 2.734 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4OC)n3CCC(C)(C)O)C2)CC1 ZINC001296180080 1064310351 /nfs/dbraw/zinc/31/03/51/1064310351.db2.gz LDDAMDSCKHUBAT-IBGZPJMESA-N 1 1 477.053 2.984 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296180750 1064312990 /nfs/dbraw/zinc/31/29/90/1064312990.db2.gz QSYZCNBJKBRJBM-OAQYLSRUSA-N 1 1 456.635 2.721 20 0 JFADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180746 1064313085 /nfs/dbraw/zinc/31/30/85/1064313085.db2.gz QSKUEZKPDGECHH-XXBNENTESA-N 1 1 462.042 2.617 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291803271 1064315802 /nfs/dbraw/zinc/31/58/02/1064315802.db2.gz JXQMHNVUEXONLZ-GOSISDBHSA-N 1 1 468.606 2.597 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cc(C)ccc4C)n3C[C@@H](C)OC)C2)CC1 ZINC001296181668 1064316905 /nfs/dbraw/zinc/31/69/05/1064316905.db2.gz AWJKVVQILYCLOZ-YADHBBJMSA-N 1 1 456.635 2.725 20 0 JFADMO CCN(CC)C(=O)CCCn1c(-c2ccccc2F)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001296181755 1064317915 /nfs/dbraw/zinc/31/79/15/1064317915.db2.gz ZXNSFSHAYMAXDX-NRFANRHFSA-N 1 1 485.652 2.949 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181893 1064319415 /nfs/dbraw/zinc/31/94/15/1064319415.db2.gz GPELFECPYIOFKJ-IBGZPJMESA-N 1 1 499.651 2.853 20 0 JFADMO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182225 1064321952 /nfs/dbraw/zinc/32/19/52/1064321952.db2.gz PLFZZSQXOPTBRE-DHIUTWEWSA-N 1 1 461.699 2.855 20 0 JFADMO CCN1CCN(C2CCN(c3nnc(Cc4ccccc4OC)n3CC[N@@H+](C)C(C)C)CC2)C1=O ZINC001296182402 1064323898 /nfs/dbraw/zinc/32/38/98/1064323898.db2.gz SBWAETTYFOIPLU-UHFFFAOYSA-N 1 1 483.661 2.944 20 0 JFADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)COC)C2)CC1 ZINC001296182649 1064324531 /nfs/dbraw/zinc/32/45/31/1064324531.db2.gz VWHQQYACZMLPMF-QFIPXVFZSA-N 1 1 458.626 2.897 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001296183828 1064330206 /nfs/dbraw/zinc/33/02/06/1064330206.db2.gz GOTYKQPMBCBULV-RTWAWAEBSA-N 1 1 456.635 2.700 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)OC)CC1 ZINC001296184560 1064332192 /nfs/dbraw/zinc/33/21/92/1064332192.db2.gz LHTWIHNAYHOIBU-MRXNPFEDSA-N 1 1 481.439 2.987 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185049 1064333032 /nfs/dbraw/zinc/33/30/32/1064333032.db2.gz NZYKKCVTEDUSQZ-SFHVURJKSA-N 1 1 474.053 2.734 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186055 1064334234 /nfs/dbraw/zinc/33/42/34/1064334234.db2.gz SXSFECROQFZXAL-SFHVURJKSA-N 1 1 489.615 2.531 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186689 1064334930 /nfs/dbraw/zinc/33/49/30/1064334930.db2.gz YENXRZMURLHCOQ-IBGZPJMESA-N 1 1 459.605 2.750 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190977 1064340254 /nfs/dbraw/zinc/34/02/54/1064340254.db2.gz GYCWLNKRAUZNPQ-GOSISDBHSA-N 1 1 485.706 2.586 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812974 1064340986 /nfs/dbraw/zinc/34/09/86/1064340986.db2.gz SJQFQXKDBYXAMD-DPLHUUCSSA-N 1 1 495.672 2.629 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192107 1064344072 /nfs/dbraw/zinc/34/40/72/1064344072.db2.gz MDKBGJNUNACYHJ-BKMJKUGQSA-N 1 1 469.678 2.933 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC([C@H]3CC3(F)F)CC2)CC1 ZINC001296192364 1064345295 /nfs/dbraw/zinc/34/52/95/1064345295.db2.gz DKJUZFJDJJIFCV-HXUWFJFHSA-N 1 1 481.636 2.706 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192409 1064345375 /nfs/dbraw/zinc/34/53/75/1064345375.db2.gz DWKIPBROKMVGBT-GMAHTHKFSA-N 1 1 470.662 2.973 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192377 1064345490 /nfs/dbraw/zinc/34/54/90/1064345490.db2.gz DMYJLHJFARBBEM-SFHVURJKSA-N 1 1 471.679 2.506 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC(Nc4cccnn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296192421 1064346050 /nfs/dbraw/zinc/34/60/50/1064346050.db2.gz FBBYUAJJKVHUGM-HXUWFJFHSA-N 1 1 469.682 2.720 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192422 1064346080 /nfs/dbraw/zinc/34/60/80/1064346080.db2.gz FBSYBTAILVNFAP-GOSISDBHSA-N 1 1 456.570 2.747 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193358 1064350322 /nfs/dbraw/zinc/35/03/22/1064350322.db2.gz IKEMZKDDJBZGJZ-UYAOXDASSA-N 1 1 458.655 2.925 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296193499 1064351046 /nfs/dbraw/zinc/35/10/46/1064351046.db2.gz IVFWDRYFXSRQTG-FQEVSTJZSA-N 1 1 467.662 2.815 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296193391 1064351226 /nfs/dbraw/zinc/35/12/26/1064351226.db2.gz IXYQYJCULMWEJQ-NRFANRHFSA-N 1 1 477.698 2.618 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193700 1064351241 /nfs/dbraw/zinc/35/12/41/1064351241.db2.gz PDROLAUYWKMQQB-PKOBYXMFSA-N 1 1 486.608 2.972 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193712 1064352599 /nfs/dbraw/zinc/35/25/99/1064352599.db2.gz PGBAQTUBISQRTO-SQJMNOBHSA-N 1 1 462.683 2.525 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193711 1064352631 /nfs/dbraw/zinc/35/26/31/1064352631.db2.gz PGBAQTUBISQRTO-PXDATVDWSA-N 1 1 462.683 2.525 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194693 1064357652 /nfs/dbraw/zinc/35/76/52/1064357652.db2.gz NXBPWNMMSHIZQO-GOSISDBHSA-N 1 1 493.578 2.962 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194862 1064358307 /nfs/dbraw/zinc/35/83/07/1064358307.db2.gz GRVUUETXMOUSQH-HXUWFJFHSA-N 1 1 486.665 2.794 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296195608 1064361983 /nfs/dbraw/zinc/36/19/83/1064361983.db2.gz WMDQWHCNYBRSAK-IPMKNSEASA-N 1 1 460.589 2.906 20 0 JFADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195876 1064364239 /nfs/dbraw/zinc/36/42/39/1064364239.db2.gz RIMDIMVJLVGEMM-RLWLMLJZSA-N 1 1 486.709 2.809 20 0 JFADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196110 1064364688 /nfs/dbraw/zinc/36/46/88/1064364688.db2.gz XHAQSBNCWDBTHK-RBBKRZOGSA-N 1 1 457.692 2.869 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001291822685 1064365333 /nfs/dbraw/zinc/36/53/33/1064365333.db2.gz MOCAWOHBKIWFKN-NNWRFLSQSA-N 1 1 460.667 2.863 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS(=O)CC2)CC1 ZINC001296196544 1064368020 /nfs/dbraw/zinc/36/80/20/1064368020.db2.gz QMDOVYPVHWWQGD-UHFFFAOYSA-N 1 1 495.093 2.594 20 0 JFADMO CC[C@H](C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001291825571 1064372979 /nfs/dbraw/zinc/37/29/79/1064372979.db2.gz BXEWPZWRVDVFAL-DFBJGRDBSA-N 1 1 488.608 2.602 20 0 JFADMO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291826441 1064374489 /nfs/dbraw/zinc/37/44/89/1064374489.db2.gz HJBVCRHOIFHIMO-YYTDSSBASA-N 1 1 490.693 2.803 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001296202268 1064377987 /nfs/dbraw/zinc/37/79/87/1064377987.db2.gz CGXZKIFENQBWNA-HSZRJFAPSA-N 1 1 467.662 2.655 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001296202583 1064378584 /nfs/dbraw/zinc/37/85/84/1064378584.db2.gz GGMYWGGSXVJXBW-UHFFFAOYSA-N 1 1 484.674 2.690 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296202973 1064379087 /nfs/dbraw/zinc/37/90/87/1064379087.db2.gz JPTFTXLPIOLHHE-JOCHJYFZSA-N 1 1 478.682 2.773 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203335 1064381391 /nfs/dbraw/zinc/38/13/91/1064381391.db2.gz LAFMHFJGWPRELF-UHFFFAOYSA-N 1 1 498.582 2.868 20 0 JFADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC001296203668 1064382081 /nfs/dbraw/zinc/38/20/81/1064382081.db2.gz MXYNMVHTLUENLR-UHFFFAOYSA-N 1 1 483.709 2.978 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cnn(C)c3)C2)CC1 ZINC001296203782 1064383450 /nfs/dbraw/zinc/38/34/50/1064383450.db2.gz ODPMPWIXPPAZFK-JOCHJYFZSA-N 1 1 472.682 2.596 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCC[C@@H](n3nc(C)nc3C)C2)CC1 ZINC001296203826 1064383467 /nfs/dbraw/zinc/38/34/67/1064383467.db2.gz PHHGLPVQGPTJIJ-HSZRJFAPSA-N 1 1 471.698 2.944 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001296204582 1064386330 /nfs/dbraw/zinc/38/63/30/1064386330.db2.gz SWMWXWABUJWSTR-QFIPXVFZSA-N 1 1 459.683 2.691 20 0 JFADMO CC[NH+]1CCN(CCCCn2c(CCc3ccccc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296204659 1064387050 /nfs/dbraw/zinc/38/70/50/1064387050.db2.gz UWWRGEYNFARXSV-UHFFFAOYSA-N 1 1 481.689 2.540 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC)c(O)c2)CC1 ZINC001296205023 1064388551 /nfs/dbraw/zinc/38/85/51/1064388551.db2.gz QMKKXZOXSNMNFR-UHFFFAOYSA-N 1 1 465.602 2.718 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC001296205027 1064388566 /nfs/dbraw/zinc/38/85/66/1064388566.db2.gz QUPHCMDYVCYLPG-BPYKYCOYSA-N 1 1 462.683 2.667 20 0 JFADMO CC[NH+]1CCN(CCCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)CC1 ZINC001296205257 1064390228 /nfs/dbraw/zinc/39/02/28/1064390228.db2.gz ZXVFCIAMVWKSGD-OAQYLSRUSA-N 1 1 491.681 2.604 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205357 1064390892 /nfs/dbraw/zinc/39/08/92/1064390892.db2.gz UOWKMQAGJZJMDE-NRFANRHFSA-N 1 1 473.710 2.952 20 0 JFADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205358 1064391085 /nfs/dbraw/zinc/39/10/85/1064391085.db2.gz UOWKMQAGJZJMDE-OAQYLSRUSA-N 1 1 473.710 2.952 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296205929 1064392679 /nfs/dbraw/zinc/39/26/79/1064392679.db2.gz GQZGCENKHJLAMW-FQEVSTJZSA-N 1 1 472.634 2.605 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296205904 1064392709 /nfs/dbraw/zinc/39/27/09/1064392709.db2.gz FTYRUUJNMXEXHD-UHFFFAOYSA-N 1 1 450.635 2.959 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205951 1064393297 /nfs/dbraw/zinc/39/32/97/1064393297.db2.gz HRXUNBIJYZGLEX-UHFFFAOYSA-N 1 1 476.629 2.751 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001291831997 1064394594 /nfs/dbraw/zinc/39/45/94/1064394594.db2.gz DYVWANZUSLMFPC-PZJWPPBQSA-N 1 1 471.650 2.758 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296206312 1064394869 /nfs/dbraw/zinc/39/48/69/1064394869.db2.gz NBWSTAKJVISKSW-UHFFFAOYSA-N 1 1 480.032 2.726 20 0 JFADMO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832255 1064395105 /nfs/dbraw/zinc/39/51/05/1064395105.db2.gz GAYPZHZJIUVPJA-YADHBBJMSA-N 1 1 496.704 2.887 20 0 JFADMO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832082 1064395263 /nfs/dbraw/zinc/39/52/63/1064395263.db2.gz FVYFXUSGQLWIBW-FGZHOGPDSA-N 1 1 496.704 2.887 20 0 JFADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296206407 1064395548 /nfs/dbraw/zinc/39/55/48/1064395548.db2.gz PWBSMOTYPCUATC-UHFFFAOYSA-N 1 1 456.635 2.808 20 0 JFADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296211329 1064401795 /nfs/dbraw/zinc/40/17/95/1064401795.db2.gz NHFGKRXDIPOIAH-UHFFFAOYSA-N 1 1 474.451 2.780 20 0 JFADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCSC3(CCOCC3)C2)CC1 ZINC001296212404 1064404579 /nfs/dbraw/zinc/40/45/79/1064404579.db2.gz YKEGRIQJXQHLDI-UHFFFAOYSA-N 1 1 450.697 2.607 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296212566 1064404600 /nfs/dbraw/zinc/40/46/00/1064404600.db2.gz ABYMENDCRSQJNO-RCZVLFRGSA-N 1 1 462.683 2.973 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296213842 1064410666 /nfs/dbraw/zinc/41/06/66/1064410666.db2.gz KDHZACJNPZQDPZ-UHFFFAOYSA-N 1 1 473.710 2.832 20 0 JFADMO CCN1CC[NH+](CCCn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296215958 1064420731 /nfs/dbraw/zinc/42/07/31/1064420731.db2.gz WFMWETNPVVUJQP-NRFANRHFSA-N 1 1 461.699 2.592 20 0 JFADMO CCN1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296216050 1064421656 /nfs/dbraw/zinc/42/16/56/1064421656.db2.gz YYZQTEHYHCNGPM-HXUWFJFHSA-N 1 1 463.026 2.763 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)C)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291844064 1064450048 /nfs/dbraw/zinc/45/00/48/1064450048.db2.gz FVKPRXGRVLLGSB-OAQYLSRUSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC(=O)NC(C)C)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001291844064 1064450056 /nfs/dbraw/zinc/45/00/56/1064450056.db2.gz FVKPRXGRVLLGSB-OAQYLSRUSA-N 1 1 456.635 2.892 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291852451 1064459790 /nfs/dbraw/zinc/45/97/90/1064459790.db2.gz YALSGLUUHUPVLQ-HXAGEGRHSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291852451 1064459794 /nfs/dbraw/zinc/45/97/94/1064459794.db2.gz YALSGLUUHUPVLQ-HXAGEGRHSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291852457 1064459828 /nfs/dbraw/zinc/45/98/28/1064459828.db2.gz YALSGLUUHUPVLQ-UNIVCBNLSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291852457 1064459831 /nfs/dbraw/zinc/45/98/31/1064459831.db2.gz YALSGLUUHUPVLQ-UNIVCBNLSA-N 1 1 471.646 2.907 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001291857922 1064466065 /nfs/dbraw/zinc/46/60/65/1064466065.db2.gz QOACRUXRYUEKFP-MZYLBHOOSA-N 1 1 468.646 2.845 20 0 JFADMO CC[C@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC001291857907 1064466171 /nfs/dbraw/zinc/46/61/71/1064466171.db2.gz QITGFTNYZORFLI-CTNGQTDRSA-N 1 1 454.619 2.598 20 0 JFADMO CC[C@@H](c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC001291859962 1064469960 /nfs/dbraw/zinc/46/99/60/1064469960.db2.gz JOQBNMDQYVOALG-MDNUFGMLSA-N 1 1 457.619 2.782 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001296233029 1064473262 /nfs/dbraw/zinc/47/32/62/1064473262.db2.gz LGUSEEIALXLHSN-IRLDBZIGSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@@H](c1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC001291862895 1064474241 /nfs/dbraw/zinc/47/42/41/1064474241.db2.gz MVRYBJSDBUPRAQ-DRLORSAXSA-N 1 1 468.646 2.879 20 0 JFADMO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001296233087 1064474417 /nfs/dbraw/zinc/47/44/17/1064474417.db2.gz ZNRTWMQHJJJZRQ-PRBJRKOISA-N 1 1 452.599 2.559 20 0 JFADMO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291864427 1064476626 /nfs/dbraw/zinc/47/66/26/1064476626.db2.gz UIRXTGAPRVCONG-URXFXBBRSA-N 1 1 481.689 2.808 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296242132 1064500503 /nfs/dbraw/zinc/50/05/03/1064500503.db2.gz KEPRNCLAGVIWRJ-HDICACEKSA-N 1 1 462.664 2.638 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296242132 1064500519 /nfs/dbraw/zinc/50/05/19/1064500519.db2.gz KEPRNCLAGVIWRJ-HDICACEKSA-N 1 1 462.664 2.638 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001296248376 1064508850 /nfs/dbraw/zinc/50/88/50/1064508850.db2.gz BMEWFZYWSIWGLK-OAQYLSRUSA-N 1 1 498.672 2.972 20 0 JFADMO CCNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001296248376 1064508857 /nfs/dbraw/zinc/50/88/57/1064508857.db2.gz BMEWFZYWSIWGLK-OAQYLSRUSA-N 1 1 498.672 2.972 20 0 JFADMO CC[C@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001291887990 1064510770 /nfs/dbraw/zinc/51/07/70/1064510770.db2.gz MCJMILUXFMDWGP-UGKGYDQZSA-N 1 1 474.675 2.774 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291889144 1064513520 /nfs/dbraw/zinc/51/35/20/1064513520.db2.gz RNCJWXFTAHKRRG-UFPGJGBJSA-N 1 1 468.646 2.724 20 0 JFADMO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889145 1064514247 /nfs/dbraw/zinc/51/42/47/1064514247.db2.gz RNCJWXFTAHKRRG-XLGIIRLISA-N 1 1 468.646 2.724 20 0 JFADMO C[C@H](C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001296257007 1064521962 /nfs/dbraw/zinc/52/19/62/1064521962.db2.gz IIKYTCUOYAPLRI-KRWDZBQOSA-N 1 1 459.612 2.808 20 0 JFADMO CC[C@H](c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291893368 1064522108 /nfs/dbraw/zinc/52/21/08/1064522108.db2.gz QYNBOMTWXMUKBZ-QFIPXVFZSA-N 1 1 464.618 2.747 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893512 1064522477 /nfs/dbraw/zinc/52/24/77/1064522477.db2.gz MHORVMPEYDYQDA-FCHUYYIVSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@@H](c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCNC(=O)C(C)C)c1ccccc1 ZINC001291893512 1064522497 /nfs/dbraw/zinc/52/24/97/1064522497.db2.gz MHORVMPEYDYQDA-FCHUYYIVSA-N 1 1 454.619 2.503 20 0 JFADMO CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC(C)(C)N1CCOCC1)c1ccccc1 ZINC001291894444 1064524450 /nfs/dbraw/zinc/52/44/50/1064524450.db2.gz QAALJSVLKGFORN-QHCPKHFHSA-N 1 1 470.662 2.699 20 0 JFADMO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC001296262816 1064529196 /nfs/dbraw/zinc/52/91/96/1064529196.db2.gz CJPGIJLSTSFJBQ-VQTJNVASSA-N 1 1 460.667 2.720 20 0 JFADMO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC001296262817 1064529238 /nfs/dbraw/zinc/52/92/38/1064529238.db2.gz CJPGIJLSTSFJBQ-WOJBJXKFSA-N 1 1 460.667 2.720 20 0 JFADMO CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291900924 1064531674 /nfs/dbraw/zinc/53/16/74/1064531674.db2.gz KIQYSRNFUQKDBK-FYYLOGMGSA-N 1 1 472.703 2.662 20 0 JFADMO CCNC(=O)C1(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CCC1 ZINC001296267493 1064533813 /nfs/dbraw/zinc/53/38/13/1064533813.db2.gz ISTOVYRMKCPWTC-LJQANCHMSA-N 1 1 470.618 2.703 20 0 JFADMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001296269553 1064536958 /nfs/dbraw/zinc/53/69/58/1064536958.db2.gz YOMQZRUPHFCEAL-NRFANRHFSA-N 1 1 456.587 2.855 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC001296270114 1064538504 /nfs/dbraw/zinc/53/85/04/1064538504.db2.gz KZJUPZVGYHDCOL-XMSQKQJNSA-N 1 1 481.645 2.667 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC001296270112 1064538598 /nfs/dbraw/zinc/53/85/98/1064538598.db2.gz KZJUPZVGYHDCOL-GCJKJVERSA-N 1 1 481.645 2.667 20 0 JFADMO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001296272725 1064541610 /nfs/dbraw/zinc/54/16/10/1064541610.db2.gz JUNCUXANKLQHQJ-FQEVSTJZSA-N 1 1 468.646 2.964 20 0 JFADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001291923189 1064543711 /nfs/dbraw/zinc/54/37/11/1064543711.db2.gz RADOGYJBEKKAMP-LJQANCHMSA-N 1 1 487.649 2.888 20 0 JFADMO CCC(CC)(Cn1c(-c2cccn2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)NC(=O)OC(C)(C)C ZINC001291923189 1064543728 /nfs/dbraw/zinc/54/37/28/1064543728.db2.gz RADOGYJBEKKAMP-LJQANCHMSA-N 1 1 487.649 2.888 20 0 JFADMO CCNC(=O)c1cccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001296277190 1064546209 /nfs/dbraw/zinc/54/62/09/1064546209.db2.gz BRCPHFKQKCODFK-OAQYLSRUSA-N 1 1 495.672 2.724 20 0 JFADMO CCNC(=O)c1cccc(Cn2c([C@H](C)CC)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC001296277190 1064546222 /nfs/dbraw/zinc/54/62/22/1064546222.db2.gz BRCPHFKQKCODFK-OAQYLSRUSA-N 1 1 495.672 2.724 20 0 JFADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279792 1064550204 /nfs/dbraw/zinc/55/02/04/1064550204.db2.gz HJKOTQFNUCEAKS-RPWUZVMVSA-N 1 1 451.567 2.918 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001296283113 1064554695 /nfs/dbraw/zinc/55/46/95/1064554695.db2.gz KMEXFANSDZHJRJ-DENIHFKCSA-N 1 1 487.718 2.978 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001296283615 1064555234 /nfs/dbraw/zinc/55/52/34/1064555234.db2.gz NCVDLUHLFQHETE-UHFFFAOYSA-N 1 1 469.678 2.722 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296287251 1064559611 /nfs/dbraw/zinc/55/96/11/1064559611.db2.gz SGOBKGFRTDJXFI-ISKFKSNPSA-N 1 1 481.689 2.810 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296288016 1064560407 /nfs/dbraw/zinc/56/04/07/1064560407.db2.gz DXKRSMSMGMVHDR-HXUWFJFHSA-N 1 1 471.650 2.617 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291950778 1064561686 /nfs/dbraw/zinc/56/16/86/1064561686.db2.gz FDGPOWMMUMYBBW-BWKNWUBXSA-N 1 1 476.666 2.656 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001296288530 1064561685 /nfs/dbraw/zinc/56/16/85/1064561685.db2.gz KXHLYYWGXFIIHZ-NRFANRHFSA-N 1 1 474.053 2.731 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001296288979 1064562859 /nfs/dbraw/zinc/56/28/59/1064562859.db2.gz OMJNRQYPPDQROJ-UHFFFAOYSA-N 1 1 478.645 2.706 20 0 JFADMO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291954933 1064568849 /nfs/dbraw/zinc/56/88/49/1064568849.db2.gz WGZDKPIBHCPZFB-FGZHOGPDSA-N 1 1 490.693 2.902 20 0 JFADMO CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC001291956308 1064571348 /nfs/dbraw/zinc/57/13/48/1064571348.db2.gz QWNYOGOAIYGJEV-DHIUTWEWSA-N 1 1 485.677 2.868 20 0 JFADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296295907 1064572551 /nfs/dbraw/zinc/57/25/51/1064572551.db2.gz SHGSYCLVCJHWOF-OAQYLSRUSA-N 1 1 499.679 2.777 20 0 JFADMO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCS(=O)CC1)[NH+]1CCOCC1 ZINC001291961851 1064575081 /nfs/dbraw/zinc/57/50/81/1064575081.db2.gz NOWWKAIEUWRGHH-OAQYLSRUSA-N 1 1 475.659 2.659 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001296309536 1064590278 /nfs/dbraw/zinc/59/02/78/1064590278.db2.gz DSDHMNBZOGLSNC-UHFFFAOYSA-N 1 1 454.623 2.846 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001296312299 1064592753 /nfs/dbraw/zinc/59/27/53/1064592753.db2.gz XMDVEEOSDUWWNX-LJQANCHMSA-N 1 1 455.607 2.680 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001296316387 1064597473 /nfs/dbraw/zinc/59/74/73/1064597473.db2.gz WTAGHZHWFDYTJF-RBBKRZOGSA-N 1 1 453.635 2.993 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001296317415 1064599867 /nfs/dbraw/zinc/59/98/67/1064599867.db2.gz OEWHZWQHTCPLSE-OAQYLSRUSA-N 1 1 476.629 2.636 20 0 JFADMO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001296324197 1064607390 /nfs/dbraw/zinc/60/73/90/1064607390.db2.gz FGRIPIPCYFWKPY-UHFFFAOYSA-N 1 1 469.634 2.891 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990933 1064607519 /nfs/dbraw/zinc/60/75/19/1064607519.db2.gz OLUJBHQCAOHCNP-VVMVZBAXSA-N 1 1 451.567 2.752 20 0 JFADMO COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)CC(=O)N2C)cc1 ZINC001291990933 1064607523 /nfs/dbraw/zinc/60/75/23/1064607523.db2.gz OLUJBHQCAOHCNP-VVMVZBAXSA-N 1 1 451.567 2.752 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001291993784 1064609728 /nfs/dbraw/zinc/60/97/28/1064609728.db2.gz LEGZPBZTVWTQDB-GOSISDBHSA-N 1 1 467.622 2.957 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001291994066 1064610534 /nfs/dbraw/zinc/61/05/34/1064610534.db2.gz OFVSZVCVVUFXRK-SFHVURJKSA-N 1 1 467.622 2.642 20 0 JFADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001296324788 1064612154 /nfs/dbraw/zinc/61/21/54/1064612154.db2.gz CBRMINKQEBCIOA-GUDVDZBRSA-N 1 1 494.637 2.560 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001292008800 1064631254 /nfs/dbraw/zinc/63/12/54/1064631254.db2.gz PUXZBZSIOSMXIC-JOCHJYFZSA-N 1 1 454.619 2.870 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001292009461 1064633532 /nfs/dbraw/zinc/63/35/32/1064633532.db2.gz WMQLSHBPTSPDFV-ZIFCJYIRSA-N 1 1 484.736 2.591 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CSCCS1 ZINC001292009461 1064633537 /nfs/dbraw/zinc/63/35/37/1064633537.db2.gz WMQLSHBPTSPDFV-ZIFCJYIRSA-N 1 1 484.736 2.591 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(CC)CC1 ZINC001292016183 1064648544 /nfs/dbraw/zinc/64/85/44/1064648544.db2.gz DDOABSWIYACRIY-UGKGYDQZSA-N 1 1 487.693 2.766 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001292016616 1064650186 /nfs/dbraw/zinc/65/01/86/1064650186.db2.gz HDBMIQKTLBRHMY-YDHSSHFGSA-N 1 1 468.646 2.904 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCc1ccsc1 ZINC001292018281 1064652369 /nfs/dbraw/zinc/65/23/69/1064652369.db2.gz PZYREXBCFGIXFO-XLIONFOSSA-N 1 1 460.648 2.658 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1ccsc1 ZINC001292018279 1064652430 /nfs/dbraw/zinc/65/24/30/1064652430.db2.gz PZYREXBCFGIXFO-PXNSSMCTSA-N 1 1 460.648 2.658 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019386 1064657676 /nfs/dbraw/zinc/65/76/76/1064657676.db2.gz FBMFXSIGZJSBPQ-OTWHNJEPSA-N 1 1 456.639 2.575 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001292024742 1064674046 /nfs/dbraw/zinc/67/40/46/1064674046.db2.gz SZEJFHJXAUUXTK-IBVKSMDESA-N 1 1 484.645 2.713 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCCn1ccnc1C ZINC001292029700 1064683233 /nfs/dbraw/zinc/68/32/33/1064683233.db2.gz DYEZXTWAUPYFRM-NQIIRXRSSA-N 1 1 456.639 2.855 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cc(C)cc(OC)c1 ZINC001292041671 1064706805 /nfs/dbraw/zinc/70/68/05/1064706805.db2.gz NUQUTLKZFFXVIN-SANMLTNESA-N 1 1 484.645 2.863 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1 ZINC001292042848 1064708517 /nfs/dbraw/zinc/70/85/17/1064708517.db2.gz XNPMQNNPJYMRRY-DEOSSOPVSA-N 1 1 458.582 2.685 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC1(F)CCC1 ZINC001292054720 1064721439 /nfs/dbraw/zinc/72/14/39/1064721439.db2.gz HPSCEGIEUSCFLW-SFHVURJKSA-N 1 1 450.603 2.637 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001292054857 1064721884 /nfs/dbraw/zinc/72/18/84/1064721884.db2.gz LDMGUPPFGFZJQY-PMACEKPBSA-N 1 1 485.681 2.825 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001292054866 1064722373 /nfs/dbraw/zinc/72/23/73/1064722373.db2.gz LDMGUPPFGFZJQY-WOJBJXKFSA-N 1 1 485.681 2.825 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCc1ccccc1F ZINC001292055304 1064723618 /nfs/dbraw/zinc/72/36/18/1064723618.db2.gz QBIKHVAJKJZQTH-LJQANCHMSA-N 1 1 472.609 2.737 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001292056175 1064726126 /nfs/dbraw/zinc/72/61/26/1064726126.db2.gz STYLUPGFZVLKHK-DEOSSOPVSA-N 1 1 498.672 2.696 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292063279 1064736285 /nfs/dbraw/zinc/73/62/85/1064736285.db2.gz QFPFMVGCOQLZGO-LJQANCHMSA-N 1 1 487.693 2.812 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC(S(=O)(=O)CC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292064551 1064738919 /nfs/dbraw/zinc/73/89/19/1064738919.db2.gz BCLDWADUGDPQGX-LJQANCHMSA-N 1 1 496.722 2.720 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001292078314 1064760824 /nfs/dbraw/zinc/76/08/24/1064760824.db2.gz DOFYGKKQKMNECY-HJNYFJLDSA-N 1 1 476.666 2.559 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001292079364 1064762758 /nfs/dbraw/zinc/76/27/58/1064762758.db2.gz REKARVMYGYCPPI-YZGWKJHDSA-N 1 1 476.622 2.679 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001292084975 1064767390 /nfs/dbraw/zinc/76/73/90/1064767390.db2.gz LHKBZJXQJDKCAB-PZJWPPBQSA-N 1 1 499.660 2.979 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCn1cc[nH+]c1C ZINC001292090059 1064774863 /nfs/dbraw/zinc/77/48/63/1064774863.db2.gz NODNZIRHKBSESN-LJQANCHMSA-N 1 1 472.638 2.533 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001292091442 1064778683 /nfs/dbraw/zinc/77/86/83/1064778683.db2.gz VKGFJGLQXHGAMW-TZIWHRDSSA-N 1 1 471.654 2.750 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001292104419 1064796587 /nfs/dbraw/zinc/79/65/87/1064796587.db2.gz FICNDGAMJYCEBS-AZUAARDMSA-N 1 1 474.629 2.781 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001292104274 1064796665 /nfs/dbraw/zinc/79/66/65/1064796665.db2.gz CNDVXTQRLVSXKE-UHFFFAOYSA-N 1 1 499.685 2.872 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001292105713 1064799839 /nfs/dbraw/zinc/79/98/39/1064799839.db2.gz NWJDQOBRFNOOJZ-NRFANRHFSA-N 1 1 487.693 2.910 20 0 JFADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108512 1064805700 /nfs/dbraw/zinc/80/57/00/1064805700.db2.gz HJIUJDOKUANYCL-NRSPTQNISA-N 1 1 458.603 2.701 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001292109838 1064808949 /nfs/dbraw/zinc/80/89/49/1064808949.db2.gz BXJTVOJNSAWBHC-IBGZPJMESA-N 1 1 499.664 2.554 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC1CCCCC1 ZINC001292109852 1064809616 /nfs/dbraw/zinc/80/96/16/1064809616.db2.gz CIOSBENOVDPLLQ-NRFANRHFSA-N 1 1 473.666 2.520 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292110481 1064813620 /nfs/dbraw/zinc/81/36/20/1064813620.db2.gz JCUODEPFZRVRJF-FQEVSTJZSA-N 1 1 499.660 2.872 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H]1C[C@@H]1C ZINC001292124116 1064864625 /nfs/dbraw/zinc/86/46/25/1064864625.db2.gz LIEFLXMEIKOUMY-DWLFOUALSA-N 1 1 454.619 2.708 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(Cl)nc1 ZINC001292125169 1064867873 /nfs/dbraw/zinc/86/78/73/1064867873.db2.gz JTXVGNHLNZZKNZ-KRWDZBQOSA-N 1 1 490.052 2.983 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1ccc(F)cc1 ZINC001292126118 1064873762 /nfs/dbraw/zinc/87/37/62/1064873762.db2.gz HJEXIWXMRNIISN-QFIPXVFZSA-N 1 1 472.609 2.879 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1ccccc1C ZINC001292127057 1064879143 /nfs/dbraw/zinc/87/91/43/1064879143.db2.gz UMVQZYLJKMCTLC-JOCHJYFZSA-N 1 1 454.619 2.854 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1C[C@H]1CCCc2cccnc21 ZINC001292127048 1064879247 /nfs/dbraw/zinc/87/92/47/1064879247.db2.gz UIDJIKZVGGKEDR-TZIWHRDSSA-N 1 1 483.661 2.869 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCn3nc(C)nc3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292133966 1064890717 /nfs/dbraw/zinc/89/07/17/1064890717.db2.gz MTEGDYLBPISFJX-KDURUIRLSA-N 1 1 485.681 2.875 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1Cc1cccc(CSC)c1 ZINC001292134881 1064896679 /nfs/dbraw/zinc/89/66/79/1064896679.db2.gz YAZGXACOBHCRNY-OAQYLSRUSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1Cc1cccc(CSC)c1 ZINC001292134881 1064896687 /nfs/dbraw/zinc/89/66/87/1064896687.db2.gz YAZGXACOBHCRNY-OAQYLSRUSA-N 1 1 472.659 2.629 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001292134933 1064897419 /nfs/dbraw/zinc/89/74/19/1064897419.db2.gz YRZLLAKEKQYNTH-SFHVURJKSA-N 1 1 498.525 2.924 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001292134933 1064897438 /nfs/dbraw/zinc/89/74/38/1064897438.db2.gz YRZLLAKEKQYNTH-SFHVURJKSA-N 1 1 498.525 2.924 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292143120 1064910634 /nfs/dbraw/zinc/91/06/34/1064910634.db2.gz AOJWQERPDIRPCO-RBUKOAKNSA-N 1 1 488.637 2.586 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292143447 1064912241 /nfs/dbraw/zinc/91/22/41/1064912241.db2.gz FHHFQNDDJHYLNQ-OALUTQOASA-N 1 1 488.637 2.765 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292144955 1064917817 /nfs/dbraw/zinc/91/78/17/1064917817.db2.gz RHLTWWXFIBYKPR-PKOBYXMFSA-N 1 1 488.637 2.623 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292145953 1064922733 /nfs/dbraw/zinc/92/27/33/1064922733.db2.gz YODBNAGGFKCIDY-PKOBYXMFSA-N 1 1 475.663 2.881 20 0 JFADMO C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC001292150383 1064927811 /nfs/dbraw/zinc/92/78/11/1064927811.db2.gz KAXBTPCZUDNXFF-FQEVSTJZSA-N 1 1 455.559 2.819 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001292150439 1064927841 /nfs/dbraw/zinc/92/78/41/1064927841.db2.gz BOVQYBIBGOHFPW-NSHGMRRFSA-N 1 1 489.665 2.642 20 0 JFADMO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@@](C)(O)CC ZINC001292154526 1064934605 /nfs/dbraw/zinc/93/46/05/1064934605.db2.gz DRMGGMUGDGXZIA-UZINWLIJSA-N 1 1 468.646 2.926 20 0 JFADMO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)Oc1ccccc1F ZINC001292160617 1064943484 /nfs/dbraw/zinc/94/34/84/1064943484.db2.gz RJCUMTNHSSCDJW-WOJBJXKFSA-N 1 1 488.608 2.668 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173179 1064961209 /nfs/dbraw/zinc/96/12/09/1064961209.db2.gz PCUWVSVHTYFPIP-TXTKFYIRSA-N 1 1 484.645 2.506 20 0 JFADMO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC001292173590 1064962190 /nfs/dbraw/zinc/96/21/90/1064962190.db2.gz NNDWZFRLVYKJOE-WAOWUJCRSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292173844 1064962595 /nfs/dbraw/zinc/96/25/95/1064962595.db2.gz SZDZBHCVMWZQJY-VEXUSMLFSA-N 1 1 468.646 2.791 20 0 JFADMO CC[C@H](Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292173843 1064962722 /nfs/dbraw/zinc/96/27/22/1064962722.db2.gz SZDZBHCVMWZQJY-CTUHWIOQSA-N 1 1 468.646 2.791 20 0 JFADMO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC001292176169 1064966440 /nfs/dbraw/zinc/96/64/40/1064966440.db2.gz WZGAUOSBLHQBCI-BBTUJRGHSA-N 1 1 460.648 2.714 20 0 JFADMO CC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001292197538 1064989646 /nfs/dbraw/zinc/98/96/46/1064989646.db2.gz GSRGZBSXRHDHIU-CLOONOSVSA-N 1 1 487.649 2.888 20 0 JFADMO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001292208924 1064998403 /nfs/dbraw/zinc/99/84/03/1064998403.db2.gz RETZGVDGEFWSIA-QUCCMNQESA-N 1 1 469.565 2.889 20 0 JFADMO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)OC ZINC001292212785 1065003179 /nfs/dbraw/zinc/00/31/79/1065003179.db2.gz WLZTXKYQQLQKGQ-KZNAEPCWSA-N 1 1 453.591 2.536 20 0 JFADMO CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1)OC ZINC001292222669 1065009153 /nfs/dbraw/zinc/00/91/53/1065009153.db2.gz GAKNMJAOTQYRSM-JQVVWYNYSA-N 1 1 459.591 2.763 20 0 JFADMO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC001292229798 1065016865 /nfs/dbraw/zinc/01/68/65/1065016865.db2.gz HOJFOSVUIISZTQ-ZEQRLZLVSA-N 1 1 468.646 2.655 20 0 JFADMO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001292261278 1065040989 /nfs/dbraw/zinc/04/09/89/1065040989.db2.gz HXEVNZVZPMTZCT-HKBOAZHASA-N 1 1 492.665 2.934 20 0 JFADMO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001292271650 1065048942 /nfs/dbraw/zinc/04/89/42/1065048942.db2.gz GEXDNRIIHPQTRR-IEBWSBKVSA-N 1 1 461.632 2.573 20 0 JFADMO COc1cc2nc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c(=O)n(C)c2cc1OC ZINC001292274600 1065051950 /nfs/dbraw/zinc/05/19/50/1065051950.db2.gz SMYPFMRPWZNBST-SFHVURJKSA-N 1 1 450.539 2.593 20 0 JFADMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC001292278414 1065054479 /nfs/dbraw/zinc/05/44/79/1065054479.db2.gz PSWMTSJWKGVPOX-UHFFFAOYSA-N 1 1 455.320 2.877 20 0 JFADMO CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292280774 1065055590 /nfs/dbraw/zinc/05/55/90/1065055590.db2.gz YRVWKLPIOPCKIF-RTWAWAEBSA-N 1 1 454.619 2.881 20 0 JFADMO CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001292291664 1065062262 /nfs/dbraw/zinc/06/22/62/1065062262.db2.gz AUJWHUQCZKWGFN-IFMALSPDSA-N 1 1 457.619 2.874 20 0 JFADMO CCC(O)(CC)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001292291667 1065062632 /nfs/dbraw/zinc/06/26/32/1065062632.db2.gz AUJWHUQCZKWGFN-UNMCSNQZSA-N 1 1 457.619 2.874 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)O1 ZINC001292298226 1065069504 /nfs/dbraw/zinc/06/95/04/1065069504.db2.gz UWCFHNPFNUEYIW-UXGLMHHASA-N 1 1 489.709 2.759 20 0 JFADMO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC001292304933 1065075221 /nfs/dbraw/zinc/07/52/21/1065075221.db2.gz OGDBIVIOSNNDTQ-OHUGHZGNSA-N 1 1 460.667 2.957 20 0 JFADMO CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC001292315810 1065082744 /nfs/dbraw/zinc/08/27/44/1065082744.db2.gz AMDSLOSPAAMQQD-PXDATVDWSA-N 1 1 454.619 2.658 20 0 JFADMO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001292330509 1065087521 /nfs/dbraw/zinc/08/75/21/1065087521.db2.gz MZWLEEDAVXAMLZ-UHFFFAOYSA-N 1 1 452.466 2.514 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001292332292 1065088513 /nfs/dbraw/zinc/08/85/13/1065088513.db2.gz RHPMOUKFVOPDLF-ZFGGDYGUSA-N 1 1 496.722 2.892 20 0 JFADMO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001292333171 1065089180 /nfs/dbraw/zinc/08/91/80/1065089180.db2.gz VDVXPXVRRBJOFM-MZLICYQSSA-N 1 1 496.722 2.748 20 0 JFADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)cc2)CC1 ZINC001292391444 1065130446 /nfs/dbraw/zinc/13/04/46/1065130446.db2.gz LXDYNICDDQULJL-HXUWFJFHSA-N 1 1 455.603 2.767 20 0 JFADMO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C3CCCC3)CC2)CCOCC1 ZINC001292415278 1065149139 /nfs/dbraw/zinc/14/91/39/1065149139.db2.gz XMVNYINKRMDCOU-LJQANCHMSA-N 1 1 482.695 2.550 20 0 JFADMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](CC)C2)[NH+](C)C)cc1 ZINC001292462408 1065192267 /nfs/dbraw/zinc/19/22/67/1065192267.db2.gz SERFLUHSRZXTNX-VSKRKVRLSA-N 1 1 475.659 2.661 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001292473731 1065199039 /nfs/dbraw/zinc/19/90/39/1065199039.db2.gz LGZOHFXURXFAPU-UHFFFAOYSA-N 1 1 462.664 2.615 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292473726 1065199078 /nfs/dbraw/zinc/19/90/78/1065199078.db2.gz LDMIVXJZLWIWIS-CEYNDMKZSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292473726 1065199084 /nfs/dbraw/zinc/19/90/84/1065199084.db2.gz LDMIVXJZLWIWIS-CEYNDMKZSA-N 1 1 454.619 2.531 20 0 JFADMO CCc1ccc(-c2nnc(N(CC)CCS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001292476962 1065200829 /nfs/dbraw/zinc/20/08/29/1065200829.db2.gz RBJDICGJSYPNKJ-IBGZPJMESA-N 1 1 456.616 2.838 20 0 JFADMO CCc1ccc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292477917 1065201939 /nfs/dbraw/zinc/20/19/39/1065201939.db2.gz DCZNBAMPMWHXIE-UGKGYDQZSA-N 1 1 468.646 2.969 20 0 JFADMO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001292507070 1065224682 /nfs/dbraw/zinc/22/46/82/1065224682.db2.gz IEJRTFPZVSDKEG-FQEVSTJZSA-N 1 1 462.664 2.613 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC001292518159 1065241426 /nfs/dbraw/zinc/24/14/26/1065241426.db2.gz OBBNZVDKLDWICR-JTHBVZDNSA-N 1 1 481.689 2.886 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001292520259 1065244508 /nfs/dbraw/zinc/24/45/08/1065244508.db2.gz DHGHNCWZWHMQHS-SFHVURJKSA-N 1 1 466.552 2.913 20 0 JFADMO CCc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001292520259 1065244522 /nfs/dbraw/zinc/24/45/22/1065244522.db2.gz DHGHNCWZWHMQHS-SFHVURJKSA-N 1 1 466.552 2.913 20 0 JFADMO O=C(NC[C@H]1CCCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523693 1065248286 /nfs/dbraw/zinc/24/82/86/1065248286.db2.gz JMDRWAJZGOZSDB-CJFMBICVSA-N 1 1 454.546 2.823 20 0 JFADMO CCc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCC[N@@H+](C)CCOC)cc1 ZINC001292528148 1065254125 /nfs/dbraw/zinc/25/41/25/1065254125.db2.gz PMFOBHFKYGTWOY-NBGIEHNGSA-N 1 1 457.619 2.860 20 0 JFADMO CCc1ccccc1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001292567023 1065277860 /nfs/dbraw/zinc/27/78/60/1065277860.db2.gz NXNDJGLDAMDXOU-CJFMBICVSA-N 1 1 457.619 2.914 20 0 JFADMO CCc1ccccc1OCc1nnc(N(C)Cc2c(C)noc2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001292584382 1065300240 /nfs/dbraw/zinc/30/02/40/1065300240.db2.gz RCYXPYTZFHJHDH-XMMPIXPASA-N 1 1 454.575 2.727 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589416 1065305834 /nfs/dbraw/zinc/30/58/34/1065305834.db2.gz LLQZGDFGJXOWNI-RBUKOAKNSA-N 1 1 477.613 2.881 20 0 JFADMO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001292589519 1065305896 /nfs/dbraw/zinc/30/58/96/1065305896.db2.gz MFFYIFXISGKDDS-ICSRJNTNSA-N 1 1 461.632 2.527 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292593944 1065314273 /nfs/dbraw/zinc/31/42/73/1065314273.db2.gz PMQNKPORLPVPAG-FQEVSTJZSA-N 1 1 485.629 2.777 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292597848 1065317953 /nfs/dbraw/zinc/31/79/53/1065317953.db2.gz ZAQCVGBGSIFCMF-KBMIEXCESA-N 1 1 454.619 2.866 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001292597846 1065317976 /nfs/dbraw/zinc/31/79/76/1065317976.db2.gz ZAQCVGBGSIFCMF-CLOONOSVSA-N 1 1 454.619 2.866 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001292605451 1065331111 /nfs/dbraw/zinc/33/11/11/1065331111.db2.gz JBIXUZOISSDIFR-QHCPKHFHSA-N 1 1 497.688 2.550 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001292609823 1065336988 /nfs/dbraw/zinc/33/69/88/1065336988.db2.gz NURAVLQIHAWWLW-FQEVSTJZSA-N 1 1 454.619 2.996 20 0 JFADMO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1snnc1C ZINC001292615136 1065347450 /nfs/dbraw/zinc/34/74/50/1065347450.db2.gz NXJPURNVEBZFNU-QGZVFWFLSA-N 1 1 471.631 2.785 20 0 JFADMO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)o1 ZINC001292678056 1065416943 /nfs/dbraw/zinc/41/69/43/1065416943.db2.gz CBHMWGUYGTUHFO-CVEARBPZSA-N 1 1 452.563 2.751 20 0 JFADMO CCc1nc(CCn2c(-c3cnn(C)c3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)cs1 ZINC001292708453 1065463444 /nfs/dbraw/zinc/46/34/44/1065463444.db2.gz GZRXCXWIFSUORO-UHFFFAOYSA-N 1 1 472.663 2.735 20 0 JFADMO CCc1nc(CCn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCOC(C)C)CC2)cs1 ZINC001292710064 1065465047 /nfs/dbraw/zinc/46/50/47/1065465047.db2.gz IQQWCVPNRVFUTF-IBGZPJMESA-N 1 1 462.664 2.981 20 0 JFADMO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001292720005 1065479231 /nfs/dbraw/zinc/47/92/31/1065479231.db2.gz AIAXZNNJZFHNDJ-CALCHBBNSA-N 1 1 463.652 2.571 20 0 JFADMO CCc1nc(CCn2c(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720253 1065480013 /nfs/dbraw/zinc/48/00/13/1065480013.db2.gz FFSBUCQMMQYMKP-GOSISDBHSA-N 1 1 459.664 2.580 20 0 JFADMO CCc1nc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001292728968 1065490358 /nfs/dbraw/zinc/49/03/58/1065490358.db2.gz OGPHKUDPGXFKOI-IBGZPJMESA-N 1 1 470.647 2.871 20 0 JFADMO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cs1 ZINC001292729550 1065491977 /nfs/dbraw/zinc/49/19/77/1065491977.db2.gz UCGVUAOSCKLFBZ-ROUUACIJSA-N 1 1 480.704 2.956 20 0 JFADMO CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cs1 ZINC001292737530 1065498850 /nfs/dbraw/zinc/49/88/50/1065498850.db2.gz LOANANFGMWMQKL-QZTJIDSGSA-N 1 1 478.663 2.759 20 0 JFADMO CCc1nc(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)cs1 ZINC001292738546 1065500186 /nfs/dbraw/zinc/50/01/86/1065500186.db2.gz KXMTVXRIFQQADR-QHCPKHFHSA-N 1 1 475.663 2.565 20 0 JFADMO CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)s1 ZINC001292787425 1065550079 /nfs/dbraw/zinc/55/00/79/1065550079.db2.gz SDWVROQLKJJDNQ-GOSISDBHSA-N 1 1 498.657 2.766 20 0 JFADMO CCc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)s1 ZINC001292787425 1065550084 /nfs/dbraw/zinc/55/00/84/1065550084.db2.gz SDWVROQLKJJDNQ-GOSISDBHSA-N 1 1 498.657 2.766 20 0 JFADMO CCc1nnc(Cn2c(COc3ccccc3OC)nnc2N2CC[N@H+](CC)[C@H](C)C2)s1 ZINC001292797649 1065558318 /nfs/dbraw/zinc/55/83/18/1065558318.db2.gz GMRQYTSCXYERCE-MRXNPFEDSA-N 1 1 457.604 2.858 20 0 JFADMO CCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001292804028 1065561788 /nfs/dbraw/zinc/56/17/88/1065561788.db2.gz XGLMKCGSXANEKB-WSTZPKSXSA-N 1 1 463.648 2.944 20 0 JFADMO CCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001292813705 1065564304 /nfs/dbraw/zinc/56/43/04/1065564304.db2.gz OFFCYBBDGIMSTQ-SFTDATJTSA-N 1 1 462.589 2.907 20 0 JFADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001292819245 1065566621 /nfs/dbraw/zinc/56/66/21/1065566621.db2.gz FCURXZWJAJAHQI-FQEVSTJZSA-N 1 1 454.619 2.688 20 0 JFADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001292819246 1065566724 /nfs/dbraw/zinc/56/67/24/1065566724.db2.gz FCURXZWJAJAHQI-HXUWFJFHSA-N 1 1 454.619 2.688 20 0 JFADMO CCc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1ccccc1N1CCOCC1 ZINC001292819310 1065566806 /nfs/dbraw/zinc/56/68/06/1065566806.db2.gz HJYDUYSEHIVZCC-UHFFFAOYSA-N 1 1 456.635 2.520 20 0 JFADMO CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892225 1065588966 /nfs/dbraw/zinc/58/89/66/1065588966.db2.gz AYZUGLYUNCJEFX-CLLDFNAGSA-N 1 1 468.646 2.517 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001292892693 1065590905 /nfs/dbraw/zinc/59/09/05/1065590905.db2.gz GNNPCBHBBQTVQB-VJBMBRPKSA-N 1 1 453.635 2.664 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892767 1065591467 /nfs/dbraw/zinc/59/14/67/1065591467.db2.gz HZRKWWNRJMDIDF-IMSXRSKXSA-N 1 1 467.662 2.744 20 0 JFADMO CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1c(C)cccc1C ZINC001292893427 1065594194 /nfs/dbraw/zinc/59/41/94/1065594194.db2.gz NVGYHGALKQHTGZ-GMAHTHKFSA-N 1 1 468.646 2.915 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893426 1065594300 /nfs/dbraw/zinc/59/43/00/1065594300.db2.gz NVGYHGALKQHTGZ-GGAORHGYSA-N 1 1 468.646 2.915 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC1(CCOC)CCCCC1 ZINC001292894570 1065595970 /nfs/dbraw/zinc/59/59/70/1065595970.db2.gz XYSFBSVKJQWIFS-IRLDBZIGSA-N 1 1 460.667 2.816 20 0 JFADMO CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001292899259 1065597307 /nfs/dbraw/zinc/59/73/07/1065597307.db2.gz MFINECQTBRLJMO-IEBWSBKVSA-N 1 1 458.573 2.662 20 0 JFADMO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292900024 1065598231 /nfs/dbraw/zinc/59/82/31/1065598231.db2.gz RJVOQFNCGKKVGI-WMZOPIPTSA-N 1 1 468.524 2.576 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909392 1065599520 /nfs/dbraw/zinc/59/95/20/1065599520.db2.gz VNWSDFWJYVRKNC-AZUAARDMSA-N 1 1 450.539 2.849 20 0 JFADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 ZINC001292921115 1065606583 /nfs/dbraw/zinc/60/65/83/1065606583.db2.gz WNPXRPDRSYEWEL-UHFFFAOYSA-N 1 1 456.612 2.992 20 0 JFADMO COC(=O)c1ccoc1CSc1ccccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001292921191 1065607133 /nfs/dbraw/zinc/60/71/33/1065607133.db2.gz ZHRHKZIRZZZIHH-UHFFFAOYSA-N 1 1 459.568 2.641 20 0 JFADMO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292924806 1065617572 /nfs/dbraw/zinc/61/75/72/1065617572.db2.gz QXSNNFNRZHLZIS-OAQYLSRUSA-N 1 1 499.679 2.786 20 0 JFADMO CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CCOCc1ccccc1 ZINC001292951192 1065631332 /nfs/dbraw/zinc/63/13/32/1065631332.db2.gz FXPZQZWAFLMOGO-UHFFFAOYSA-N 1 1 468.646 2.828 20 0 JFADMO C[C@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)CN1CC[NH+](C)CC1 ZINC001292957484 1065634567 /nfs/dbraw/zinc/63/45/67/1065634567.db2.gz ACQPDBBRUHFLHS-GFCCVEGCSA-N 1 1 455.784 2.557 20 0 JFADMO CCc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292960804 1065640523 /nfs/dbraw/zinc/64/05/23/1065640523.db2.gz KASSAGSHXFRJSF-SFHVURJKSA-N 1 1 465.545 2.852 20 0 JFADMO CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCNC(=O)c1ccccc1F ZINC001292961277 1065642127 /nfs/dbraw/zinc/64/21/27/1065642127.db2.gz WGMFWCZKCGMTFJ-KDURUIRLSA-N 1 1 472.609 2.735 20 0 JFADMO CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001292977931 1065657444 /nfs/dbraw/zinc/65/74/44/1065657444.db2.gz CVBZJGJWEPNPOQ-UHFFFAOYSA-N 1 1 485.652 2.713 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001292978790 1065659729 /nfs/dbraw/zinc/65/97/29/1065659729.db2.gz XIMLXAVBIVBWDY-IBGZPJMESA-N 1 1 487.718 2.883 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292979668 1065662042 /nfs/dbraw/zinc/66/20/42/1065662042.db2.gz GDQZWBICBUQTJH-JOCHJYFZSA-N 1 1 469.634 2.868 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292980203 1065663775 /nfs/dbraw/zinc/66/37/75/1065663775.db2.gz MTVMFPQDUZIFBA-HDICACEKSA-N 1 1 457.623 2.904 20 0 JFADMO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292980708 1065664509 /nfs/dbraw/zinc/66/45/09/1065664509.db2.gz XVPVMBHLQNJEKN-JOCHJYFZSA-N 1 1 469.634 2.988 20 0 JFADMO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001292980742 1065664573 /nfs/dbraw/zinc/66/45/73/1065664573.db2.gz YXNICFCRISVWQR-NHCUHLMSSA-N 1 1 473.597 2.617 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001292981171 1065666025 /nfs/dbraw/zinc/66/60/25/1065666025.db2.gz CKHPWIPVQGRUBH-AABGKKOBSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001292981173 1065666037 /nfs/dbraw/zinc/66/60/37/1065666037.db2.gz CKHPWIPVQGRUBH-UFYCRDLUSA-N 1 1 464.655 2.817 20 0 JFADMO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001292984856 1065667929 /nfs/dbraw/zinc/66/79/29/1065667929.db2.gz AYRBZJCVBFEUAC-UZLBHIALSA-N 1 1 466.677 2.503 20 0 JFADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292987772 1065673894 /nfs/dbraw/zinc/67/38/94/1065673894.db2.gz UJCJCADDEFXFJM-MRXNPFEDSA-N 1 1 454.384 2.924 20 0 JFADMO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292987772 1065673899 /nfs/dbraw/zinc/67/38/99/1065673899.db2.gz UJCJCADDEFXFJM-MRXNPFEDSA-N 1 1 454.384 2.924 20 0 JFADMO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001292991082 1065677741 /nfs/dbraw/zinc/67/77/41/1065677741.db2.gz GXCYSMXJIHEVQX-SFHVURJKSA-N 1 1 455.607 2.503 20 0 JFADMO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001292991608 1065679305 /nfs/dbraw/zinc/67/93/05/1065679305.db2.gz QKWYHXSMMGAYDO-GOSISDBHSA-N 1 1 477.057 2.605 20 0 JFADMO COc1ccc(/C=C(\C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c2cccs2)cc1 ZINC001293003334 1065688678 /nfs/dbraw/zinc/68/86/78/1065688678.db2.gz BXSWNSSNKKJLIQ-UZYVYHOESA-N 1 1 454.596 2.809 20 0 JFADMO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001293030713 1065700991 /nfs/dbraw/zinc/70/09/91/1065700991.db2.gz WZGIGHMOYWHHAA-NZQKXSOJSA-N 1 1 488.702 2.785 20 0 JFADMO CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293044506 1065709363 /nfs/dbraw/zinc/70/93/63/1065709363.db2.gz KWPKSZNKTJZGGE-FCHUYYIVSA-N 1 1 453.635 2.864 20 0 JFADMO CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001293059865 1065714846 /nfs/dbraw/zinc/71/48/46/1065714846.db2.gz HUTANRVOPQDCHN-KNQAVFIVSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001293059865 1065714857 /nfs/dbraw/zinc/71/48/57/1065714857.db2.gz HUTANRVOPQDCHN-KNQAVFIVSA-N 1 1 475.659 2.513 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001293061552 1065715567 /nfs/dbraw/zinc/71/55/67/1065715567.db2.gz AQJXWFGBRZEFBP-UHFFFAOYSA-N 1 1 475.037 2.957 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001293061552 1065715573 /nfs/dbraw/zinc/71/55/73/1065715573.db2.gz AQJXWFGBRZEFBP-UHFFFAOYSA-N 1 1 475.037 2.957 20 0 JFADMO CCc1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001293066374 1065717764 /nfs/dbraw/zinc/71/77/64/1065717764.db2.gz JMTRZCNAAMEBTM-HSZRJFAPSA-N 1 1 496.578 2.671 20 0 JFADMO CCc1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001293066374 1065717774 /nfs/dbraw/zinc/71/77/74/1065717774.db2.gz JMTRZCNAAMEBTM-HSZRJFAPSA-N 1 1 496.578 2.671 20 0 JFADMO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293067007 1065718893 /nfs/dbraw/zinc/71/88/93/1065718893.db2.gz YYTOFKBRSMSGSD-CALCHBBNSA-N 1 1 462.668 2.605 20 0 JFADMO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293066920 1065718987 /nfs/dbraw/zinc/71/89/87/1065718987.db2.gz VUWRLJLUICWEAM-KDURUIRLSA-N 1 1 459.614 2.979 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001293068507 1065720770 /nfs/dbraw/zinc/72/07/70/1065720770.db2.gz RQAHSQJBKJREIZ-UHFFFAOYSA-N 1 1 468.646 2.623 20 0 JFADMO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001293068507 1065720781 /nfs/dbraw/zinc/72/07/81/1065720781.db2.gz RQAHSQJBKJREIZ-UHFFFAOYSA-N 1 1 468.646 2.623 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001293068593 1065721201 /nfs/dbraw/zinc/72/12/01/1065721201.db2.gz JOPQMCSEQMIHLT-QFIPXVFZSA-N 1 1 454.598 2.728 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001293068592 1065721270 /nfs/dbraw/zinc/72/12/70/1065721270.db2.gz JOPQMCSEQMIHLT-JOCHJYFZSA-N 1 1 454.598 2.728 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293069435 1065722253 /nfs/dbraw/zinc/72/22/53/1065722253.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 1 1 450.635 2.807 20 0 JFADMO CCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293069435 1065722260 /nfs/dbraw/zinc/72/22/60/1065722260.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 1 1 450.635 2.807 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001293081161 1065730175 /nfs/dbraw/zinc/73/01/75/1065730175.db2.gz GBCBGMQNYYETSG-FQEVSTJZSA-N 1 1 454.619 2.877 20 0 JFADMO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293082151 1065731892 /nfs/dbraw/zinc/73/18/92/1065731892.db2.gz VANMOPYMUAVANK-BGYRXZFFSA-N 1 1 454.619 2.877 20 0 JFADMO CCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001293096435 1065746301 /nfs/dbraw/zinc/74/63/01/1065746301.db2.gz QZSXPZCKDNNUNE-QGZVFWFLSA-N 1 1 474.656 2.742 20 0 JFADMO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293096518 1065746627 /nfs/dbraw/zinc/74/66/27/1065746627.db2.gz UAEJGJXUXOULSY-QUCCMNQESA-N 1 1 462.589 2.849 20 0 JFADMO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293096517 1065746756 /nfs/dbraw/zinc/74/67/56/1065746756.db2.gz UAEJGJXUXOULSY-ICSRJNTNSA-N 1 1 462.589 2.849 20 0 JFADMO CC(C)c1nc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nn1-c1cccc(F)c1 ZINC001293110945 1065756486 /nfs/dbraw/zinc/75/64/86/1065756486.db2.gz FSQLXKHUBXLTFV-UHFFFAOYSA-N 1 1 456.566 2.546 20 0 JFADMO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001293120327 1065769725 /nfs/dbraw/zinc/76/97/25/1065769725.db2.gz QPEILJPNDFKPCU-HSZRJFAPSA-N 1 1 473.710 2.877 20 0 JFADMO CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001293123593 1065776328 /nfs/dbraw/zinc/77/63/28/1065776328.db2.gz JYCXJPKXKAHIEW-UHFFFAOYSA-N 1 1 496.607 2.673 20 0 JFADMO CCc1nnc(N2CCN(Cc3cc(F)ccc3OC)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001293128023 1065779182 /nfs/dbraw/zinc/77/91/82/1065779182.db2.gz UQCWBDPCCXVONX-QFIPXVFZSA-N 1 1 474.625 2.667 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129967 1065780523 /nfs/dbraw/zinc/78/05/23/1065780523.db2.gz CROFBXMZBZEPBH-CPJSRVTESA-N 1 1 491.080 2.633 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129969 1065781010 /nfs/dbraw/zinc/78/10/10/1065781010.db2.gz CROFBXMZBZEPBH-NLFFAJNJSA-N 1 1 491.080 2.633 20 0 JFADMO CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(OC)c(OC)c1OC ZINC001293130826 1065782294 /nfs/dbraw/zinc/78/22/94/1065782294.db2.gz KFMCBRYEJVGNAW-BGYRXZFFSA-N 1 1 486.661 2.909 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131240 1065782670 /nfs/dbraw/zinc/78/26/70/1065782670.db2.gz NEKUPRDGODHMLK-JOCHJYFZSA-N 1 1 462.589 2.593 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293131340 1065783650 /nfs/dbraw/zinc/78/36/50/1065783650.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131340 1065783659 /nfs/dbraw/zinc/78/36/59/1065783659.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 1 1 475.726 2.726 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132386 1065785044 /nfs/dbraw/zinc/78/50/44/1065785044.db2.gz VZMOOWKFZGNSJT-VXKWHMMOSA-N 1 1 486.661 2.548 20 0 JFADMO CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132387 1065785164 /nfs/dbraw/zinc/78/51/64/1065785164.db2.gz VZMOOWKFZGNSJT-YADHBBJMSA-N 1 1 486.661 2.548 20 0 JFADMO COC(=O)Cc1c2ccccc2[nH]c1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001293138725 1065789236 /nfs/dbraw/zinc/78/92/36/1065789236.db2.gz ZTWJBVCFZOTJNL-UHFFFAOYSA-N 1 1 450.539 2.643 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H](C)CC)n3CC[N@@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184113 1065806093 /nfs/dbraw/zinc/80/60/93/1065806093.db2.gz CCKMZXFCVSTKCV-OALUTQOASA-N 1 1 474.654 2.731 20 0 JFADMO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H](C)CC)n3CC[N@H+]3CCOCC3(C)C)CC2)n1 ZINC001293184113 1065806112 /nfs/dbraw/zinc/80/61/12/1065806112.db2.gz CCKMZXFCVSTKCV-OALUTQOASA-N 1 1 474.654 2.731 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@H+](CC)C(C)C)CC2)n1 ZINC001293207042 1065833669 /nfs/dbraw/zinc/83/36/69/1065833669.db2.gz FPNMUXBJMAKTPI-SFHVURJKSA-N 1 1 462.668 2.643 20 0 JFADMO CCc1nsc(N2CCCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](CC)C(C)C)CC2)n1 ZINC001293208675 1065840308 /nfs/dbraw/zinc/84/03/08/1065840308.db2.gz QQAQEUHZKSQIDO-GOSISDBHSA-N 1 1 462.668 2.991 20 0 JFADMO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)n1 ZINC001293209147 1065843012 /nfs/dbraw/zinc/84/30/12/1065843012.db2.gz VWHSFCMIWHAHIL-IBGZPJMESA-N 1 1 476.695 2.574 20 0 JFADMO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210315 1065845971 /nfs/dbraw/zinc/84/59/71/1065845971.db2.gz BHXQKCOJUMCHMD-OXJNMPFZSA-N 1 1 453.414 2.883 20 0 JFADMO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210315 1065845982 /nfs/dbraw/zinc/84/59/82/1065845982.db2.gz BHXQKCOJUMCHMD-OXJNMPFZSA-N 1 1 453.414 2.883 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001293214835 1065848643 /nfs/dbraw/zinc/84/86/43/1065848643.db2.gz CORIIPLHJXKRQL-HMXCVIKNSA-N 1 1 488.608 2.629 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001293216341 1065854738 /nfs/dbraw/zinc/85/47/38/1065854738.db2.gz HFRMPKJJQXIMDQ-UNMCSNQZSA-N 1 1 481.645 2.982 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293219631 1065867188 /nfs/dbraw/zinc/86/71/88/1065867188.db2.gz WWCKNUSKPZBDQG-QFIPXVFZSA-N 1 1 481.689 2.983 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293219631 1065867196 /nfs/dbraw/zinc/86/71/96/1065867196.db2.gz WWCKNUSKPZBDQG-QFIPXVFZSA-N 1 1 481.689 2.983 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293219631 1065867207 /nfs/dbraw/zinc/86/72/07/1065867207.db2.gz WWCKNUSKPZBDQG-QFIPXVFZSA-N 1 1 481.689 2.983 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001293219930 1065868133 /nfs/dbraw/zinc/86/81/33/1065868133.db2.gz XXQCRGAPAFEMMK-JSGCOSHPSA-N 1 1 467.437 2.967 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+](CC)C1CC1 ZINC001293241758 1065901715 /nfs/dbraw/zinc/90/17/15/1065901715.db2.gz FUTFKPSIPGSBCD-IBGZPJMESA-N 1 1 491.434 2.819 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+](CC)C1CC1 ZINC001293241759 1065901763 /nfs/dbraw/zinc/90/17/63/1065901763.db2.gz FUTFKPSIPGSBCD-LJQANCHMSA-N 1 1 491.434 2.819 20 0 JFADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001293244065 1065907851 /nfs/dbraw/zinc/90/78/51/1065907851.db2.gz VIILAMVNJJREQF-JTHBVZDNSA-N 1 1 484.645 2.690 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCCCn1cc[nH+]c1C ZINC001293246307 1065911301 /nfs/dbraw/zinc/91/13/01/1065911301.db2.gz ILGWITDHPFZOFO-NRFANRHFSA-N 1 1 451.575 2.866 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@H+]1CCC[C@H]1C ZINC001293248401 1065914465 /nfs/dbraw/zinc/91/44/65/1065914465.db2.gz ZZRNONPQYBRCCC-MSOLQXFVSA-N 1 1 458.632 2.778 20 0 JFADMO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@H+]1CCC[C@@H]1C ZINC001293248403 1065914476 /nfs/dbraw/zinc/91/44/76/1065914476.db2.gz ZZRNONPQYBRCCC-ROUUACIJSA-N 1 1 458.632 2.778 20 0 JFADMO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293250076 1065915142 /nfs/dbraw/zinc/91/51/42/1065915142.db2.gz FTGHBTREXHLSGL-UXHICEINSA-N 1 1 454.623 2.578 20 0 JFADMO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001293253406 1065917778 /nfs/dbraw/zinc/91/77/78/1065917778.db2.gz UNKGOLFTCAGGSY-SIKLNZKXSA-N 1 1 454.619 2.922 20 0 JFADMO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001293253340 1065918033 /nfs/dbraw/zinc/91/80/33/1065918033.db2.gz LFMOPIAVWCMZEN-OAHLLOKOSA-N 1 1 452.477 2.667 20 0 JFADMO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293253340 1065918048 /nfs/dbraw/zinc/91/80/48/1065918048.db2.gz LFMOPIAVWCMZEN-OAHLLOKOSA-N 1 1 452.477 2.667 20 0 JFADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C1CCCCC1 ZINC001293272888 1065929522 /nfs/dbraw/zinc/92/95/22/1065929522.db2.gz NIOSNGZXZRQBAS-HMXCVIKNSA-N 1 1 482.695 2.500 20 0 JFADMO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@@H+](C)C(C)C ZINC001293337550 1065955065 /nfs/dbraw/zinc/95/50/65/1065955065.db2.gz YRXGPIIQUGMSRL-WOJBJXKFSA-N 1 1 482.695 2.500 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[nH+]1 ZINC001293340237 1065956036 /nfs/dbraw/zinc/95/60/36/1065956036.db2.gz AZBQYJXBRNVRQN-SFHVURJKSA-N 1 1 459.568 2.818 20 0 JFADMO Cc1cccc(NC[C@H]2CCCN2C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)[nH+]1 ZINC001293340264 1065956129 /nfs/dbraw/zinc/95/61/29/1065956129.db2.gz BQUDHYHHDBWZHK-HZPDHXFCSA-N 1 1 451.980 2.598 20 0 JFADMO Cc1cccc(NC[C@@H]2CCCN2C(=O)CN2C(=O)COc3cc(Br)ccc32)[nH+]1 ZINC001293342736 1065956753 /nfs/dbraw/zinc/95/67/53/1065956753.db2.gz VSIGLTBABLXREZ-INIZCTEOSA-N 1 1 459.344 2.981 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293362531 1065966402 /nfs/dbraw/zinc/96/64/02/1065966402.db2.gz DRXTWSNKXMMLMT-VQTJNVASSA-N 1 1 478.663 2.877 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001293364314 1065968963 /nfs/dbraw/zinc/96/89/63/1065968963.db2.gz DRQFEQMTGKZSPM-NRFANRHFSA-N 1 1 471.654 2.527 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293365103 1065969791 /nfs/dbraw/zinc/96/97/91/1065969791.db2.gz JTABOKKVUOVGQA-OALUTQOASA-N 1 1 470.618 2.894 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369282 1065972561 /nfs/dbraw/zinc/97/25/61/1065972561.db2.gz CXVOWFSWVCCMMW-WOJBJXKFSA-N 1 1 461.655 2.677 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001293369514 1065973037 /nfs/dbraw/zinc/97/30/37/1065973037.db2.gz HJJBNNMJZBJUGC-WRDWMWDCSA-N 1 1 472.659 2.868 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293371360 1065974341 /nfs/dbraw/zinc/97/43/41/1065974341.db2.gz FINOHJTWYIJSNU-GGAORHGYSA-N 1 1 453.635 2.833 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372540 1065975888 /nfs/dbraw/zinc/97/58/88/1065975888.db2.gz OPQCZWAMJROECV-HBMCJLEFSA-N 1 1 492.665 2.776 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373044 1065976569 /nfs/dbraw/zinc/97/65/69/1065976569.db2.gz MGYVEQLCHGPMNJ-JTHBVZDNSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373039 1065976653 /nfs/dbraw/zinc/97/66/53/1065976653.db2.gz MGYVEQLCHGPMNJ-FYYLOGMGSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 ZINC001293373328 1065977439 /nfs/dbraw/zinc/97/74/39/1065977439.db2.gz NXKIELBQOOCWRF-OAQYLSRUSA-N 1 1 469.634 2.603 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293373552 1065977816 /nfs/dbraw/zinc/97/78/16/1065977816.db2.gz PNPBTYDMIGFZOQ-YADHBBJMSA-N 1 1 489.686 2.960 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001293373840 1065979246 /nfs/dbraw/zinc/97/92/46/1065979246.db2.gz RZDSIDBTYWITDO-ZCNNSNEGSA-N 1 1 489.665 2.987 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001293373848 1065979258 /nfs/dbraw/zinc/97/92/58/1065979258.db2.gz RZUFMGXMVOIBJE-UNMCSNQZSA-N 1 1 459.683 2.530 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001293379459 1065983654 /nfs/dbraw/zinc/98/36/54/1065983654.db2.gz PRNXJUMSAZOSHX-LJQANCHMSA-N 1 1 454.685 2.606 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C ZINC001293379418 1065983750 /nfs/dbraw/zinc/98/37/50/1065983750.db2.gz OXLXJEBWWPGLPU-NRFANRHFSA-N 1 1 461.699 2.831 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293379408 1065983768 /nfs/dbraw/zinc/98/37/68/1065983768.db2.gz OUYYNBKUZHUTOE-DENIHFKCSA-N 1 1 491.658 2.754 20 0 JFADMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001293379645 1065984277 /nfs/dbraw/zinc/98/42/77/1065984277.db2.gz SPVAYZKFQJAFBX-LJQANCHMSA-N 1 1 454.685 2.748 20 0 JFADMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293379863 1065984554 /nfs/dbraw/zinc/98/45/54/1065984554.db2.gz VBFLACCMIASPMA-NVQXNPDNSA-N 1 1 490.693 2.936 20 0 JFADMO CC[C@H]1CCCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@@H+](C)CCOC)C1 ZINC001293387799 1065988528 /nfs/dbraw/zinc/98/85/28/1065988528.db2.gz WZSUJYLLWXEYFU-IBGZPJMESA-N 1 1 477.679 2.751 20 0 JFADMO CC[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293388144 1065989453 /nfs/dbraw/zinc/98/94/53/1065989453.db2.gz XJFQKVGGXMUZFN-PMACEKPBSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293388144 1065989461 /nfs/dbraw/zinc/98/94/61/1065989461.db2.gz XJFQKVGGXMUZFN-PMACEKPBSA-N 1 1 490.674 2.543 20 0 JFADMO CC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001293398634 1065992711 /nfs/dbraw/zinc/99/27/11/1065992711.db2.gz DBWPGKMNTIFZKV-QHAWAJNXSA-N 1 1 482.695 2.502 20 0 JFADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407937 1065997320 /nfs/dbraw/zinc/99/73/20/1065997320.db2.gz PVCMXVGHSHDGKB-XKGZKEIXSA-N 1 1 452.521 2.733 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001293455602 1066012506 /nfs/dbraw/zinc/01/25/06/1066012506.db2.gz PBKKZVZRTWLUFH-GBESFXJTSA-N 1 1 460.648 2.571 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC001293457088 1066013735 /nfs/dbraw/zinc/01/37/35/1066013735.db2.gz SHRCZJWQDJOXJV-TZBSWOFLSA-N 1 1 462.683 2.829 20 0 JFADMO CC[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@@H+](C)CCOC)C1 ZINC001293482022 1066020288 /nfs/dbraw/zinc/02/02/88/1066020288.db2.gz BPWBCMGTNRMGFT-WOJBJXKFSA-N 1 1 480.654 2.791 20 0 JFADMO CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001293485548 1066022298 /nfs/dbraw/zinc/02/22/98/1066022298.db2.gz RSTVWKYKCUFYIE-JOCHJYFZSA-N 1 1 496.722 2.892 20 0 JFADMO CCC1CCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001293490079 1066025059 /nfs/dbraw/zinc/02/50/59/1066025059.db2.gz XUPRZBYNIJMCLM-JOCHJYFZSA-N 1 1 453.635 2.833 20 0 JFADMO CC1CCC([NH+]2CCN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CC2)CC1 ZINC001293496137 1066025846 /nfs/dbraw/zinc/02/58/46/1066025846.db2.gz NUPNWTASQHLXMC-UHFFFAOYSA-N 1 1 457.687 2.822 20 0 JFADMO CC1CCC([NH+]2CCN(C(=O)C3([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001293497178 1066026516 /nfs/dbraw/zinc/02/65/16/1066026516.db2.gz ZOOPZPMWCQCSGI-HWWFWOIRSA-N 1 1 455.665 2.858 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(CCCCC3)O2)CC[N@H+]1CCOC ZINC001293506704 1066030679 /nfs/dbraw/zinc/03/06/79/1066030679.db2.gz FVHQRXZGVTUOPP-SFTDATJTSA-N 1 1 476.666 2.845 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC2(F)F)CC[N@H+]1CCOC ZINC001293510108 1066035019 /nfs/dbraw/zinc/03/50/19/1066035019.db2.gz PQFKTJZILWMKFQ-RTBURBONSA-N 1 1 468.593 2.887 20 0 JFADMO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)C[C@@H]1[NH+]1CCOCC1 ZINC001293510119 1066035189 /nfs/dbraw/zinc/03/51/89/1066035189.db2.gz PUIZLDODCCGPKD-MOPGFXCFSA-N 1 1 460.648 2.576 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(F)c(F)c2)CC[N@H+]1CCOC ZINC001293510499 1066035931 /nfs/dbraw/zinc/03/59/31/1066035931.db2.gz PDCOKDOTVITVSA-IBGZPJMESA-N 1 1 499.566 2.993 20 0 JFADMO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC001293510637 1066036280 /nfs/dbraw/zinc/03/62/80/1066036280.db2.gz UBDDDJNMSZLFFY-RXVVDRJESA-N 1 1 475.037 2.859 20 0 JFADMO CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CCN1CCOC ZINC001293520553 1066042149 /nfs/dbraw/zinc/04/21/49/1066042149.db2.gz XXZHWBVQCVWPJV-QHCPKHFHSA-N 1 1 498.720 2.708 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)CC)CC[N@H+]1CCOC ZINC001293530698 1066050336 /nfs/dbraw/zinc/05/03/36/1066050336.db2.gz HBXCXTWVQAGYGF-LJQANCHMSA-N 1 1 493.450 2.733 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001293537235 1066054309 /nfs/dbraw/zinc/05/43/09/1066054309.db2.gz IUIROEIEZKLFTG-MSOLQXFVSA-N 1 1 481.439 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCN(CC)CC2)C[C@H](C)O1 ZINC001293540121 1066059239 /nfs/dbraw/zinc/05/92/39/1066059239.db2.gz LXEXICBVLCOJCF-JAXLGGSGSA-N 1 1 486.661 2.992 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1[NH+]1CCOCC1 ZINC001293549276 1066065170 /nfs/dbraw/zinc/06/51/70/1066065170.db2.gz JKWDBKXVJXXKLV-YLJYHZDGSA-N 1 1 475.037 2.918 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(NC(N)=O)cc2)CC[N@H+]1CCOC ZINC001293550099 1066065987 /nfs/dbraw/zinc/06/59/87/1066065987.db2.gz UNLAYXYROCKPQN-FQEVSTJZSA-N 1 1 467.574 2.932 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ncnn2C(C)(C)C)CC[N@H+]1CCOC ZINC001293550499 1066066234 /nfs/dbraw/zinc/06/62/34/1066066234.db2.gz XWOFYGHNMHQCQG-SFHVURJKSA-N 1 1 456.595 2.788 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCOC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293558774 1066072525 /nfs/dbraw/zinc/07/25/25/1066072525.db2.gz SFQKCSQJBBHVEO-FPOVZHCZSA-N 1 1 473.618 2.934 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](C)C(C)C)CCN1CCOC ZINC001293558713 1066072588 /nfs/dbraw/zinc/07/25/88/1066072588.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 1 1 458.607 2.561 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)C(C)C)CCN1CCOC ZINC001293558713 1066072595 /nfs/dbraw/zinc/07/25/95/1066072595.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 1 1 458.607 2.561 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001293559481 1066073779 /nfs/dbraw/zinc/07/37/79/1066073779.db2.gz YJGQLCIFNBLKEB-MJGOQNOKSA-N 1 1 495.571 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CCOCC2)CC[N@H+]1CCOC ZINC001293559596 1066074135 /nfs/dbraw/zinc/07/41/35/1066074135.db2.gz YQHDCUCBNQPAHH-OAQYLSRUSA-N 1 1 473.618 2.936 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293566560 1066079652 /nfs/dbraw/zinc/07/96/52/1066079652.db2.gz VFELOQPTMNKGDK-ROUUACIJSA-N 1 1 494.434 2.670 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2C[C@H]2COCCO2)CC[N@H+]1CCOC ZINC001293566559 1066079814 /nfs/dbraw/zinc/07/98/14/1066079814.db2.gz VFELOQPTMNKGDK-MSOLQXFVSA-N 1 1 494.434 2.670 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCNC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293567211 1066080606 /nfs/dbraw/zinc/08/06/06/1066080606.db2.gz YLHZRHTXHLEFIJ-UNMCSNQZSA-N 1 1 468.646 2.963 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC[N@H+]1CCOC ZINC001293568770 1066081378 /nfs/dbraw/zinc/08/13/78/1066081378.db2.gz SAUDGAPPVOSYOL-AEFFLSMTSA-N 1 1 456.513 2.855 20 0 JFADMO CC[C@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N(C)Cc2ccccc2)CC[N@H+]1CCOC ZINC001293570155 1066082258 /nfs/dbraw/zinc/08/22/58/1066082258.db2.gz AIBMBJUUTISTQE-QHCPKHFHSA-N 1 1 477.613 2.546 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2c(C)noc2C)CC[N@H+]1CCOC ZINC001293577788 1066088477 /nfs/dbraw/zinc/08/84/77/1066088477.db2.gz XZBDJECOQJDQOE-VQIMIIECSA-N 1 1 454.579 2.691 20 0 JFADMO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293579491 1066089725 /nfs/dbraw/zinc/08/97/25/1066089725.db2.gz RVIZKAABWOUSAB-GOSISDBHSA-N 1 1 456.620 2.598 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC[N@H+]1CCOC ZINC001293582218 1066091600 /nfs/dbraw/zinc/09/16/00/1066091600.db2.gz IECXLOKFCAKJPF-PZJWPPBQSA-N 1 1 462.639 2.516 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@H+]1CCOC ZINC001293583202 1066092655 /nfs/dbraw/zinc/09/26/55/1066092655.db2.gz NFZCUYLPEGQLTQ-RBUKOAKNSA-N 1 1 492.571 2.734 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@H+]1CCOC ZINC001293584054 1066093615 /nfs/dbraw/zinc/09/36/15/1066093615.db2.gz KYGBIKWXECYBFB-LEWJYISDSA-N 1 1 472.609 2.893 20 0 JFADMO CC[C@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CCN1CCOC ZINC001293584160 1066093708 /nfs/dbraw/zinc/09/37/08/1066093708.db2.gz TZXIVVBATKOLFT-FQEVSTJZSA-N 1 1 450.697 2.920 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)CCN1CCOC ZINC001293593696 1066099622 /nfs/dbraw/zinc/09/96/22/1066099622.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CCN1CCOC ZINC001293593696 1066099634 /nfs/dbraw/zinc/09/96/34/1066099634.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCN1CCOC ZINC001293593695 1066099809 /nfs/dbraw/zinc/09/98/09/1066099809.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1CCOC ZINC001293593695 1066099815 /nfs/dbraw/zinc/09/98/15/1066099815.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 1 1 462.683 2.984 20 0 JFADMO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCc2nnc(C)s2)CC[N@H+]1CCOC ZINC001293594253 1066100950 /nfs/dbraw/zinc/10/09/50/1066100950.db2.gz JDMMXXAUEJEQSC-OALUTQOASA-N 1 1 463.652 2.859 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@H+]1CCOC ZINC001293595463 1066104199 /nfs/dbraw/zinc/10/41/99/1066104199.db2.gz SCIPZVWURIZNLI-FGZHOGPDSA-N 1 1 456.635 2.638 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC[N@H+]1CCOC ZINC001293595757 1066105410 /nfs/dbraw/zinc/10/54/10/1066105410.db2.gz CVXIZYPFPYQECZ-WOJBJXKFSA-N 1 1 492.665 2.934 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1CCOC ZINC001293596105 1066106499 /nfs/dbraw/zinc/10/64/99/1066106499.db2.gz PZYVLRIUEYSPQT-NHCUHLMSSA-N 1 1 494.681 2.976 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(OC)c2)CC[N@H+]1CCOC ZINC001293596856 1066108516 /nfs/dbraw/zinc/10/85/16/1066108516.db2.gz SEJDKOCFXBEWDJ-FCHUYYIVSA-N 1 1 457.619 2.970 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H](C)O1 ZINC001293600744 1066117509 /nfs/dbraw/zinc/11/75/09/1066117509.db2.gz SJWGTXBLCNPEPQ-PVIWCNJMSA-N 1 1 481.707 2.942 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC(C)(C)O)CC[N@H+]1CCOC ZINC001293609106 1066124212 /nfs/dbraw/zinc/12/42/12/1066124212.db2.gz PVWCOBWUGFJJEZ-KRWDZBQOSA-N 1 1 451.562 2.855 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC[N@@H+]1CCOC ZINC001293611514 1066127031 /nfs/dbraw/zinc/12/70/31/1066127031.db2.gz XZICGEQLAXSYDH-CGKQSPDFSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)CC[N@H+]1CCOC ZINC001293611514 1066127033 /nfs/dbraw/zinc/12/70/33/1066127033.db2.gz XZICGEQLAXSYDH-CGKQSPDFSA-N 1 1 480.078 2.980 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293612050 1066127492 /nfs/dbraw/zinc/12/74/92/1066127492.db2.gz JHRDRMBKERZNGL-SIKLNZKXSA-N 1 1 486.636 2.717 20 0 JFADMO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2scnc2C)CC[N@H+]1CCOC ZINC001293612290 1066128381 /nfs/dbraw/zinc/12/83/81/1066128381.db2.gz LRJHHUSKBOIMDP-FQEVSTJZSA-N 1 1 455.632 2.819 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)cc2)CC[N@H+]1CCOC ZINC001293618421 1066134980 /nfs/dbraw/zinc/13/49/80/1066134980.db2.gz WRIQJVXRKJWTMI-JOCHJYFZSA-N 1 1 450.587 2.868 20 0 JFADMO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)nc2)CC[N@H+]1CCOC ZINC001293622348 1066138658 /nfs/dbraw/zinc/13/86/58/1066138658.db2.gz NLRMCJJYYQJXAK-OAQYLSRUSA-N 1 1 484.674 2.690 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCN1CCOC ZINC001293635129 1066150828 /nfs/dbraw/zinc/15/08/28/1066150828.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCN1CCOC ZINC001293635129 1066150831 /nfs/dbraw/zinc/15/08/31/1066150831.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 1 1 486.709 2.807 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCSC2)CC[N@H+]1CCOC ZINC001293636559 1066154290 /nfs/dbraw/zinc/15/42/90/1066154290.db2.gz DGZUVNSXWRIQLQ-RDPSFJRHSA-N 1 1 475.659 2.581 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](F)COC)C[C@H]1[NH+]1CCOCC1 ZINC001293638858 1066156632 /nfs/dbraw/zinc/15/66/32/1066156632.db2.gz MEDWODMJGFPXFA-KCZVDYSFSA-N 1 1 461.582 2.697 20 0 JFADMO CC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)COCCO2)CC[N@H+]1CCOC ZINC001293640839 1066157257 /nfs/dbraw/zinc/15/72/57/1066157257.db2.gz UQTVMRQKSNTLRY-SQJMNOBHSA-N 1 1 473.618 2.518 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC[N@H+]1CCOC ZINC001293645080 1066160553 /nfs/dbraw/zinc/16/05/53/1066160553.db2.gz RTJAZVBHXRSYGP-HXUWFJFHSA-N 1 1 471.581 2.633 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)on2)CC[N@H+]1CCOC ZINC001293645716 1066161340 /nfs/dbraw/zinc/16/13/40/1066161340.db2.gz YIJFHKJGPISCPO-HXUWFJFHSA-N 1 1 458.538 2.888 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)N(C)C)CC[N@H+]1CCOC ZINC001293646057 1066161352 /nfs/dbraw/zinc/16/13/52/1066161352.db2.gz JWZGQCIRCCDYBP-QGZVFWFLSA-N 1 1 499.443 2.799 20 0 JFADMO CC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293647903 1066162447 /nfs/dbraw/zinc/16/24/47/1066162447.db2.gz OEKLMYVBQJYDOX-FYYLOGMGSA-N 1 1 484.645 2.581 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001293652471 1066164282 /nfs/dbraw/zinc/16/42/82/1066164282.db2.gz JCBULJUBTIUUFU-XMTFNYHQSA-N 1 1 461.529 2.644 20 0 JFADMO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)C[C@@H]1[NH+]1CCOCC1 ZINC001293653790 1066166421 /nfs/dbraw/zinc/16/64/21/1066166421.db2.gz QMGJOPIAADEPHP-QLFBSQMISA-N 1 1 464.355 2.664 20 0 JFADMO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@H+]1CCOC ZINC001293653803 1066166708 /nfs/dbraw/zinc/16/67/08/1066166708.db2.gz QQNBWWJVJDKYTL-YZUZCNPQSA-N 1 1 461.582 2.723 20 0 JFADMO CC/C=C\Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293667774 1066170169 /nfs/dbraw/zinc/17/01/69/1066170169.db2.gz QSSXXUJDKPEMCH-XFHJGTJQSA-N 1 1 490.450 2.755 20 0 JFADMO CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001293712432 1066180202 /nfs/dbraw/zinc/18/02/02/1066180202.db2.gz RBPLQUWBAWRZNE-DPVXCJKMSA-N 1 1 452.603 2.587 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(COCC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC001293735041 1066192062 /nfs/dbraw/zinc/19/20/62/1066192062.db2.gz AQFQKFRIJYVQOT-KNQAVFIVSA-N 1 1 470.618 2.758 20 0 JFADMO CCCC(=O)Nc1ccc(Cn2c(CC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC001293736094 1066195039 /nfs/dbraw/zinc/19/50/39/1066195039.db2.gz KIGVYYTWUUMNCS-XXBNENTESA-N 1 1 481.645 2.616 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001293748828 1066220298 /nfs/dbraw/zinc/22/02/98/1066220298.db2.gz AERIHQAVURMFGW-FGZHOGPDSA-N 1 1 481.645 2.614 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC001293748827 1066220344 /nfs/dbraw/zinc/22/03/44/1066220344.db2.gz AERIHQAVURMFGW-FCHUYYIVSA-N 1 1 481.645 2.614 20 0 JFADMO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001293750669 1066225467 /nfs/dbraw/zinc/22/54/67/1066225467.db2.gz MBTHMWCIIGVOID-LNRXMEIDSA-N 1 1 476.666 2.557 20 0 JFADMO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001293756495 1066237363 /nfs/dbraw/zinc/23/73/63/1066237363.db2.gz SAXGCOMRNAILJQ-XJUOHMSHSA-N 1 1 483.661 2.648 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001293760400 1066243549 /nfs/dbraw/zinc/24/35/49/1066243549.db2.gz BKQCGZIJCIAIOK-UHFFFAOYSA-N 1 1 482.633 2.685 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001293763480 1066250313 /nfs/dbraw/zinc/25/03/13/1066250313.db2.gz VCWQSSSCTKYKAE-SFHVURJKSA-N 1 1 484.649 2.541 20 0 JFADMO CCCC(=O)NC1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001293774491 1066266276 /nfs/dbraw/zinc/26/62/76/1066266276.db2.gz NIVDRLJCRNACJZ-UHFFFAOYSA-N 1 1 473.622 2.621 20 0 JFADMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001293787716 1066293186 /nfs/dbraw/zinc/29/31/86/1066293186.db2.gz WGSWRKSEFFDDHY-LJQANCHMSA-N 1 1 456.639 2.686 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001293787957 1066294173 /nfs/dbraw/zinc/29/41/73/1066294173.db2.gz FFOQTGCAAGVXGV-PCCBWWKXSA-N 1 1 487.693 2.872 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001293795370 1066303355 /nfs/dbraw/zinc/30/33/55/1066303355.db2.gz UGDMCEUHZMPWDN-XZOQPEGZSA-N 1 1 468.646 2.874 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001293795370 1066303376 /nfs/dbraw/zinc/30/33/76/1066303376.db2.gz UGDMCEUHZMPWDN-XZOQPEGZSA-N 1 1 468.646 2.874 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001293796527 1066304327 /nfs/dbraw/zinc/30/43/27/1066304327.db2.gz YRGGUPJZYCMTJA-NRFANRHFSA-N 1 1 483.661 2.507 20 0 JFADMO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001293796527 1066304341 /nfs/dbraw/zinc/30/43/41/1066304341.db2.gz YRGGUPJZYCMTJA-NRFANRHFSA-N 1 1 483.661 2.507 20 0 JFADMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@H+]1C ZINC001293806269 1066315896 /nfs/dbraw/zinc/31/58/96/1066315896.db2.gz JUWBZIPNRCFOLS-WMLDXEAASA-N 1 1 457.556 2.624 20 0 JFADMO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293818867 1066326271 /nfs/dbraw/zinc/32/62/71/1066326271.db2.gz ASPTXHOAKTXYCX-JTJYXVOQSA-N 1 1 460.667 2.866 20 0 JFADMO CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293824953 1066333714 /nfs/dbraw/zinc/33/37/14/1066333714.db2.gz YJBIMMKSICNDQS-UQBPGWFLSA-N 1 1 476.616 2.914 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001293856974 1066364667 /nfs/dbraw/zinc/36/46/67/1066364667.db2.gz OZSFQGMZLCZGGP-SFTDATJTSA-N 1 1 478.645 2.942 20 0 JFADMO O=C(/C=C\Sc1cc(F)ccc1F)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001293860690 1066368943 /nfs/dbraw/zinc/36/89/43/1066368943.db2.gz OFISSECQBAKPIP-UUASQNMZSA-N 1 1 453.555 2.648 20 0 JFADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)[C@H]1c1cccs1 ZINC001293863530 1066374501 /nfs/dbraw/zinc/37/45/01/1066374501.db2.gz DFEHIWOMRVATCQ-YNQURBJZSA-N 1 1 459.587 2.591 20 0 JFADMO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001293865423 1066375853 /nfs/dbraw/zinc/37/58/53/1066375853.db2.gz UEMHULIMDZUVMV-XJUOHMSHSA-N 1 1 495.672 2.882 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293877659 1066387096 /nfs/dbraw/zinc/38/70/96/1066387096.db2.gz QNGVLOTYIANVNF-HXUWFJFHSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001293877659 1066387111 /nfs/dbraw/zinc/38/71/11/1066387111.db2.gz QNGVLOTYIANVNF-HXUWFJFHSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001293877659 1066387122 /nfs/dbraw/zinc/38/71/22/1066387122.db2.gz QNGVLOTYIANVNF-HXUWFJFHSA-N 1 1 480.665 2.819 20 0 JFADMO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001293933798 1066413401 /nfs/dbraw/zinc/41/34/01/1066413401.db2.gz TWTQKHCXYMFUKO-PCCBWWKXSA-N 1 1 473.666 2.520 20 0 JFADMO CCC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)OC ZINC001293969823 1066471393 /nfs/dbraw/zinc/47/13/93/1066471393.db2.gz YQEZNCKPZIGHDJ-HXUWFJFHSA-N 1 1 454.623 2.771 20 0 JFADMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001293981498 1066484999 /nfs/dbraw/zinc/48/49/99/1066484999.db2.gz DBEKLZFDNXJTKL-XMMPIXPASA-N 1 1 451.596 2.686 20 0 JFADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001293982767 1066487835 /nfs/dbraw/zinc/48/78/35/1066487835.db2.gz WCNALDZKLFTSEW-QFDNUGPTSA-N 1 1 456.546 2.606 20 0 JFADMO CCCC(O)(CCC)Cn1c(Cc2ccccn2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294007722 1066506995 /nfs/dbraw/zinc/50/69/95/1066506995.db2.gz XQBFTYRHLTVWDB-URXFXBBRSA-N 1 1 497.688 2.584 20 0 JFADMO CCCC(O)(CCC)Cn1c(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001294012972 1066508500 /nfs/dbraw/zinc/50/85/00/1066508500.db2.gz QKSRYZZJCNXRTK-FPOVZHCZSA-N 1 1 462.683 2.896 20 0 JFADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001294050816 1066523132 /nfs/dbraw/zinc/52/31/32/1066523132.db2.gz PVORQHSRTPXPAN-HNNXBMFYSA-N 1 1 451.511 2.586 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001294054493 1066526701 /nfs/dbraw/zinc/52/67/01/1066526701.db2.gz IBEAHHLLDVBGME-HXUWFJFHSA-N 1 1 460.648 2.869 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC[N@H+]1CCOC ZINC001294054764 1066527191 /nfs/dbraw/zinc/52/71/91/1066527191.db2.gz NJKRCANXOCNDKP-LEWJYISDSA-N 1 1 484.645 2.920 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)CC[N@H+]1CCOC ZINC001294054686 1066527244 /nfs/dbraw/zinc/52/72/44/1066527244.db2.gz LTVJNMLRPRZKQH-GOSISDBHSA-N 1 1 452.669 2.593 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC[N@H+]1CCOC ZINC001294054767 1066527560 /nfs/dbraw/zinc/52/75/60/1066527560.db2.gz NJKRCANXOCNDKP-SFTDATJTSA-N 1 1 484.645 2.920 20 0 JFADMO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC[N@H+]1CCOC ZINC001294056167 1066530049 /nfs/dbraw/zinc/53/00/49/1066530049.db2.gz ZNBLRUPIHCGQOW-QFIPXVFZSA-N 1 1 472.609 2.833 20 0 JFADMO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC[N@H+]1CCOC ZINC001294058530 1066531133 /nfs/dbraw/zinc/53/11/33/1066531133.db2.gz RGFSVZZVVLWGHR-RTBURBONSA-N 1 1 476.588 2.602 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001294070019 1066540362 /nfs/dbraw/zinc/54/03/62/1066540362.db2.gz USXWRLLPYZUHNQ-OAQYLSRUSA-N 1 1 492.571 2.716 20 0 JFADMO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC[N@H+]1CCOC ZINC001294072670 1066542136 /nfs/dbraw/zinc/54/21/36/1066542136.db2.gz HTVXJNBBPDBOSF-OAQYLSRUSA-N 1 1 465.602 2.507 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CC[N@H+]1CCOC ZINC001294075543 1066544696 /nfs/dbraw/zinc/54/46/96/1066544696.db2.gz AVUMUKJOBVNCSI-IBGZPJMESA-N 1 1 470.622 2.950 20 0 JFADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294077787 1066546967 /nfs/dbraw/zinc/54/69/67/1066546967.db2.gz MHYCGOYCROWOGG-CYBMUJFWSA-N 1 1 455.930 2.827 20 0 JFADMO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@H+]1CCOC ZINC001294077881 1066547301 /nfs/dbraw/zinc/54/73/01/1066547301.db2.gz TVMXGLCEBIBGAT-UGKGYDQZSA-N 1 1 465.602 2.774 20 0 JFADMO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC001294086054 1066556758 /nfs/dbraw/zinc/55/67/58/1066556758.db2.gz WEIXIRNHFSNATO-MSOLQXFVSA-N 1 1 495.550 2.628 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC[N@H+]1CCOC ZINC001294089496 1066560537 /nfs/dbraw/zinc/56/05/37/1066560537.db2.gz BLFAFOBCGYRIOB-IQGLISFBSA-N 1 1 490.599 2.563 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC[N@H+]1CCOC ZINC001294090916 1066561816 /nfs/dbraw/zinc/56/18/16/1066561816.db2.gz IZERHQKARPSISV-FGZHOGPDSA-N 1 1 478.037 2.875 20 0 JFADMO CCC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC[N@H+]1CCOC ZINC001294091923 1066562718 /nfs/dbraw/zinc/56/27/18/1066562718.db2.gz PYVUWKOTKAESOR-WOJBJXKFSA-N 1 1 464.561 2.625 20 0 JFADMO